diff --git a/src/ontology/imports/chebi_import.obo b/src/ontology/imports/chebi_import.obo index f09c863803..cb57ee8c09 100644 --- a/src/ontology/imports/chebi_import.obo +++ b/src/ontology/imports/chebi_import.obo @@ -2,6 +2,12 @@ format-version: 1.2 ontology: go/imports/chebi_import property_value: http://purl.org/dc/elements/1.1/source http://purl.obolibrary.org/obo/go/extensions/bio-chebi.owl +[Term] +id: CHEBI:100 +name: (-)-medicarpin +is_a: CHEBI:16114 ! medicarpin +relationship: has_role CHEBI:76924 ! plant metabolite + [Term] id: CHEBI:10003 name: ribostamycin sulfate @@ -22,6 +28,22 @@ relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor +[Term] +id: CHEBI:10036 +name: wax ester +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:73702 ! wax + +[Term] +id: CHEBI:10043 +name: wogonin +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38686 ! dihydroxyflavone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:48422 ! angiogenesis inhibitor +relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + [Term] id: CHEBI:10048 name: XDP @@ -37,6 +59,12 @@ is_a: CHEBI:53012 ! xanthosine 5'-phosphate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +[Term] +id: CHEBI:10115 +name: zingiberene +is_a: CHEBI:33643 ! cycloalkene +is_a: CHEBI:35189 ! sesquiterpene + [Term] id: CHEBI:10119 name: ziprasidone @@ -56,12 +84,49 @@ id: CHEBI:1015 name: 2-aminobenzenesulfonic acid is_a: CHEBI:33557 ! aminobenzenesulfonic acid +[Term] +id: CHEBI:10213 +name: alpha-amyrin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:10216 +name: cedr-8-ene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:35990 ! bridged compound +relationship: has_role CHEBI:25212 ! metabolite + [Term] id: CHEBI:10221 name: alpha-copaene is_a: CHEBI:35189 ! sesquiterpene is_a: CHEBI:35990 ! bridged compound +[Term] +id: CHEBI:10223 +name: alpha-cryptoxanthin +is_a: CHEBI:23045 ! carotenol + +[Term] +id: CHEBI:10275 +name: (9Z,11E,13E)-octadeca-9,11,13-trienoic acid +is_a: CHEBI:38382 ! 9,11,13-octadecatrienoic acid + +[Term] +id: CHEBI:10278 +name: alpha-eudesmol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:62508 ! eudesmane sesquiterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:10280 +name: (E,E)-alpha-farnesene +is_a: CHEBI:39236 ! alpha-farnesene + [Term] id: CHEBI:10283 name: 2-hydroxy fatty acid @@ -76,6 +141,13 @@ is_a: CHEBI:47917 ! 1-ribosylbenzimidazole relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +[Term] +id: CHEBI:10334 +name: alpha-terpinene +is_a: CHEBI:35187 ! monoterpene +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + [Term] id: CHEBI:10352 name: beta-amyrin @@ -84,23 +156,135 @@ is_a: CHEBI:35681 ! secondary alcohol relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76956 ! Aspergillus metabolite +[Term] +id: CHEBI:10357 +name: (-)-beta-caryophyllene +is_a: CHEBI:63191 ! beta-caryophyllene +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug +relationship: has_role CHEBI:48318 ! fragrance + +[Term] +id: CHEBI:10359 +name: (-)-beta-chamigrene +is_a: CHEBI:61744 ! beta-chamigrene + +[Term] +id: CHEBI:10362 +name: beta-cryptoxanthin +is_a: CHEBI:23045 ! carotenol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:67200 ! provitamin A +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:10363 +name: beta-cubebene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:10365 +name: (5S)-3-acetyl-4-hydroxy-5-\{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one +is_a: CHEBI:22838 ! beta-cyclopiazonic acid + +[Term] +id: CHEBI:104120 +name: alpha-methylene gamma-butyrolactone +is_a: CHEBI:22950 ! butan-4-olide +relationship: has_role CHEBI:49201 ! anti-ulcer drug +relationship: has_role CHEBI:55324 ! gastrointestinal drug + [Term] id: CHEBI:10415 name: beta-endorphin is_a: CHEBI:15841 ! polypeptide relationship: has_role CHEBI:25512 ! neurotransmitter +[Term] +id: CHEBI:10417 +name: beta-eudesmol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:62508 ! eudesmane sesquiterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:10418 +name: trans-beta-farnesene +is_a: CHEBI:39241 ! beta-farnesene +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:72575 ! alarm pheromone + +[Term] +id: CHEBI:10436 +name: beta-ocimene +is_a: CHEBI:87751 ! ocimene + +[Term] +id: CHEBI:10440 +name: (-)-beta-santalene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:10443 +name: (+)-beta-selinene +is_a: CHEBI:49276 ! beta-selinene + +[Term] +id: CHEBI:10525 +name: dTDP-beta-L-mycarose +is_a: CHEBI:23557 ! dTDP-sugar +relationship: has_role CHEBI:25212 ! metabolite + [Term] id: CHEBI:10545 name: electron is_a: CHEBI:36338 ! lepton +[Term] +id: CHEBI:10576 +name: gamma-pentachlorocyclohexene +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:10577 +name: gamma-terpinene +is_a: CHEBI:33642 ! cyclic olefin +is_a: CHEBI:33664 ! monocyclic hydrocarbon +is_a: CHEBI:35187 ! monoterpene +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:1060 +name: 2-dehydro-3-deoxy-D-arabinonic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33753 ! pentonic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid + [Term] id: CHEBI:10615 name: omega-hydroxy fatty acid is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:24654 ! hydroxy fatty acid +[Term] +id: CHEBI:106304 +name: sphingomyelin d18:1/16:0 +is_a: CHEBI:17636 ! sphingomyelin d18:1 +is_a: CHEBI:72514 ! sphingomyelin 34:1 + [Term] id: CHEBI:10642 name: scyllo-inositol @@ -108,39704 +292,136318 @@ is_a: CHEBI:24848 ! inositol relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:10983 -name: (R)-3-hydroxybutyrate -is_a: CHEBI:37054 ! 3-hydroxybutyrate +id: CHEBI:10696 +name: (3S)-3-hydroxy-L-aspartic acid +is_a: CHEBI:48423 ! 3-hydroxy-L-aspartic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:10698 +name: 2-cis,6-trans,10-trans-geranylgeranyl diphosphate +is_a: CHEBI:15831 ! geranylgeranyl diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:11047 -name: (S)-3-hydroxybutyrate -is_a: CHEBI:37054 ! 3-hydroxybutyrate +id: CHEBI:10723 +name: trans-dec-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:11060 -name: (S)-carnitine -is_a: CHEBI:17126 ! carnitine +id: CHEBI:10782 +name: (-)-perillyl alcohol +is_a: CHEBI:15420 ! perillyl alcohol [Term] -id: CHEBI:111511 -name: (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate -relationship: has_role CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:10790 +name: methylenediurea +is_a: CHEBI:47857 ! ureas [Term] -id: CHEBI:11392 -name: 2'-(5-triphosphoribosyl)-3'-dephospho-CoA -is_a: CHEBI:37096 ! adenosine 5'-phosphate +id: CHEBI:10836 +name: 2',3,4,4',6'-pentahydroxychalcone +is_a: CHEBI:23086 ! chalcones [Term] -id: CHEBI:114953 -name: (2S)-2-ammonio-5-\{[iminio(methylamino)methyl]amino}pentanoate -is_a: CHEBI:60251 ! guanidinium ion +id: CHEBI:10956 +name: (E)-cinnamoyl-CoA +is_a: CHEBI:15463 ! cinnamoyl-CoA [Term] -id: CHEBI:11596 -name: 2-hydroxyglutarate(2-) -is_a: CHEBI:132941 ! 2-hydroxyglutarate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:10965 +name: (R)-2,3,4,5-tetrahydrodipicolinate(2-) +is_a: CHEBI:11408 ! 2,3,4,5-tetrahydrodipicolinate(2-) [Term] -id: CHEBI:11614 -name: 2-methylbut-2-enoyl-coenzyme A -is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA -is_a: CHEBI:15469 ! alk-2-enoyl-CoA +id: CHEBI:10970 +name: (R)-2-benzylsuccinyl-CoA +is_a: CHEBI:22746 ! 2-benzylsuccinyl-CoA [Term] -id: CHEBI:11791 -name: 3-deoxy-D-manno-octulosonic acid -is_a: CHEBI:24963 ! ketoaldonic acid +id: CHEBI:10979 +name: (R)-3-[(R)-3-hydroxybutanoyloxy]butanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:11892 -name: N-carbamoyl-beta-alaninate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:10980 +name: (R)-3-(4-hydroxyphenyl)lactate +is_a: CHEBI:36659 ! 3-(4-hydroxyphenyl)lactate + +[Term] +id: CHEBI:10983 +name: (R)-3-hydroxybutyrate +is_a: CHEBI:37054 ! 3-hydroxybutyrate relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:11955 -name: 4-amino-3-hydroxybutanoate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -is_a: CHEBI:71666 ! gamma-amino acid anion +id: CHEBI:10986 +name: (R)-4'-phosphonatopantothenate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:12164 -name: 5-phosphoribosyl diphosphate -is_a: CHEBI:21080 ! ribose diphosphate -is_a: CHEBI:35158 ! ribose bisphosphate +id: CHEBI:11009 +name: (R)-3-phenyllactate +is_a: CHEBI:58314 ! (2R)-2-hydroxy monocarboxylic acid anion +is_a: CHEBI:8100 ! 3-phenyllactate [Term] -id: CHEBI:1230 -name: sophorose -is_a: CHEBI:24405 ! glycosylglucose -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:11010 +name: (R)-phenyllactoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:1269 -name: 2-polyprenylphenol -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:11022 +name: (S)-4-amino-5-oxopentanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:71666 ! gamma-amino acid anion [Term] -id: CHEBI:12777 -name: vitamin A -is_a: CHEBI:26537 ! retinoid -relationship: has_part CHEBI:15367 ! all-trans-retinoic acid -relationship: has_part CHEBI:17336 ! all-trans-retinol -relationship: has_part CHEBI:17898 ! all-trans-retinal -relationship: has_part CHEBI:63410 ! all-trans-retinyl ester -relationship: has_role CHEBI:24020 ! fat-soluble vitamin -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:11041 +name: (S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid +is_a: CHEBI:24780 ! imidazoles [Term] -id: CHEBI:128769 -name: isopentenyl diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:59544 ! phosphoantigen -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:11047 +name: (S)-3-hydroxybutyrate +is_a: CHEBI:37054 ! 3-hydroxybutyrate [Term] -id: CHEBI:12931 -name: D-galactonate -is_a: CHEBI:24148 ! galactonate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:11060 +name: (S)-carnitine +is_a: CHEBI:17126 ! carnitine [Term] -id: CHEBI:12936 -name: D-galactose -is_a: CHEBI:17608 ! D-aldohexose -is_a: CHEBI:28260 ! galactose -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:1107 +name: 2-hexaprenyl-6-hydroxyphenol +is_a: CHEBI:33566 ! catechols [Term] -id: CHEBI:12952 -name: aldehydo-D-galacturonate -is_a: CHEBI:24175 ! galacturonate +id: CHEBI:1109 +name: 2-hexaprenyl-6-methoxyphenol +is_a: CHEBI:62731 ! 2-methoxy-6-(all-trans-polyprenyl)phenol +relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] -id: CHEBI:131367 -name: 3-hydroxy-3-butenoic acid -is_a: CHEBI:1549 ! 3-hydroxymonocarboxylic acid -is_a: CHEBI:33823 ! enol +id: CHEBI:1110 +name: 2-hexaprenylphenol +is_a: CHEBI:1269 ! 2-polyprenylphenol [Term] -id: CHEBI:131401 -name: hexopyranosyl hexopyranoside -is_a: CHEBI:24407 ! glycosyl glycoside +id: CHEBI:111006 +name: maltose 6'-phosphate +is_a: CHEBI:25143 ! maltose phosphate [Term] -id: CHEBI:131429 -name: carcinine -is_a: CHEBI:22823 ! beta-alanine derivative -is_a: CHEBI:24780 ! imidazoles -is_a: CHEBI:29347 ! monocarboxylic acid amide -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:83039 ! crustacean metabolite +id: CHEBI:1113 +name: cis-2-hydroxypenta-2,4-dienoic acid +is_a: CHEBI:18355 ! 2-hydroxypenta-2,4-dienoic acid [Term] -id: CHEBI:131530 -name: pyridoxal(1+) -is_a: CHEBI:50334 ! pyridinium ion +id: CHEBI:111503 +name: validamine 7-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:131533 -name: pyridoxamine(2+) -is_a: CHEBI:50334 ! pyridinium ion +id: CHEBI:111504 +name: validoxylamine A 7'-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:131565 -name: steroid aldehyde -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:35341 ! steroid +id: CHEBI:111505 +name: validoxylamine A(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:131604 -name: Mycoplasma genitalium metabolite -is_a: CHEBI:76969 ! bacterial metabolite +id: CHEBI:111509 +name: alpha-L-colitosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide +is_a: CHEBI:63339 ! deoxy oligosaccharide derivative [Term] -id: CHEBI:131605 -name: dicarboxylic acid monoester(1-) -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:111511 +name: (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75763 ! eukaryotic metabolite [Term] -id: CHEBI:131619 -name: C27-steroid -is_a: CHEBI:35341 ! steroid +id: CHEBI:111519 +name: 2,3-dichloromuconic acid +is_a: CHEBI:38422 ! dichloromuconic acid [Term] -id: CHEBI:131620 -name: C24-steroid -is_a: CHEBI:131657 ! cholane derivative +id: CHEBI:11152 +name: 1,2-didecanoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:131621 -name: C19-steroid -is_a: CHEBI:35341 ! steroid +id: CHEBI:111521 +name: valienone +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:48953 ! cyclohexenones +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:131657 -name: cholane derivative -is_a: CHEBI:35341 ! steroid +id: CHEBI:111522 +name: valienone 7-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:13166 -name: Sec-tRNA(Sec) -is_a: CHEBI:2651 ! alpha-aminoacyl-tRNA +id: CHEBI:111523 +name: validone 7-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:131699 -name: EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor -is_a: CHEBI:38234 ! DNA polymerase inhibitor +id: CHEBI:111542 +name: validone +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:24693 ! hydroxycyclohexanone +is_a: CHEBI:33573 ! tetrol +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:131822 -name: sulfamate -is_a: CHEBI:33554 ! organosulfonate oxoanion +id: CHEBI:111544 +name: 2'-hydroxyrifampicin +is_a: CHEBI:26580 ! rifamycins +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:131858 -name: HETE anion -is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:62937 ! icosanoid anion +id: CHEBI:11173 +name: 1,4-dihydroxy-2-naphthoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:131859 -name: oxo-ETE anion -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:59836 ! oxo fatty acid anion -is_a: CHEBI:62937 ! icosanoid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:111763 +name: N-demethylindolmycin +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:46812 ! 1,3-oxazoles +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:131871 -name: hydroxy polyunsaturated fatty acid anion -is_a: CHEBI:59835 ! hydroxy fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:112106 +name: (R)-3-(indol-3-yl)-2-oxobutyric acid +is_a: CHEBI:28549 ! 3-(indol-3-yl)-2-oxobutyric acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:131878 -name: cholanic acid anion -is_a: CHEBI:36235 ! bile acid anion +id: CHEBI:11222 +name: 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium +is_a: CHEBI:38188 ! pyridinium salt +is_a: CHEBI:38338 ! aminopyrimidine [Term] -id: CHEBI:131906 -name: 4-pyranones -is_a: CHEBI:37963 ! pyranone -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:11230 +name: 1-acylglycerophosphocholine(1+) +is_a: CHEBI:60479 ! lysophosphatidylcholine [Term] -id: CHEBI:131907 -name: 3-pyrones -is_a: CHEBI:37963 ! pyranone -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:112505 +name: 2-amino-3-hydroxy-4-methylbenzoyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:131927 -name: dicarboxylic acids and O-substituted derivatives -is_a: CHEBI:36586 ! carbonyl compound +id: CHEBI:11302 +name: 10-desacetyltaxuyunnanin C +is_a: CHEBI:50367 ! taxane diterpenoid [Term] -id: CHEBI:13193 -name: hydrogen acceptor -is_a: CHEBI:17654 ! electron acceptor +id: CHEBI:11305 +name: 10-hydroxycaprate +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:132124 -name: 1,4-benzoquinones -is_a: CHEBI:22729 ! benzoquinones -is_a: CHEBI:25830 ! p-quinones +id: CHEBI:11320 +name: 13-hydroxydocosanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:132130 -name: hydroxyquinone -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:36141 ! quinone +id: CHEBI:1135 +name: 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] -id: CHEBI:132142 -name: 1,4-naphthoquinones -is_a: CHEBI:25481 ! naphthoquinone -is_a: CHEBI:25830 ! p-quinones +id: CHEBI:11369 +name: 1L-myo-inositol 1,2,3,4,6-pentakisphosphate +is_a: CHEBI:25447 ! myo-inositol pentakisphosphate [Term] -id: CHEBI:132153 -name: hyaluronate -is_a: CHEBI:61469 ! polyanionic polymer -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:11392 +name: 2'-(5-triphosphoribosyl)-3'-dephospho-CoA +is_a: CHEBI:37096 ! adenosine 5'-phosphate [Term] -id: CHEBI:132155 -name: hydroxynaphthoquinone -is_a: CHEBI:132130 ! hydroxyquinone -is_a: CHEBI:25481 ! naphthoquinone +id: CHEBI:11408 +name: 2,3,4,5-tetrahydrodipicolinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:132157 -name: hydroxy-1,4-naphthoquinone -is_a: CHEBI:132142 ! 1,4-naphthoquinones -is_a: CHEBI:132155 ! hydroxynaphthoquinone +id: CHEBI:11412 +name: (2R,3S,4S)-leucocyanidin +is_a: CHEBI:138176 ! (2R,3S,4S)-leucoanthocyanidin +is_a: CHEBI:15758 ! leucocyanidin [Term] -id: CHEBI:132198 -name: pentahydroxyanthraquinone -is_a: CHEBI:37485 ! hydroxyanthraquinones +id: CHEBI:11421 +name: 2,3-dihydrodipicolinate(2-) +is_a: CHEBI:14148 ! dihydrodipicolinate(2-) [Term] -id: CHEBI:132233 -name: 1-phenylpropan-2-amine -is_a: CHEBI:32877 ! primary amine +id: CHEBI:11424 +name: 2,3-dihydroxy-3-methylbutanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:132297 -name: methamphetamine(1+) -is_a: CHEBI:137419 ! secondary ammonium ion +id: CHEBI:11438 +name: 2,4-dichloro-cis,cis-muconate(2-) +is_a: CHEBI:38412 ! 2,4-dichloromuconate(2-) [Term] -id: CHEBI:132362 -name: citrate(4-) -is_a: CHEBI:133748 ! citrate anion +id: CHEBI:11449 +name: 2,5-didehydro-D-gluconate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:132365 -name: EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor -is_a: CHEBI:76902 ! EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor +id: CHEBI:1148 +name: 2-hydroxybutyric acid +is_a: CHEBI:24684 ! hydroxybutyric acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:13248 -name: anilide -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:62733 ! aromatic amide +id: CHEBI:114953 +name: (2S)-2-ammonio-5-\{[iminio(methylamino)methyl]amino}pentanoate +is_a: CHEBI:60251 ! guanidinium ion [Term] -id: CHEBI:132502 -name: fatty acid 18:3 -is_a: CHEBI:73155 ! trienoic fatty acid +id: CHEBI:11502 +name: 2-acylglycerophosphocholine +is_a: CHEBI:60479 ! lysophosphatidylcholine [Term] -id: CHEBI:132539 -name: fatty acid 20:4 -is_a: CHEBI:26208 ! polyunsaturated fatty acid +id: CHEBI:11515 +name: 2-amino-5-formylamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:38337 ! pyrimidone +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:38339 ! formamidopyrimidine [Term] -id: CHEBI:132717 -name: bleaching agent -is_a: CHEBI:33893 ! reagent +id: CHEBI:1156 +name: 2-hydroxyestrone +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:36857 ! 2-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:132742 -name: lysophosphatidic acid -is_a: CHEBI:32957 ! lysophosphatidic acids +id: CHEBI:11561 +name: 2-dehydropantoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] -id: CHEBI:132755 -name: triethanolammonium -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:35225 ! buffer +id: CHEBI:11563 +name: 2-deoxy-alpha-D-ribose 1-phosphate +is_a: CHEBI:28542 ! 2-deoxy-D-ribofuranose 1-phosphate [Term] -id: CHEBI:132917 -name: 2-isopropylmalate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:1157 +name: isethionic acid +is_a: CHEBI:47901 ! alkanesulfonic acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:132941 -name: 2-hydroxyglutarate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:1159 +name: 2-hydroxyethylphosphonic acid +is_a: CHEBI:26069 ! phosphonic acids [Term] -id: CHEBI:132942 -name: quinolinate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:11594 +name: 2-coumarate +is_a: CHEBI:23399 ! coumarate +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:132943 -name: aspartate -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:11596 +name: 2-hydroxyglutarate(2-) +is_a: CHEBI:132941 ! 2-hydroxyglutarate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:132944 -name: octadec-9-enoate -is_a: CHEBI:78049 ! octadecenoate +id: CHEBI:11614 +name: 2-methylbut-2-enoyl-coenzyme A +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15469 ! alk-2-enoyl-CoA [Term] -id: CHEBI:132950 -name: tartrate -is_a: CHEBI:33798 ! tetraric acid anion -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:116314 +name: oleamide +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:132951 -name: maleate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:11641 +name: 2-oxopent-4-enoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:132952 -name: oxalate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:11656 +name: 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid [Term] -id: CHEBI:132988 -name: bradykinin(2+) -is_a: CHEBI:60466 ! peptide zwitterion +id: CHEBI:11684 +name: 3,3',5'-triiodo-L-thyronine +is_a: CHEBI:28774 ! 3,3',5'-triiodothyronine [Term] -id: CHEBI:132989 -name: O-acetylhomoserine zwitterion -is_a: CHEBI:78608 ! alpha-amino acid zwitterion +id: CHEBI:116931 +name: nipecotic acid +is_a: CHEBI:26148 ! piperidinemonocarboxylic acid +is_a: CHEBI:33706 ! beta-amino acid [Term] -id: CHEBI:132992 -name: radiosensitizing agent -is_a: CHEBI:23888 ! drug +id: CHEBI:1171 +name: 2-hydroxypropylphosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:133004 -name: bisbenzylisoquinoline alkaloid -is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +id: CHEBI:11750 +name: 3-sn-phosphatidyl-L-serine +is_a: CHEBI:18303 ! phosphatidyl-L-serine [Term] -id: CHEBI:133011 -name: oxytetracycline zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:1178 +name: (2S)-2-isopropylmalate(2-) +is_a: CHEBI:28107 ! 2-isopropylmalate(2-) [Term] -id: CHEBI:133131 -name: spiro-epoxide -is_a: CHEBI:32955 ! epoxide -is_a: CHEBI:37948 ! oxaspiro compound +id: CHEBI:11791 +name: 3-deoxy-D-manno-octulosonic acid +is_a: CHEBI:24963 ! ketoaldonic acid [Term] -id: CHEBI:133135 -name: chromenochromene -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:11805 +name: 3-hydroxyisobutyrate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:133241 -name: omega-carboxyacyl-CoA(5-) -is_a: CHEBI:58946 ! acyl-CoA oxoanion +id: CHEBI:11807 +name: 5-hydroxy-6-methylpyridine-3,4-dicarboxylate +is_a: CHEBI:36173 ! pyridinedicarboxylate [Term] -id: CHEBI:133291 -name: saturated dicarboxylic acid dianion(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:11812 +name: 3-hydroxy-3-methyl-2-oxobutanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:133292 -name: 3-oxo fatty acid anion -is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion -is_a: CHEBI:59836 ! oxo fatty acid anion +id: CHEBI:11814 +name: 3-hydroxy-3-methylglutaryl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] -id: CHEBI:133294 -name: oxo dicarboxylic acid dianion -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:1184 +name: maleylacetic acid +is_a: CHEBI:19672 ! 4-oxohex-2-enedioic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:133476 -name: hydantoin-5-propionate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:11851 +name: 3-methyl-2-oxobutanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:58955 ! branched-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:133492 -name: polyunsaturated dicarboxylic acid(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:11867 +name: 3-oxo-5beta-cholanate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:133538 -name: L-lysine zwitterion -is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +id: CHEBI:1189 +name: 2-methoxyestrone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:133574 -name: 5-hydroxylysinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:11892 +name: N-carbamoyl-beta-alaninate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:133673 -name: glyphosate(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:11893 +name: 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate +is_a: CHEBI:36235 ! bile acid anion +is_a: CHEBI:47789 ! 7-oxo steroid [Term] -id: CHEBI:133748 -name: citrate anion -is_a: CHEBI:35753 ! tricarboxylic acid anion +id: CHEBI:119 +name: D-synephrine +is_a: CHEBI:29081 ! synephrine [Term] -id: CHEBI:133773 -name: pimelate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:11901 +name: 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:133775 -name: dimethylargininium(1+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:11909 +name: 3beta-hydroxy-5alpha-pregnan-20-one +is_a: CHEBI:50170 ! 3-hydroxy-5alpha-pregnan-20-one [Term] -id: CHEBI:133790 -name: linolenate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:59203 ! straight-chain fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:11935 +name: 4-(beta-D-glucosyloxy)benzoate +is_a: CHEBI:16150 ! benzoate [Term] -id: CHEBI:13389 -name: NAD -is_a: CHEBI:25524 ! NAD(P) -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:11944 +name: 4-(hydroxymethyl)benzenesulfonate +is_a: CHEBI:22713 ! arenesulfonate oxoanion [Term] -id: CHEBI:13390 -name: NAD(P)(+) -is_a: CHEBI:25524 ! NAD(P) +id: CHEBI:11946 +name: 4-(trimethylammonio)but-2-enoate +is_a: CHEBI:22860 ! amino-acid betaine [Term] -id: CHEBI:133917 -name: ochratoxin alpha -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:38758 ! isocoumarins -is_a: CHEBI:38762 ! isochromanes -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite -relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite -relationship: has_role CHEBI:84087 ! human urinary metabolite +id: CHEBI:11951 +name: 4-acetamidobutanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:13392 -name: NAD(P)H -is_a: CHEBI:25524 ! NAD(P) +id: CHEBI:11955 +name: 4-amino-3-hydroxybutanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:71666 ! gamma-amino acid anion [Term] -id: CHEBI:134045 -name: polychlorinated dibenzodioxines and related compounds -is_a: CHEBI:36684 ! organohalogen compound -relationship: has_role CHEBI:77853 ! persistent organic pollutant +id: CHEBI:11972 +name: 4-carboxymethylenebut-2-en-4-olide +is_a: CHEBI:50523 ! butenolide [Term] -id: CHEBI:134179 -name: volatile organic compound -is_a: CHEBI:72695 ! organic molecule +id: CHEBI:11986 +name: 4-fluoro-L-threonine +is_a: CHEBI:24068 ! fluoroamino acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84189 ! L-threonine derivative [Term] -id: CHEBI:134207 -name: methylcytosine -is_a: CHEBI:38338 ! aminopyrimidine +id: CHEBI:11987 +name: 4-formylbenzenesulfonate +is_a: CHEBI:22713 ! arenesulfonate oxoanion [Term] -id: CHEBI:134249 -name: alkanesulfonate oxoanion -is_a: CHEBI:33554 ! organosulfonate oxoanion +id: CHEBI:12040 +name: 4-oxohex-2-enedioate +is_a: CHEBI:36147 ! oxo dicarboxylate [Term] -id: CHEBI:134251 -name: guaiacols -is_a: CHEBI:25235 ! monomethoxybenzene -is_a: CHEBI:33853 ! phenols +id: CHEBI:12060 +name: 5'-deoxy-5'-fluoroadenosine +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:37143 ! organofluorine compound [Term] -id: CHEBI:134256 -name: lipid A (E. coli) -is_a: CHEBI:47040 ! lipid A -is_a: CHEBI:87659 ! dodecanoate ester -is_a: CHEBI:87691 ! tetradecanoate ester -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:12071 +name: 5,10-methylenetetrahydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:67016 ! tetrahydrofolate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] -id: CHEBI:134257 -name: lipid A(4-) (E. coli) -is_a: CHEBI:58712 ! lipid A(4-) +id: CHEBI:12109 +name: 5-aminolevulinate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:134269 -name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one -is_a: CHEBI:23697 ! dichlorobenzene -is_a: CHEBI:25235 ! monomethoxybenzene -is_a: CHEBI:33572 ! resorcinols -is_a: CHEBI:64672 ! differentiation-inducing factor -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:12113 +name: 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion [Term] -id: CHEBI:134344 -name: ergothioneine(1+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:12154 +name: 5-oxohexanoate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion [Term] -id: CHEBI:134361 -name: allylic alcohol -is_a: CHEBI:30879 ! alcohol -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:12164 +name: 5-phosphoribosyl diphosphate +is_a: CHEBI:21080 ! ribose diphosphate +is_a: CHEBI:35158 ! ribose bisphosphate [Term] -id: CHEBI:134394 -name: primary allylic alcohol -is_a: CHEBI:134361 ! allylic alcohol -is_a: CHEBI:15734 ! primary alcohol +id: CHEBI:12194 +name: 6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:12195 ! 6-O-(N-acetyl-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:134397 -name: tertiary allylic alcohol -is_a: CHEBI:134361 ! allylic alcohol -is_a: CHEBI:26878 ! tertiary alcohol +id: CHEBI:12195 +name: 6-O-(N-acetyl-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:15935 ! N-acetyl-D-glucosaminylphosphatidylinositol [Term] -id: CHEBI:134398 -name: D-proline betaine -is_a: CHEBI:22860 ! amino-acid betaine +id: CHEBI:122 +name: (-)-usnic acid +is_a: CHEBI:38319 ! usnic acid +relationship: has_role CHEBI:38317 ! EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor [Term] -id: CHEBI:134416 -name: 3-oxo fatty acid -is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid -is_a: CHEBI:59644 ! oxo fatty acid +id: CHEBI:12266 +name: 8-amino-7-oxononanoate +is_a: CHEBI:35984 ! 7-oxo monocarboxylic acid anion [Term] -id: CHEBI:134531 -name: polyunsaturated dicarboxylic acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:1230 +name: sophorose +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:13488 -name: UDP-D-galacturonic acid -is_a: CHEBI:17297 ! UDP-sugar +id: CHEBI:1233 +name: 3-(all-trans-octaprenyl)benzene-1,2-diol +is_a: CHEBI:62729 ! 3-(all-trans-polyprenyl)benzene-1,2-diol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:13497 -name: UDP-alpha-D-glucosamine -is_a: CHEBI:35262 ! UDP-amino sugar +id: CHEBI:12336 +name: alpha-cyclopiazonic acids +is_a: CHEBI:38615 ! cyclopiazonic acid [Term] -id: CHEBI:13534 -name: acyl-carrier protein -is_a: CHEBI:36080 ! protein -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:1235 +name: 2-methoxy-6-(all-trans-octaprenyl)phenol +is_a: CHEBI:62731 ! 2-methoxy-6-(all-trans-polyprenyl)phenol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:13611 -name: 4-hydroxy carboxylic acid -is_a: CHEBI:24669 ! hydroxy carboxylic acid +id: CHEBI:12350 +name: beta-D-fructofuranose 2-phosphate +is_a: CHEBI:27884 ! D-fructofuranose 2-phosphate [Term] -id: CHEBI:13614 -name: 6,7-dihydropteridines -is_a: CHEBI:26373 ! pteridines +id: CHEBI:12357 +name: beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl group +is_a: CHEBI:17571 ! beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl group +is_a: CHEBI:21524 ! N-acetyl-D-glucosaminyl groups +relationship: has_role CHEBI:53000 ! epitope [Term] -id: CHEBI:136184 -name: jasmonic acid anion -is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion -relationship: has_role CHEBI:24937 ! jasmonates +id: CHEBI:12387 +name: beta-L-fucose 1-phosphate +is_a: CHEBI:28319 ! L-fucopyranose 1-phosphate [Term] -id: CHEBI:136428 -name: N-hydroxyimidothioate -is_a: CHEBI:83991 ! imidothioate +id: CHEBI:12427 +name: N,N'-diacetylchitobiosyldiphosphodolichol +is_a: CHEBI:18341 ! diacetylchitobiosyldiphosphodolichol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:13643 -name: glycol -is_a: CHEBI:23824 ! diol +id: CHEBI:12532 +name: N,N-dihydroxy-L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid [Term] -id: CHEBI:136438 -name: D-thioglucoside -is_a: CHEBI:9553 ! thioglucoside +id: CHEBI:125678 +name: N-acetyldopamine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:136440 -name: beta-D-thioglucoside -is_a: CHEBI:136438 ! D-thioglucoside +id: CHEBI:1269 +name: 2-polyprenylphenol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:136442 -name: desulfoglucosinolic acid -is_a: CHEBI:136428 ! N-hydroxyimidothioate -is_a: CHEBI:136440 ! beta-D-thioglucoside +id: CHEBI:127343 +name: 17-(4-hydroxyphenyl)heptadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols [Term] -id: CHEBI:136505 -name: homocysteine derivative -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +id: CHEBI:127547 +name: 19-(4-hydroxyphenyl)nonadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols [Term] -id: CHEBI:136596 -name: 4-hydroxy monocarboxylic acid anion -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:12755 +name: indol-3-ylacetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:136622 -name: aci-nitro compound -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:12777 +name: vitamin A +is_a: CHEBI:26537 ! retinoid +relationship: has_part CHEBI:15367 ! all-trans-retinoic acid +relationship: has_part CHEBI:17336 ! all-trans-retinol +relationship: has_part CHEBI:17898 ! all-trans-retinal +relationship: has_part CHEBI:63410 ! all-trans-retinyl ester +relationship: has_role CHEBI:24020 ! fat-soluble vitamin +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:136702 -name: ximelagatran (hydroxylamine form) -is_a: CHEBI:140325 ! secondary carboxamide -is_a: CHEBI:140326 ! tertiary carboxamide -is_a: CHEBI:23990 ! ethyl ester -is_a: CHEBI:24709 ! hydroxylamines -is_a: CHEBI:38777 ! azetidines +id: CHEBI:127780 +name: phosphonoformic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:36044 ! antiviral drug +relationship: has_role CHEBI:53756 ! HIV-1 reverse transcriptase inhibitor +relationship: has_role CHEBI:63330 ! sodium-dependent Pi-transporter inhibitor [Term] -id: CHEBI:136849 -name: 3-oxo-Delta(4)-steroid group -is_a: CHEBI:33247 ! organic group +id: CHEBI:127781 +name: 17-(4-hydroxyphenyl)heptadecanoyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride [Term] -id: CHEBI:136859 -name: pro-agent -is_a: CHEBI:33232 ! application +id: CHEBI:128 +name: (S)-(-)-alpha-terpineol +is_a: CHEBI:22469 ! alpha-terpineol +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:136860 -name: antidote to sarin poisoning -is_a: CHEBI:50247 ! antidote +id: CHEBI:128120 +name: 19-(4-hydroxyphenyl)nonadecanoyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride [Term] -id: CHEBI:136889 -name: 5beta steroid -is_a: CHEBI:35341 ! steroid +id: CHEBI:12834 +name: n-alkanal +is_a: CHEBI:59768 ! aliphatic aldehyde [Term] -id: CHEBI:137040 -name: short chain fatty acyl-CoA(4-) -is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +id: CHEBI:128459 +name: valienol 1-phosphate +is_a: CHEBI:23450 ! cyclitol phosphate [Term] -id: CHEBI:13705 -name: acetoacetate -is_a: CHEBI:133292 ! 3-oxo fatty acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:12875 +name: trans-2-coumarate +is_a: CHEBI:11594 ! 2-coumarate [Term] -id: CHEBI:137180 -name: 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate +id: CHEBI:128753 +name: (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate(3-) is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59544 ! phosphoantigen [Term] -id: CHEBI:13719 -name: acetylsalicylate -is_a: CHEBI:22718 ! benzoates +id: CHEBI:128754 +name: GDP-valienol +is_a: CHEBI:23450 ! cyclitol phosphate +is_a: CHEBI:47784 ! nucleotide conjugate +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:137419 -name: secondary ammonium ion -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:12876 +name: trans-4-coumarate +is_a: CHEBI:32373 ! 4-coumarate +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:137980 -name: metalloid atom -is_a: CHEBI:33250 ! atom +id: CHEBI:128769 +name: isopentenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59544 ! phosphoantigen +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:137982 -name: tertiary ammonium ion -is_a: CHEBI:25697 ! organic cation +id: CHEBI:128770 +name: 12,18-dihydroxyoctadecanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid [Term] -id: CHEBI:137986 -name: (beta-Asp-Arg)n zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:12886 +name: (R)-4'-phosphopantothenate(1-) +is_a: CHEBI:37481 ! amidoalkyl phosphate [Term] -id: CHEBI:138000 -name: 3-(1-methylpyrrolidin-2-yl)pyridine -is_a: CHEBI:26416 ! pyridine alkaloid -is_a: CHEBI:26456 ! pyrrolidine alkaloid -is_a: CHEBI:46775 ! N-alkylpyrrolidine +id: CHEBI:129 +name: (-)-beta-phellandrene +is_a: CHEBI:48741 ! beta-phellandrene +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:138015 -name: endocrine disruptor -is_a: CHEBI:51061 ! hormone receptor modulator +id: CHEBI:129091 +name: (9Z,12R)-12,18-dihydroxyoctadecenoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:131869 ! hydroxy monounsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid [Term] -id: CHEBI:138029 -name: 14alpha-methyl steroid -is_a: CHEBI:35341 ! steroid +id: CHEBI:12931 +name: D-galactonate +is_a: CHEBI:24148 ! galactonate +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:138088 -name: long chain primary alcohol -is_a: CHEBI:15734 ! primary alcohol +id: CHEBI:12936 +name: D-galactose +is_a: CHEBI:17608 ! D-aldohexose +is_a: CHEBI:28260 ! galactose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:138103 -name: inorganic acid -is_a: CHEBI:39141 ! Bronsted acid +id: CHEBI:12937 +name: D-galactose 6-phosphate +is_a: CHEBI:20960 ! galactose phosphate +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:138130 -name: Delta(7)-sterol -is_a: CHEBI:15889 ! sterol +id: CHEBI:1294 +name: (20R,22R)-20,22-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36854 ! 20-hydroxy steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:138141 -name: 17alpha-hydroxy-C21-steroid -is_a: CHEBI:35342 ! 17alpha-hydroxy steroid -is_a: CHEBI:61313 ! C21-steroid +id: CHEBI:12952 +name: aldehydo-D-galacturonate +is_a: CHEBI:24175 ! galacturonate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] -id: CHEBI:138208 -name: carotenoid biosynthesis inhibitor -is_a: CHEBI:76932 ! pathway inhibitor +id: CHEBI:12962 +name: D-glucosamine 6-phosphate +is_a: CHEBI:24269 ! glucosamine phosphate +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:138238 -name: pyrimidine ribonucleoside 5'-monophosphate(2-) -is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) +id: CHEBI:130073 +name: 5,20-diHEPE +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] -id: CHEBI:138366 -name: bile acids -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:35350 ! hydroxy steroid -is_a: CHEBI:36078 ! cholanoid +id: CHEBI:13022 +name: keto-D-sorbose +is_a: CHEBI:17317 ! D-sorbose [Term] -id: CHEBI:13850 -name: apoprotein -is_a: CHEBI:38560 ! simple protein -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:13043 +name: 3-amino-L-alaninate +is_a: CHEBI:49983 ! 3-aminoalaninate [Term] -id: CHEBI:138518 -name: dialkyl phosphate(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:13086 +name: L-aspartate 4-semialdehyde +is_a: CHEBI:33558 ! alpha-amino-acid anion [Term] -id: CHEBI:138625 -name: (+)-jasmonic acid anion -is_a: CHEBI:136184 ! jasmonic acid anion +id: CHEBI:13115 +name: L-gulonate +is_a: CHEBI:24461 ! gulonate +relationship: has_role CHEBI:75768 ! mammalian metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:138675 -name: gas molecular entity -is_a: CHEBI:33579 ! main group molecular entity +id: CHEBI:131198 +name: (Z)-1,2-ethenediol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:33823 ! enol [Term] -id: CHEBI:138979 -name: hemisuccinate -is_a: CHEBI:36181 ! succinate ester -is_a: CHEBI:36244 ! dicarboxylic acid monoester +id: CHEBI:131367 +name: 3-hydroxy-3-butenoic acid +is_a: CHEBI:1549 ! 3-hydroxymonocarboxylic acid +is_a: CHEBI:33823 ! enol [Term] -id: CHEBI:139114 -name: carotenoid psi-end group -is_a: CHEBI:23044 ! carotenoid +id: CHEBI:131401 +name: hexopyranosyl hexopyranoside +is_a: CHEBI:24407 ! glycosyl glycoside [Term] -id: CHEBI:139115 -name: carotenoid epsilon-end group -is_a: CHEBI:23044 ! carotenoid +id: CHEBI:131429 +name: carcinine +is_a: CHEBI:22823 ! beta-alanine derivative +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:83039 ! crustacean metabolite [Term] -id: CHEBI:139120 -name: carotenoid beta-end group -is_a: CHEBI:23044 ! carotenoid +id: CHEBI:131436 +name: N-acetyl-L-phosphinothricin +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:52057 ! N-acetylphosphinothricin [Term] -id: CHEBI:139166 -name: secoiridoid -is_a: CHEBI:50563 ! iridoid monoterpenoid +id: CHEBI:131444 +name: guanidinoacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:139218 -name: secondary nitroalkane -is_a: CHEBI:7587 ! nitroalkane +id: CHEBI:131445 +name: 4-methylpentanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:139291 -name: chlorophyll(1-) -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +id: CHEBI:131446 +name: 2-aminobenzoylacetate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion [Term] -id: CHEBI:139292 -name: chlorophyllide(2-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +id: CHEBI:131447 +name: 2-aminobenzoylacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:139300 -name: (+)-jasmonic acid -is_a: CHEBI:35871 ! oxo monocarboxylic acid -is_a: CHEBI:36140 ! cyclopentanones -relationship: has_role CHEBI:24937 ! jasmonates +id: CHEBI:131448 +name: beta-D-Man-(1->2)-beta-D-Man-(1->2)-D-Man +is_a: CHEBI:27150 ! trisaccharide [Term] -id: CHEBI:139340 -name: 1,3-dihydroimidazole-2-thiones -is_a: CHEBI:24780 ! imidazoles -is_a: CHEBI:51276 ! thioureas +id: CHEBI:131450 +name: 2,6-dihydroxybenzoate +is_a: CHEBI:36084 ! dihydroxybenzoate [Term] -id: CHEBI:13941 -name: carbamate -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:131487 +name: 1,2-diacyl-3-(alpha-D-6-sulfoquinovosyl)-sn-glycerol(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion [Term] -id: CHEBI:139492 -name: sensitiser -is_a: CHEBI:52209 ! aetiopathogenetic role +id: CHEBI:131522 +name: dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:13956 -name: ceramide 1-phosphate -is_a: CHEBI:17761 ! ceramide -is_a: CHEBI:35786 ! phosphosphingolipid +id: CHEBI:131530 +name: pyridoxal(1+) +is_a: CHEBI:50334 ! pyridinium ion [Term] -id: CHEBI:139575 -name: monounsaturated fatty acyl-CoA -is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +id: CHEBI:131533 +name: pyridoxamine(2+) +is_a: CHEBI:50334 ! pyridinium ion [Term] -id: CHEBI:139588 -name: alpha-hydroxy ketone -is_a: CHEBI:30879 ! alcohol -is_a: CHEBI:52396 ! alpha-oxyketone +id: CHEBI:131561 +name: hyaluronic acid synthesis inhibitor +is_a: CHEBI:35222 ! inhibitor [Term] -id: CHEBI:139589 -name: retinoid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:131562 +name: (5S,15S)-5-hydroperoxy-15-HETE +is_a: CHEBI:90833 ! 5-hydroperoxy-15-HETE [Term] -id: CHEBI:139590 -name: primary alpha-hydroxy ketone -is_a: CHEBI:139588 ! alpha-hydroxy ketone -is_a: CHEBI:15734 ! primary alcohol +id: CHEBI:131564 +name: (5S,15S)-5-hydroperoxy-15-HETE(1-) +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:137548 ! hydroperoxy(hydroxy)icosatetraenoate +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:90631 ! 5-hydroperoxy-15-HETE(1-) [Term] -id: CHEBI:139592 -name: tertiary alpha-hydroxy ketone -is_a: CHEBI:139588 ! alpha-hydroxy ketone -is_a: CHEBI:26878 ! tertiary alcohol +id: CHEBI:131565 +name: steroid aldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:13997 -name: citramalate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131572 +name: 3'-L-prolyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:46874 ! alpha-amino acid ester +is_a: CHEBI:84186 ! L-proline derivative +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite [Term] -id: CHEBI:140159 -name: D-hexose phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:131579 +name: pApA +is_a: CHEBI:48638 ! 5'-phospho-(3'->5')-dinucleotide +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite [Term] -id: CHEBI:140277 -name: 5-hydroxyanthocyanidin -is_a: CHEBI:16366 ! anthocyanidin cation +id: CHEBI:131582 +name: 8,12-diethyl-3-vinylbacteriochlorophyllide d +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38206 ! chlorophyllide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:140284 -name: deoxyribonucleotide residue(1-) -is_a: CHEBI:64775 ! organic anionic group - +id: CHEBI:131587 +name: 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38206 ! chlorophyllide +relationship: has_role CHEBI:76969 ! bacterial metabolite + [Term] -id: CHEBI:140310 -name: phenyl acetates -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:47622 ! acetate ester +id: CHEBI:131588 +name: 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38206 ! chlorophyllide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:140324 -name: primary carboxamide -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:131589 +name: 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid 9-phosphate +is_a: CHEBI:24962 ! ketoaldonic acid phosphate +is_a: CHEBI:63436 ! carbohydrate acid derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:140325 -name: secondary carboxamide -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:131591 +name: C18-steroid +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:140326 -name: tertiary carboxamide -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:131593 +name: 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid +is_a: CHEBI:71429 ! deaminoneuraminic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:140345 -name: hydroxy polyunsaturated fatty acid -is_a: CHEBI:24654 ! hydroxy fatty acid -is_a: CHEBI:26208 ! polyunsaturated fatty acid +id: CHEBI:131596 +name: CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid +is_a: CHEBI:20878 ! CMP-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:140359 -name: UDP-monosaccharide(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:131602 +name: CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid +is_a: CHEBI:20878 ! CMP-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:140399 -name: specialised pro-resolving mediator -is_a: CHEBI:24432 ! biological role -is_a: CHEBI:62488 ! signalling molecule -is_a: CHEBI:67079 ! anti-inflammatory agent +id: CHEBI:131603 +name: sucrose 6(G)-phosphate +is_a: CHEBI:23843 ! disaccharide phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:140601 -name: fatty acid 4:0 -is_a: CHEBI:26666 ! short-chain fatty acid +id: CHEBI:131604 +name: Mycoplasma genitalium metabolite +is_a: CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:14105 -name: deamido-NAD zwitterion -is_a: CHEBI:37584 ! nicotinic acid dinucleotide +id: CHEBI:131605 +name: dicarboxylic acid monoester(1-) +is_a: CHEBI:29067 ! carboxylic acid anion [Term] -id: CHEBI:1427 -name: 3-(3-hydroxyphenyl)propanoic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:131610 +name: O-(beta-L-arabinofuranosyl)-trans-4-hydroxy-L-proline residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:131617 +name: 18-oxoresolvin E1 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:59644 ! oxo fatty acid +is_a: CHEBI:61703 ! nonclassic icosanoid relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:14314 -name: D-glucose 6-phosphate -is_a: CHEBI:17348 ! D-aldohexose 6-phosphate -is_a: CHEBI:21006 ! D-glucose monophosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131619 +name: C27-steroid +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:14321 -name: glutamate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131620 +name: C24-steroid +is_a: CHEBI:131657 ! cholane derivative [Term] -id: CHEBI:14336 -name: glycerol 1-phosphate -is_a: CHEBI:16890 ! glycerol monophosphate -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:131621 +name: C19-steroid +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:1438 -name: 3-(methylthio)propionic acid -is_a: CHEBI:59643 ! thia fatty acid -relationship: has_role CHEBI:38231 ! phytotoxin +id: CHEBI:131622 +name: steroidal acyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:14737 -name: pantoic acid -is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +id: CHEBI:131632 +name: lanostane derivative +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:15022 -name: electron donor -is_a: CHEBI:17891 ! donor +id: CHEBI:131634 +name: pregnane derivative +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:15035 -name: retinal -is_a: CHEBI:26534 ! retinals -is_a: CHEBI:51688 ! enal -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131636 +name: GDP-4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:15036 -name: retinoate -is_a: CHEBI:139589 ! retinoid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:131639 +name: GDP-(2S,3S,6R)-3-hydroxy-5-imino-6-methyloxane(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:15075 -name: selenate -is_a: CHEBI:33488 ! selenium oxoanion -is_a: CHEBI:79388 ! divalent inorganic anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131647 +name: androstane sulfate +is_a: CHEBI:131737 ! androstane ester +is_a: CHEBI:16158 ! steroid sulfate [Term] -id: CHEBI:15138 -name: sulfide(2-) -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:131650 +name: phosphinomethylisomalate(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:15193 -name: tartrate(2-) -is_a: CHEBI:30929 ! 2,3-dihydroxybutanedioate -is_a: CHEBI:61336 ! C4-dicarboxylate +id: CHEBI:131651 +name: 2-(phosphinatomethylidene)succinate(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:15245 -name: thymidine 5'-monophosphate -is_a: CHEBI:27001 ! thymidine phosphate -is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +id: CHEBI:131652 +name: cholestanoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:15318 -name: xanthine -is_a: CHEBI:25810 ! oxopurine -is_a: CHEBI:26386 ! purine nucleobase -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131657 +name: cholane derivative +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:15333 -name: zeatin -is_a: CHEBI:38643 ! 6-isopentenylaminopurine -relationship: has_role CHEBI:23530 ! cytokinin +id: CHEBI:13166 +name: Sec-tRNA(Sec) +is_a: CHEBI:2651 ! alpha-aminoacyl-tRNA [Term] -id: CHEBI:15339 -name: acceptor -is_a: CHEBI:51086 ! chemical role +id: CHEBI:131698 +name: pregnane sterol +is_a: CHEBI:131634 ! pregnane derivative +is_a: CHEBI:15889 ! sterol [Term] -id: CHEBI:15343 -name: acetaldehyde -is_a: CHEBI:17478 ! aldehyde -relationship: has_role CHEBI:17654 ! electron acceptor -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:63248 ! oxidising agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor +id: CHEBI:131699 +name: EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor +is_a: CHEBI:38234 ! DNA polymerase inhibitor [Term] -id: CHEBI:15344 -name: acetoacetic acid -is_a: CHEBI:134416 ! 3-oxo fatty acid -is_a: CHEBI:73693 ! ketone body -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:131701 +name: poly(ethylene terephthalate)(1-) +is_a: CHEBI:60164 ! ionic polymer [Term] -id: CHEBI:15346 -name: coenzyme A -is_a: CHEBI:37240 ! adenosine 3',5'-bisphosphate -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131702 +name: stigmastane derivative +is_a: CHEBI:35341 ! steroid [Term] -id: CHEBI:15347 -name: acetone -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:26292 ! propanones -is_a: CHEBI:51867 ! methyl ketone -is_a: CHEBI:73693 ! ketone body -relationship: has_role CHEBI:48358 ! polar aprotic solvent -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor +id: CHEBI:131703 +name: stigmastane sterol +is_a: CHEBI:131702 ! stigmastane derivative +is_a: CHEBI:15889 ! sterol [Term] -id: CHEBI:15351 -name: acetyl-CoA -is_a: CHEBI:17984 ! acyl-CoA -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:35224 ! effector -relationship: has_role CHEBI:62049 ! acyl donor -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131704 +name: 4-[(2-hydroxyethoxy)carbonyl]benzoate +is_a: CHEBI:131605 ! dicarboxylic acid monoester(1-) [Term] -id: CHEBI:15353 -name: blasticidin S -is_a: CHEBI:22905 ! blasticidin -is_a: CHEBI:86478 ! antibiotic antifungal agent -relationship: has_role CHEBI:24127 ! fungicide -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:131705 +name: 2'-deoxynucleoside 3'-monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:15354 -name: choline -is_a: CHEBI:23217 ! cholines -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:33284 ! nutrient -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:131706 +name: (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:15355 -name: acetylcholine -is_a: CHEBI:35287 ! acylcholine -is_a: CHEBI:47622 ! acetate ester -relationship: has_role CHEBI:24621 ! hormone -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:38325 ! muscarinic agonist -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131707 +name: (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:15356 -name: cysteine -is_a: CHEBI:26834 ! sulfur-containing amino acid -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:50326 ! sulfanylmethyl group -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131708 +name: N(omega)-(1-hydroxy-2-oxopropyl)-L-arginine residue(1+) +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:15358 -name: histone -is_a: CHEBI:36080 ! protein +id: CHEBI:131709 +name: N(6)-(1-hydroxy-2-oxopropyl)-L-lysine residue(1+) +is_a: CHEBI:35415 ! alpha-amino-acid residue cation +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:15361 -name: pyruvate -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131710 +name: S-(1-hydroxy-2-oxopropyl)-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:15365 -name: acetylsalicylic acid -is_a: CHEBI:140310 ! phenyl acetates -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:26596 ! salicylates -relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug -relationship: has_role CHEBI:35481 ! non-narcotic analgesic -relationship: has_role CHEBI:35493 ! antipyretic -relationship: has_role CHEBI:49023 ! prostaglandin antagonist -relationship: has_role CHEBI:50249 ! anticoagulant -relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor -relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor -relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:73182 ! plant activator -relationship: has_role CHEBI:77425 ! EC 1.1.1.188 (prostaglandin-F synthase) inhibitor -relationship: has_role CHEBI:88188 ! drug allergen +id: CHEBI:131711 +name: (S)-demethyl-4-deoxygadusol(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:15366 -name: acetic acid -is_a: CHEBI:25384 ! monocarboxylic acid -relationship: has_role CHEBI:48356 ! protic solvent -relationship: has_role CHEBI:64049 ! food acidity regulator -relationship: has_role CHEBI:65256 ! antimicrobial food preservative -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:131717 +name: 2-epi-valiolone +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36132 ! alicyclic ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15367 -name: all-trans-retinoic acid -is_a: CHEBI:26536 ! retinoic acid -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50176 ! keratolytic drug -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:63794 ! retinoid X receptor agonist -relationship: has_role CHEBI:67079 ! anti-inflammatory agent -relationship: has_role CHEBI:67198 ! retinoic acid receptor agonist -relationship: has_role CHEBI:67199 ! AP-1 antagonist -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131718 +name: S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1-) +is_a: CHEBI:90779 ! S-substitued glutathione(1-) [Term] -id: CHEBI:15369 -name: actinomycin -is_a: CHEBI:23239 ! chromopeptide +id: CHEBI:13172 +name: keto-L-sorbose +is_a: CHEBI:17266 ! L-sorbose [Term] -id: CHEBI:15372 -name: 5,6,7,8-tetrahydrobiopterin -is_a: CHEBI:22881 ! biopterins -is_a: CHEBI:23824 ! diol -is_a: CHEBI:30436 ! tetrahydropterin -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:26348 ! prosthetic group -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131720 +name: (3R)-3,4-epoxy-3-methylbut-1-ene +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:15373 -name: biopterin -is_a: CHEBI:22881 ! biopterins -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:131725 +name: coproporphyrin III(4-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:15377 -name: water -is_a: CHEBI:33693 ! oxygen hydride -is_a: CHEBI:37176 ! mononuclear parent hydride -is_a: CHEBI:52625 ! inorganic hydroxy compound -relationship: has_role CHEBI:48360 ! amphiprotic solvent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76413 ! greenhouse gas -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131727 +name: hydroxylipid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:33822 ! organic hydroxy compound [Term] -id: CHEBI:15378 -name: hydron -is_a: CHEBI:25414 ! monoatomic monocation -is_a: CHEBI:33251 ! monoatomic hydrogen -is_a: CHEBI:33252 ! atomic nucleus -is_a: CHEBI:60242 ! monovalent inorganic cation +id: CHEBI:131728 +name: [Glu(-Cys)]n-Gly(1-) +is_a: CHEBI:60164 ! ionic polymer +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:15379 -name: dioxygen -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:25362 ! elemental molecule -is_a: CHEBI:33263 ! diatomic oxygen -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:33284 ! nutrient -relationship: has_role CHEBI:33893 ! reagent -relationship: has_role CHEBI:35472 ! anti-inflammatory drug -relationship: has_role CHEBI:63248 ! oxidising agent -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:77974 ! food packaging gas +id: CHEBI:13173 +name: L-tagatose 6-phosphate +is_a: CHEBI:49094 ! tagatose 6-phosphate [Term] -id: CHEBI:15380 -name: succinyl-CoA -is_a: CHEBI:37555 ! omega-carboxyacyl-CoA -relationship: has_role CHEBI:35222 ! inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131735 +name: 4-[(2-hydroxyethoxy)carbonyl]benzoic acid +is_a: CHEBI:36244 ! dicarboxylic acid monoester [Term] -id: CHEBI:15384 -name: limonene -is_a: CHEBI:33643 ! cycloalkene -is_a: CHEBI:35187 ! monoterpene -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131737 +name: androstane ester +is_a: CHEBI:47880 ! steroid ester +is_a: CHEBI:50402 ! androstanoid [Term] -id: CHEBI:15396 -name: (R)-camphor -is_a: CHEBI:36773 ! camphor +id: CHEBI:131739 +name: lysophosphatidylcholine (18:1/0:0) +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64566 ! lysophosphatidylcholine 18:1 +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:15397 -name: (S)-camphor -is_a: CHEBI:36773 ! camphor +id: CHEBI:131745 +name: lysophosphatidylethanolamine (0:0/18:2) +is_a: CHEBI:28936 ! 2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:91296 ! lysophosphatidylethanolamine 18:2 +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:15409 -name: (-)-menthol -is_a: CHEBI:25187 ! p-menthan-3-ol -relationship: has_role CHEBI:51177 ! antitussive -relationship: has_role CHEBI:53784 ! antispasmodic drug -relationship: has_role CHEBI:59683 ! antipruritic drug +id: CHEBI:131747 +name: lanostane ester +is_a: CHEBI:131632 ! lanostane derivative +is_a: CHEBI:47880 ! steroid ester [Term] -id: CHEBI:15414 -name: S-adenosyl-L-methionine -is_a: CHEBI:26830 ! sulfonium compound -relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131748 +name: ergostane ester +is_a: CHEBI:47880 ! steroid ester +is_a: CHEBI:50403 ! ergostanoid [Term] -id: CHEBI:15415 -name: ent-kaurene -is_a: CHEBI:35190 ! diterpene +id: CHEBI:131759 +name: CMP-5'-phosphonoformic acid +is_a: CHEBI:23521 ! cytidine 5'-phosphate +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15422 -name: ATP -is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate -is_a: CHEBI:37096 ! adenosine 5'-phosphate -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131766 +name: (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:15428 -name: glycine -is_a: CHEBI:26650 ! serine family amino acid -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:62868 ! hepatoprotective agent -relationship: has_role CHEBI:64570 ! EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor -relationship: has_role CHEBI:64571 ! NMDA receptor agonist -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131767 +name: D-erythrulose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:15435 -name: protoporphyrinogen -is_a: CHEBI:36321 ! porphyrinogens -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131780 +name: 2-hydroxyisobutanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:15437 -name: uroporphyrinogen III -is_a: CHEBI:27258 ! uroporphyrinogen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131783 +name: indolmycenate +is_a: CHEBI:58123 ! (2S)-2-hydroxy monocarboxylic acid anion [Term] -id: CHEBI:15443 -name: inulin -is_a: CHEBI:29084 ! (2->1)-beta-D-fructan +id: CHEBI:131797 +name: S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:15444 -name: (1->4)-alpha-D-glucan -is_a: CHEBI:22385 ! alpha-D-glucan +id: CHEBI:131798 +name: S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1-) +is_a: CHEBI:90779 ! S-substitued glutathione(1-) [Term] -id: CHEBI:15465 -name: (R)-methylmalonyl-CoA -is_a: CHEBI:16625 ! methylmalonyl-CoA -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131803 +name: L-allysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:15469 -name: alk-2-enoyl-CoA -is_a: CHEBI:19573 ! 2-enoyl-CoA -is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +id: CHEBI:131822 +name: sulfamate +is_a: CHEBI:33554 ! organosulfonate oxoanion [Term] -id: CHEBI:15477 -name: 2-methylbutanoyl-CoA -is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA -is_a: CHEBI:61905 ! short-chain fatty acyl-CoA +id: CHEBI:131823 +name: methylated primary amine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:15486 -name: 3-methylbut-2-enoyl-CoA -is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA -is_a: CHEBI:19573 ! 2-enoyl-CoA -is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA -is_a: CHEBI:61905 ! short-chain fatty acyl-CoA +id: CHEBI:131845 +name: 2-methylpropane-1,2-diol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26878 ! tertiary alcohol relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:15487 -name: isovaleryl-CoA -is_a: CHEBI:25286 ! methylbutanoyl-CoA -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131846 +name: 2-hydroxy-2-methylpropanal +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:50413 ! hydroxyaldehyde +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:1549 -name: 3-hydroxymonocarboxylic acid -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:131847 +name: 2,4-didehydro-3-deoxy-L-rhamnonate +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:15515 -name: benzoyl-CoA -is_a: CHEBI:22736 ! benzoyl-CoAs -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131849 +name: D-erythritol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:15517 -name: butyryl-CoA -is_a: CHEBI:22954 ! butanoyl-CoAs -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131856 +name: 3,5-dimethylorsellinate +is_a: CHEBI:36084 ! dihydroxybenzoate [Term] -id: CHEBI:15531 -name: malonyl-CoA -is_a: CHEBI:25136 ! malonyl-CoAs -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:63158 ! EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131857 +name: 3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion [Term] -id: CHEBI:15539 -name: propionyl-CoA -is_a: CHEBI:17984 ! acyl-CoA -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131858 +name: HETE anion +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:15552 -name: prostaglandin I2 -is_a: CHEBI:26345 ! prostaglandins I -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131859 +name: oxo-ETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:15570 -name: D-alanine -is_a: CHEBI:16449 ! alanine -is_a: CHEBI:16733 ! D-alpha-amino acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor +id: CHEBI:131860 +name: octadecanoid anion +is_a: CHEBI:2580 ! unsaturated fatty acid anion [Term] -id: CHEBI:15573 -name: (2-aminoethyl)phosphonic acid -is_a: CHEBI:26069 ! phosphonic acids -is_a: CHEBI:50994 ! primary amino compound -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131861 +name: HODE(1-) +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:15584 -name: citramalic acid -is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid -is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:131862 +name: HPODE(1-) +is_a: CHEBI:131860 ! octadecanoid anion [Term] -id: CHEBI:15595 -name: malate(2-) -is_a: CHEBI:25115 ! malate -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131863 +name: docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] -id: CHEBI:15603 -name: L-leucine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:25017 ! leucine -is_a: CHEBI:26463 ! pyruvate family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:131864 +name: docosanoid anion +is_a: CHEBI:29067 ! carboxylic acid anion [Term] -id: CHEBI:15611 -name: sarcosine -is_a: CHEBI:21760 ! N-methyl-amino acid -is_a: CHEBI:21766 ! N-methylglycines -is_a: CHEBI:66933 ! N-alkylglycine -relationship: has_role CHEBI:64588 ! glycine transporter 1 inhibitor -relationship: has_role CHEBI:64589 ! glycine receptor agonist -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131865 +name: EET(1-) +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:15625 -name: S-adenosylmethioninamine -is_a: CHEBI:22260 ! adenosines -is_a: CHEBI:26830 ! sulfonium compound -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131867 +name: hydroxydocosahexaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion [Term] -id: CHEBI:15627 -name: thromboxane A2 -is_a: CHEBI:23931 ! epoxy monocarboxylic acid -is_a: CHEBI:36088 ! thromboxanes A -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131868 +name: HPDHE(1-) +is_a: CHEBI:131864 ! docosanoid anion [Term] -id: CHEBI:15632 -name: 5(S)-HPETE -is_a: CHEBI:91268 ! 5-HPETE -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131869 +name: hydroxy monounsaturated fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid [Term] -id: CHEBI:15633 -name: dihydrofolic acid -is_a: CHEBI:23743 ! dihydrofolic acids -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131870 +name: hydroxy monounsaturated fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:15637 -name: 10-formyltetrahydrofolic acid -is_a: CHEBI:24099 ! formyltetrahydrofolic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131871 +name: hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:15640 -name: 5-formyltetrahydrofolic acid -is_a: CHEBI:24099 ! formyltetrahydrofolic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131872 +name: hydroxy saturated fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:15647 -name: leukotriene B4 -is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:25029 ! leukotriene -is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131873 +name: EpETE(1-) +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:15651 -name: leukotriene A4 -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:25029 ! leukotriene -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:61121 ! oxylipin -is_a: CHEBI:61498 ! epoxy fatty acid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131874 +name: HEPE(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:15652 -name: 5'-xanthylic acid -is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate -is_a: CHEBI:53012 ! xanthosine 5'-phosphate -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131875 +name: hydroperoxyicosatrienoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:15674 -name: 2,3-dihydroxybutanedioic acid -is_a: CHEBI:26933 ! tetraric acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:131876 +name: hydroperoxyicosapentaenoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:15676 -name: allantoin -is_a: CHEBI:24628 ! imidazolidine-2,4-dione -is_a: CHEBI:47857 ! ureas -relationship: has_role CHEBI:73336 ! vulnerary -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131877 +name: dihydroxyicosatetraenoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:15681 -name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide -is_a: CHEBI:79209 ! alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131878 +name: cholanic acid anion +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:15682 -name: (N(omega)-L-arginino)succinic acid -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:83965 ! L-arginine derivative -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131879 +name: cholanic acid conjugate anion +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:15685 -name: L-2-succinylamino-6-oxoheptanedioate(3-) -is_a: CHEBI:27092 ! tricarboxylic acid trianion +id: CHEBI:131889 +name: 11-HEPE +is_a: CHEBI:72799 ! HEPE +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:15688 -name: acetoin -is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone -is_a: CHEBI:51867 ! methyl ketone -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:131894 +name: N-arachidonoylethanolamine phosphate(2-) +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:15693 -name: aldose -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:131906 +name: 4-pyranones +is_a: CHEBI:37963 ! pyranone +is_a: CHEBI:3992 ! cyclic ketone [Term] -id: CHEBI:15698 -name: 2'-deoxycytidine -is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131907 +name: 3-pyrones +is_a: CHEBI:37963 ! pyranone +is_a: CHEBI:3992 ! cyclic ketone [Term] -id: CHEBI:15699 -name: L-homoserine -is_a: CHEBI:30653 ! homoserine -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:131912 +name: O-[S-(3-hydroxy-4-methylanthraniloyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:15705 -name: L-alpha-amino acid -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131913 +name: O-[S-(3,5-dihydroxy-4-methylanthraniloyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:15710 -name: betaine aldehyde -is_a: CHEBI:35267 ! quaternary ammonium ion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76956 ! Aspergillus metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131914 +name: violacein +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:38459 ! oxindoles +is_a: CHEBI:78840 ! olefinic compound +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15713 -name: UTP -is_a: CHEBI:27232 ! uridine 5'-phosphate -is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131915 +name: deoxyviolacein +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:38459 ! oxindoles +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15714 -name: trans-sinapic acid -is_a: CHEBI:77131 ! sinapic acid -relationship: has_role CHEBI:64345 ! MALDI matrix material -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:131916 +name: proviolacein +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15725 -name: trimethylenediamine -is_a: CHEBI:35411 ! alkane-alpha,omega-diamine -relationship: has_role CHEBI:33893 ! reagent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131919 +name: nocardicin G zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:15727 -name: carnosine -is_a: CHEBI:46761 ! dipeptide -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35623 ! anticonvulsant -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:131920 +name: isonocardicin C dizwitterion +is_a: CHEBI:78608 ! alpha-amino acid zwitterion [Term] -id: CHEBI:15729 -name: L-ornithine -is_a: CHEBI:18257 ! ornithine -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -relationship: has_role CHEBI:62868 ! hepatoprotective agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:131921 +name: ethylenediaminetriacetate(2-) +is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] -id: CHEBI:15732 -name: phosphonoacetic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26069 ! phosphonic acids -relationship: has_role CHEBI:131699 ! EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor -relationship: has_role CHEBI:22587 ! antiviral agent +id: CHEBI:131922 +name: ethylenediaminediacetate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:15734 -name: primary alcohol -is_a: CHEBI:30879 ! alcohol +id: CHEBI:131927 +name: dicarboxylic acids and O-substituted derivatives +is_a: CHEBI:36586 ! carbonyl compound [Term] -id: CHEBI:15738 -name: staurosporine -is_a: CHEBI:37697 ! indolocarbazole alkaloid -is_a: CHEBI:38165 ! organic heterooctacyclic compound -relationship: has_role CHEBI:37700 ! EC 2.7.11.13 (protein kinase C) inhibitor +id: CHEBI:131928 +name: N-hydroxy-2-methylpropanamine +is_a: CHEBI:24709 ! hydroxylamines +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15739 -name: isopropylamine -is_a: CHEBI:17062 ! primary aliphatic amine -is_a: CHEBI:22331 ! alkylamines +id: CHEBI:131929 +name: (E)-3-(indol-3-yl)acrylate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:15740 -name: formate +id: CHEBI:13193 +name: hydrogen acceptor +is_a: CHEBI:17654 ! electron acceptor + +[Term] +id: CHEBI:131930 +name: validamine 7-phosphate +is_a: CHEBI:23450 ! cyclitol phosphate +is_a: CHEBI:61689 ! amino cyclitol + +[Term] +id: CHEBI:131932 +name: glycosmisate is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:15741 -name: succinic acid -is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid -is_a: CHEBI:66873 ! C4-dicarboxylic acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:49201 ! anti-ulcer drug -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:66987 ! radiation protective agent -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131933 +name: (-)-DCA-CL(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:15746 -name: spermine -is_a: CHEBI:39166 ! tetramine -is_a: CHEBI:39474 ! polyazaalkane -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:131934 +name: (-)-DCA-CC(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:15748 -name: D-glucuronate -is_a: CHEBI:24297 ! glucuronate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131935 +name: (+)-DCA-CC(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:15750 -name: dolichyl diphosphate -is_a: CHEBI:23875 ! dolichol phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131936 +name: (+)-DCA-CL(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:15753 -name: 2-oxoadipic acid -is_a: CHEBI:36145 ! oxo dicarboxylic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131937 +name: ent-glycosmisate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:15756 -name: hexadecanoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77119 ! EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:131938 +name: validoxylamine A 7'-phosphate +is_a: CHEBI:23450 ! cyclitol phosphate +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:61689 ! amino cyclitol +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15760 -name: tyramine -is_a: CHEBI:25375 ! monoamine molecular messenger -is_a: CHEBI:27175 ! tyramines -is_a: CHEBI:50994 ! primary amino compound -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131941 +name: validoxylamine A +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:61689 ! amino cyclitol +relationship: has_role CHEBI:39208 ! antibiotic insecticide +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:83762 ! EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor [Term] -id: CHEBI:15765 -name: L-dopa -is_a: CHEBI:27177 ! L-tyrosine derivative -is_a: CHEBI:49168 ! dopa -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -relationship: has_role CHEBI:35219 ! plant growth retardant -relationship: has_role CHEBI:48407 ! antiparkinson drug -relationship: has_role CHEBI:48560 ! dopaminergic agent -relationship: has_role CHEBI:50266 ! prodrug -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:59174 ! hapten -relationship: has_role CHEBI:62215 ! allelochemical -relationship: has_role CHEBI:66956 ! antidyskinesia agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131943 +name: (5E)-tetradecenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:15767 -name: dichloromethane -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:23148 ! chloromethanes -relationship: has_role CHEBI:48358 ! polar aprotic solvent -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:131944 +name: (2E,5E)-tetradecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:15775 -name: 3-oxoadipate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:131948 +name: nocardicin C dizwitterion +is_a: CHEBI:78608 ! alpha-amino acid zwitterion [Term] -id: CHEBI:15776 -name: cephalosporin C -is_a: CHEBI:23066 ! cephalosporin -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:131949 +name: validone 7-phosphate +is_a: CHEBI:23450 ! cyclitol phosphate +is_a: CHEBI:24693 ! hydroxycyclohexanone +is_a: CHEBI:27136 ! triol [Term] -id: CHEBI:15778 -name: N-acyl-D-amino acid -is_a: CHEBI:51569 ! N-acyl-amino acid -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +id: CHEBI:131950 +name: 2-aminobenzoylacetic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid +is_a: CHEBI:48975 ! substituted aniline +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15781 -name: N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine -is_a: CHEBI:21911 ! N(alpha)-methyl-L-histidines -is_a: CHEBI:22860 ! amino-acid betaine +id: CHEBI:131951 +name: 4-methylpentanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA [Term] -id: CHEBI:15792 -name: malonate(2-) -is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) -relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131952 +name: 2-aminobenzoylacetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15805 -name: D-octopine -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:36164 ! amino dicarboxylic acid -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:83229 ! amino acid opine -is_a: CHEBI:83966 ! D-arginine derivative -relationship: has_role CHEBI:75767 ! animal metabolite -relationship: has_role CHEBI:76206 ! xenobiotic metabolite +id: CHEBI:131954 +name: GDP-4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose +is_a: CHEBI:21167 ! GDP-hexose [Term] -id: CHEBI:15816 -name: D-arginine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:29016 ! arginine -relationship: has_role CHEBI:65053 ! EC 4.1.1.19 (arginine decarboxylase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131955 +name: (5E)-tetradecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:15820 -name: GDP-alpha-D-mannose -is_a: CHEBI:84880 ! GDP-D-mannose -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131957 +name: (5E)-tetradecenoyl-L-carnitine +is_a: CHEBI:85449 ! O-tetradecenoyl-L-carnitine +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:15824 -name: D-fructose -is_a: CHEBI:28757 ! fructose -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:131958 +name: (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:15831 -name: geranylgeranyl diphosphate -is_a: CHEBI:37531 ! polyprenol diphosphate +id: CHEBI:131959 +name: phosphinomethylisomalic acid +is_a: CHEBI:26044 ! phosphinic acids +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:15841 -name: polypeptide -is_a: CHEBI:16670 ! peptide -is_a: CHEBI:33839 ! macromolecule +id: CHEBI:131962 +name: (3E)-octenoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:15843 -name: arachidonic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:36009 ! omega-6 fatty acid -is_a: CHEBI:36306 ! icosa-5,8,11,14-tetraenoic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor -relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite +id: CHEBI:131963 +name: 2-(phosphinomethylidene)succinic acid +is_a: CHEBI:26044 ! phosphinic acids +is_a: CHEBI:35692 ! dicarboxylic acid [Term] -id: CHEBI:15846 -name: NAD(+) -is_a: CHEBI:13389 ! NAD -is_a: CHEBI:13390 ! NAD(P)(+) -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131964 +name: (14S,15R)-EET(1-) +is_a: CHEBI:84024 ! 14,15-EET(1-) [Term] -id: CHEBI:15864 -name: luteolin -is_a: CHEBI:27741 ! 3'-hydroxyflavonoid -is_a: CHEBI:38684 ! tetrahydroxyflavone -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:48422 ! angiogenesis inhibitor -relationship: has_role CHEBI:65207 ! vascular endothelial growth factor receptor antagonist -relationship: has_role CHEBI:67079 ! anti-inflammatory agent -relationship: has_role CHEBI:68495 ! apoptosis inducer -relationship: has_role CHEBI:71476 ! EC 2.3.1.85 (fatty acid synthase) inhibitor -relationship: has_role CHEBI:76595 ! nephroprotective agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:90172 ! c-Jun N-terminal kinase inhibitor +id: CHEBI:131965 +name: (14R,15S)-EET(1-) +is_a: CHEBI:84024 ! 14,15-EET(1-) [Term] -id: CHEBI:15868 -name: CDP-N-methylethanolamine -is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s -is_a: CHEBI:36711 ! phosphoethanolamine +id: CHEBI:131966 +name: (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:63442 ! hexonic acid derivative [Term] -id: CHEBI:15882 -name: phenol -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:48218 ! antiseptic drug -relationship: has_role CHEBI:48219 ! disinfectant -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:131967 +name: (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid +is_a: CHEBI:23591 ! dehydroamino acid +is_a: CHEBI:33272 ! ketimine +is_a: CHEBI:63442 ! hexonic acid derivative [Term] -id: CHEBI:15884 -name: tropine -is_a: CHEBI:37332 ! tropane alkaloid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131969 +name: (11S,12R)-EET(1-) +is_a: CHEBI:76625 ! 11,12-EET(1-) [Term] -id: CHEBI:15889 -name: sterol -is_a: CHEBI:36834 ! 3-hydroxy steroid +id: CHEBI:13197 +name: ribonucleoside 3'-monophosphate(2-) +is_a: CHEBI:63165 ! ribonucleoside monophosphate oxoanion [Term] -id: CHEBI:15891 -name: taurine -is_a: CHEBI:37793 ! amino sulfonic acid -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:33284 ! nutrient -relationship: has_role CHEBI:48578 ! radical scavenger -relationship: has_role CHEBI:64589 ! glycine receptor agonist -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131970 +name: (11R,12S)-EET(1-) +is_a: CHEBI:76625 ! 11,12-EET(1-) [Term] -id: CHEBI:15903 -name: beta-D-glucose -is_a: CHEBI:4167 ! D-glucopyranose -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:131971 +name: (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:15904 -name: long-chain fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:131973 +name: (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:15915 -name: ADP-L-glycero-D-manno-heptose -is_a: CHEBI:20847 ! ADP-glycero-D-manno-heptose -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131974 +name: (8S,9R)-EET(1-) +is_a: CHEBI:84025 ! 8,9-EET(1-) [Term] -id: CHEBI:15918 -name: 2'-deoxycytosine 5'-monophosphate -is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate -is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:131975 +name: (8R,9S)-EET(1-) +is_a: CHEBI:84025 ! 8,9-EET(1-) [Term] -id: CHEBI:15926 -name: dolichyl diphosphooligosaccharide -is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide +id: CHEBI:131978 +name: (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:15927 -name: N-ribosylnicotinamide -is_a: CHEBI:25526 ! N-glycosylnicotinamide -is_a: CHEBI:47896 ! pyridine nucleoside -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131979 +name: 5,10-dihydrophenazine-1,6-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:15930 -name: atrazine -is_a: CHEBI:38168 ! chloro-1,3,5-triazine -is_a: CHEBI:38170 ! diamino-1,3,5-triazine -relationship: has_role CHEBI:24527 ! herbicide -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:131980 +name: phenazine-1,6-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:15933 -name: UDP-D-apiose -is_a: CHEBI:17297 ! UDP-sugar +id: CHEBI:131981 +name: (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63473 ! aromatic amino-acid anion [Term] -id: CHEBI:15936 -name: aldehydo-D-xylose -is_a: CHEBI:65327 ! D-xylose -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:131986 +name: 1-docosahexaenoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64567 ! lysophosphatidylcholine 22:6 [Term] -id: CHEBI:15940 -name: nicotinic acid -is_a: CHEBI:26416 ! pyridine alkaloid -is_a: CHEBI:26420 ! pyridinemonocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:35679 ! antilipemic drug -relationship: has_role CHEBI:50247 ! antidote -relationship: has_role CHEBI:75769 ! B vitamin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:84264 ! EC 3.5.1.19 (nicotinamidase) inhibitor +id: CHEBI:131987 +name: 2-docosahexaenoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64567 ! lysophosphatidylcholine 22:6 [Term] -id: CHEBI:15942 -name: 2-aminobenzenesulfonate -is_a: CHEBI:22493 ! aminobenzenesulfonate +id: CHEBI:131990 +name: (2E,5Z)-octadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:85097 ! 4-saturated trans-2-enoyl-CoA(4-) [Term] -id: CHEBI:15943 -name: poly(glycerol phosphate) macromolecule -is_a: CHEBI:26707 ! glycerol phosphate -is_a: CHEBI:37997 ! homopolymer macromolecule -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:131992 +name: 5,6-EET(1-) +is_a: CHEBI:131865 ! EET(1-) [Term] -id: CHEBI:15946 -name: keto-D-fructose 6-phosphate -is_a: CHEBI:78697 ! D-fructose 6-phosphate +id: CHEBI:132001 +name: cholesteryl octadecenoate +is_a: CHEBI:17002 ! cholesteryl ester [Term] -id: CHEBI:15948 -name: lycopene -is_a: CHEBI:35162 ! acyclic carotene -relationship: has_part CHEBI:139114 ! carotenoid psi-end group -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:132002 +name: cholesteryl octadecadienoate +is_a: CHEBI:17002 ! cholesteryl ester [Term] -id: CHEBI:15949 -name: diphthamide -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:132003 +name: (10aS)-10,10a-dihydrophenazine-1-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63473 ! aromatic amino-acid anion [Term] -id: CHEBI:15955 -name: discadenine -is_a: CHEBI:38643 ! 6-isopentenylaminopurine -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +id: CHEBI:132004 +name: cholesteryl octadecatrienoate +is_a: CHEBI:17002 ! cholesteryl ester [Term] -id: CHEBI:15956 -name: biotin -is_a: CHEBI:51570 ! biotins -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:26348 ! prosthetic group -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75769 ! B vitamin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132005 +name: (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63473 ! aromatic amino-acid anion [Term] -id: CHEBI:15958 -name: phosphatidyl-N-methylethanolamine -is_a: CHEBI:16038 ! phosphatidylethanolamine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132006 +name: cholesteryl icosatetraenoate +is_a: CHEBI:17002 ! cholesteryl ester [Term] -id: CHEBI:15961 -name: O-phospho-L-homoserine -is_a: CHEBI:21969 ! O-phosphorylhomoserine -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132007 +name: cholesteryl icosapentaenoate +is_a: CHEBI:17002 ! cholesteryl ester [Term] -id: CHEBI:15963 -name: ribitol -is_a: CHEBI:25899 ! pentitol -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:132008 +name: 5,10-dihydrophenazine +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:15964 -name: cyclohexylsulfamic acid -is_a: CHEBI:35719 ! sulfamic acids -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:132011 +name: S-butyryl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:15965 -name: D-hexose phosphate -is_a: CHEBI:47878 ! hexose phosphate +id: CHEBI:132012 +name: S-hexanoyl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:15966 -name: D-glutamic acid -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:18237 ! glutamic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132013 +name: S-octanoyl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:15971 -name: L-histidine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:27570 ! histidine -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132014 +name: S-decanoyl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:15978 -name: sn-glycerol 3-phosphate -is_a: CHEBI:14336 ! glycerol 1-phosphate -is_a: CHEBI:26706 ! sn-glycerol 3-phosphates -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132015 +name: S-dodecanoyl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:15986 -name: polynucleotide -is_a: CHEBI:33695 ! information biomacromolecule -is_a: CHEBI:61120 ! nucleobase-containing molecular entity -relationship: has_part CHEBI:50319 ! nucleotide residue +id: CHEBI:132016 +name: 17-HETE(1-) +is_a: CHEBI:131858 ! HETE anion [Term] -id: CHEBI:15996 -name: GTP -is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate -is_a: CHEBI:37121 ! guanosine 5'-phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132017 +name: S-tetradecanoyl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:15999 -name: (4-hydroxyphenyl)pyruvic acid -is_a: CHEBI:25754 ! oxo carboxylic acid -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132018 +name: S-hexadecanoyl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:16000 -name: ethanolamine -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:23981 ! ethanolamines -is_a: CHEBI:32877 ! primary amine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132019 +name: 16-HETE(1-) +is_a: CHEBI:131858 ! HETE anion [Term] -id: CHEBI:16002 -name: D-glucaric acid -is_a: CHEBI:17301 ! glucaric acid -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:132020 +name: S-choloyl-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:16004 -name: (R)-lactate -is_a: CHEBI:24996 ! lactate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132021 +name: S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine(2-) +is_a: CHEBI:132023 ! S-acyl-4'-phosphopantetheine(2-) [Term] -id: CHEBI:16007 -name: methanethiol -is_a: CHEBI:47908 ! alkanethiol -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132022 +name: 12-hydroxyjasmonate +is_a: CHEBI:136810 ! 12-hydroxyjasmonates [Term] -id: CHEBI:16015 -name: L-glutamic acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:18237 ! glutamic acid -is_a: CHEBI:24318 ! glutamine family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132023 +name: S-acyl-4'-phosphopantetheine(2-) +is_a: CHEBI:67051 ! phosphopantetheine anion [Term] -id: CHEBI:16016 -name: dihydroxyacetone -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:24982 ! ketotriose -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132024 +name: 19-HETrE(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:84497 ! (omega-1)-hydroxy fatty acid anion [Term] -id: CHEBI:16019 -name: prenol -is_a: CHEBI:26244 ! prenols -is_a: CHEBI:50582 ! alkenyl alcohol +id: CHEBI:132025 +name: 21-HDoHE(1-) +is_a: CHEBI:131867 ! hydroxydocosahexaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:84497 ! (omega-1)-hydroxy fatty acid anion [Term] -id: CHEBI:16027 -name: adenosine 5'-monophosphate -is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate -is_a: CHEBI:37096 ! adenosine 5'-phosphate -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor -relationship: has_role CHEBI:65056 ! EC 3.1.3.11 (fructose-bisphosphatase) inhibitor -relationship: has_role CHEBI:65057 ! adenosine A1 receptor agonist -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132026 +name: 20-HETrE(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:16030 -name: acyldolichol -is_a: CHEBI:35701 ! ester +id: CHEBI:132028 +name: tauroursodeoxycholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:33554 ! organosulfonate oxoanion [Term] -id: CHEBI:16037 -name: 2-nitropropane -is_a: CHEBI:139218 ! secondary nitroalkane -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:48358 ! polar aprotic solvent -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50908 ! hepatotoxic agent +id: CHEBI:132030 +name: glycoursodeoxycholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:57670 ! N-acylglycinate [Term] -id: CHEBI:16038 -name: phosphatidylethanolamine -is_a: CHEBI:36314 ! glycerophosphoethanolamine +id: CHEBI:132031 +name: 13-hydroxytetradecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:84497 ! (omega-1)-hydroxy fatty acid anion [Term] -id: CHEBI:16039 -name: ITP -is_a: CHEBI:24843 ! inosine phosphate -is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132040 +name: fatty acid-taurine conjugate(1-) +is_a: CHEBI:134249 ! alkanesulfonate oxoanion [Term] -id: CHEBI:16040 -name: cytosine -is_a: CHEBI:26432 ! pyrimidine nucleobase -is_a: CHEBI:38337 ! pyrimidone -is_a: CHEBI:38338 ! aminopyrimidine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132042 +name: N-dodecanoyltaurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16042 -name: halide anion -is_a: CHEBI:33429 ! monoatomic monoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:132043 +name: N-tetradecanoyltaurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16051 -name: poly(ribitol phosphate) -is_a: CHEBI:26172 ! poly(ribitol phosphate)s +id: CHEBI:132044 +name: Deoxymethylsphingoid base +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:83876 ! cationic sphingoid [Term] -id: CHEBI:16052 -name: propene -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:32878 ! alkene -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:132045 +name: N-hexadecanoyltaurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16057 -name: prenyl diphosphate -is_a: CHEBI:26250 ! prenol phosphate -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:59544 ! phosphoantigen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132046 +name: Deoxysphingoid base +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:83876 ! cationic sphingoid [Term] -id: CHEBI:16064 -name: keto-3-deoxy-D-manno-octulosonate -is_a: CHEBI:24961 ! ketoaldonate +id: CHEBI:132047 +name: N-stearoyltaurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16066 -name: 11-cis-retinal -is_a: CHEBI:15035 ! retinal -relationship: has_role CHEBI:23240 ! chromophore -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132048 +name: N-icosanoyltaurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16077 -name: D-glucopyranose 1-phosphate -is_a: CHEBI:21006 ! D-glucose monophosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132049 +name: N-tetracosanoyltaurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16080 -name: gamma-amino-beta-hydroxybutyric acid -is_a: CHEBI:33707 ! gamma-amino acid -is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +id: CHEBI:132052 +name: (S)-demethyl-4-deoxygadusol +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:48953 ! cyclohexenones +is_a: CHEBI:51689 ! enone [Term] -id: CHEBI:16082 -name: UDP-alpha-D-xylose -is_a: CHEBI:17297 ! UDP-sugar -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132060 +name: N-arachidonoyltaurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16085 -name: UDP-alpha-D-galacturonic acid -is_a: CHEBI:13488 ! UDP-D-galacturonic acid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132061 +name: N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:16087 -name: isocitrate(3-) -is_a: CHEBI:27092 ! tricarboxylic acid trianion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132062 +name: N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1-) +is_a: CHEBI:132040 ! fatty acid-taurine conjugate(1-) [Term] -id: CHEBI:16091 -name: dolichol -is_a: CHEBI:24913 ! isoprenoid -is_a: CHEBI:26199 ! polyprenol -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132063 +name: (12S)-hydroperoxy-(14R,15S)-epoxy-(5Z,8Z,10E)-icosatrienoate +is_a: CHEBI:133652 ! hydroperoxy(epoxy)icosatrienoate [Term] -id: CHEBI:16094 -name: thiosulfate(2-) -is_a: CHEBI:33482 ! sulfur oxoanion -is_a: CHEBI:48154 ! sulfur oxide -is_a: CHEBI:79388 ! divalent inorganic anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132064 +name: 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoate(1-) +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:16096 -name: palmatine -is_a: CHEBI:22754 ! berberine alkaloid -is_a: CHEBI:38163 ! organic heterotetracyclic compound -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:132065 +name: (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate +is_a: CHEBI:133652 ! hydroperoxy(epoxy)icosatrienoate [Term] -id: CHEBI:16101 -name: ethylbenzene -is_a: CHEBI:38976 ! alkylbenzene +id: CHEBI:132066 +name: S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione +is_a: CHEBI:24337 ! glutathione derivative [Term] -id: CHEBI:16104 -name: 3-(2-hydroxyphenyl)propanoic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite -relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +id: CHEBI:132067 +name: (5S)-hydroperoxy-(14R,15S)-epoxy-(6E,8Z,11Z)-icosatrienoate +is_a: CHEBI:133652 ! hydroperoxy(epoxy)icosatrienoate [Term] -id: CHEBI:16108 -name: dihydroxyacetone phosphate -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:24356 ! glycerone phosphates -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132068 +name: (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate +is_a: CHEBI:133652 ! hydroperoxy(epoxy)icosatrienoate [Term] -id: CHEBI:16109 -name: propane-1,3-diol -is_a: CHEBI:26287 ! propane-1,3-diols -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:48356 ! protic solvent +id: CHEBI:132069 +name: (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate +is_a: CHEBI:36982 ! cyclic purine nucleotide [Term] -id: CHEBI:16110 -name: 1,2-diacyl-sn-glycero-3-phosphocholine(1+) -is_a: CHEBI:49183 ! phosphatidylcholine(1+) -relationship: has_role CHEBI:23888 ! drug -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132070 +name: eoxin A4(1-) +is_a: CHEBI:131873 ! EpETE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62942 ! leukotriene anion [Term] -id: CHEBI:16113 -name: cholesterol -is_a: CHEBI:131619 ! C27-steroid -is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid -is_a: CHEBI:35348 ! 3beta-sterol -is_a: CHEBI:50401 ! cholestanoid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132071 +name: N-arachidonoyl-L-alaninate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:16119 -name: shikimic acid -is_a: CHEBI:23483 ! cyclohexenecarboxylic acid -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132072 +name: N-arachidonoyl-gamma-aminobutyrate +is_a: CHEBI:133575 ! N-acyl-gamma-aminobutyrate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:16130 -name: DDT -is_a: CHEBI:23154 ! chlorophenylethane -is_a: CHEBI:25705 ! organochlorine insecticide -is_a: CHEBI:33836 ! benzenoid aromatic compound -is_a: CHEBI:83403 ! monochlorobenzenes -relationship: has_role CHEBI:138015 ! endocrine disruptor -relationship: has_role CHEBI:39412 ! bridged diphenyl acaricide -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:77853 ! persistent organic pollutant +id: CHEBI:132073 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycinate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:16132 -name: 2-deoxy-D-ribose 5-phosphate -is_a: CHEBI:19565 ! 2-deoxyribose 5-phosphate -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:132074 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:16133 -name: cyclopentanol -is_a: CHEBI:23495 ! cyclopentanols +id: CHEBI:132075 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoate +is_a: CHEBI:133575 ! N-acyl-gamma-aminobutyrate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:16134 -name: ammonia -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:35107 ! azane -is_a: CHEBI:37176 ! mononuclear parent hydride -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:59740 ! nucleophilic reagent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:132076 +name: N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycinate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:16136 -name: hydrogen sulfide -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:33405 ! hydracid -is_a: CHEBI:33535 ! sulfur hydride -is_a: CHEBI:37176 ! mononuclear parent hydride -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:27026 ! toxin -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132077 +name: N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:16137 -name: chondroitin D-glucuronate -is_a: CHEBI:37395 ! mucopolysaccharide -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132078 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutyrate +is_a: CHEBI:133575 ! N-acyl-gamma-aminobutyrate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:16148 -name: heptadecane -is_a: CHEBI:83563 ! long-chain alkane -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:132079 +name: resolvin D1(1-) +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:67079 ! anti-inflammatory agent [Term] -id: CHEBI:16150 -name: benzoate -is_a: CHEBI:22718 ! benzoates -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:132080 +name: 8-oxoresolvin D1(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:16152 -name: 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate -is_a: CHEBI:37328 ! phosphatidylinositol bisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132081 +name: 17-oxoresolvin D1(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:16160 -name: O-succinyl-L-homoserine -is_a: CHEBI:138979 ! hemisuccinate -is_a: CHEBI:21976 ! o-succinylhomoserine -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132083 +name: 18(S)-HEPE(1-) +is_a: CHEBI:90825 ! 18-HEPE(1-) [Term] -id: CHEBI:16162 -name: o-orsellinate -is_a: CHEBI:36084 ! dihydroxybenzoate +id: CHEBI:132085 +name: O(3)-(beta-D-xylosyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:16169 -name: homogentisate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132087 +name: 15(S)-HEPE(1-) +is_a: CHEBI:131874 ! HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:16174 -name: dADP -is_a: CHEBI:19237 ! 2'-deoxyadenosine 5'-phosphate -is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132088 +name: O(3)-(beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:16176 -name: D-ornithine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:18257 ! ornithine -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:13209 +name: long-chain fatty acid ethyl ester +is_a: CHEBI:78206 ! fatty acid ethyl ester [Term] -id: CHEBI:16179 -name: retinyl ester -is_a: CHEBI:26537 ! retinoid -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:132090 +name: O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:16183 -name: methane -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:18310 ! alkane -is_a: CHEBI:37176 ! mononuclear parent hydride -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:35230 ! fossil fuel -relationship: has_role CHEBI:76413 ! greenhouse gas -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:132091 +name: (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate +is_a: CHEBI:133653 ! hydroperoxy(hydroxy)icosapentaenoate [Term] -id: CHEBI:16188 -name: octan-1-ol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:37868 ! octanol -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:132093 +name: O(3)-(beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:16189 -name: sulfate -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:33482 ! sulfur oxoanion -is_a: CHEBI:48154 ! sulfur oxide -is_a: CHEBI:79388 ! divalent inorganic anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132104 +name: O(3)-(N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:16192 -name: 2'-deoxyguanosine 5'-monophosphate -is_a: CHEBI:23625 ! deoxyguanosine phosphate -is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate -is_a: CHEBI:63573 ! guanyl deoxyribonucleotide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132105 +name: O(3)-(N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:16196 -name: oleic acid -is_a: CHEBI:36021 ! octadec-9-enoic acid -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:46787 ! solvent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor -relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite +id: CHEBI:132114 +name: UDP-N-acetyl-alpha-D-galactosamine 4-sulfate(3-) +is_a: CHEBI:58188 ! UDP-N-acetyl-D-galactosamine 4-sulfate(3-) [Term] -id: CHEBI:16197 -name: N-acylsphingosine 1-phosphate -is_a: CHEBI:13956 ! ceramide 1-phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132115 +name: UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate(4-) +is_a: CHEBI:57806 ! UDP-N-acetyl-D-galactosamine 4,6-bissulfate(4-) [Term] -id: CHEBI:16199 -name: urea -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:33287 ! fertilizer -relationship: has_role CHEBI:64577 ! flour treatment agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:132116 +name: 2-hydroxyisobutanoyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA [Term] -id: CHEBI:16214 -name: dolichyl phosphate -is_a: CHEBI:23875 ! dolichol phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132117 +name: indolmycenic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:24810 ! indol-3-yl carboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16215 -name: phosphonate(2-) -is_a: CHEBI:33461 ! phosphorus oxoanion -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:132118 +name: S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione +is_a: CHEBI:24337 ! glutathione derivative [Term] -id: CHEBI:16220 -name: coniferin -is_a: CHEBI:20346 ! cinnamyl alcohol beta-D-glucoside -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:132120 +name: resolvin +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:26191 ! polyol +relationship: has_role CHEBI:140399 ! specialised pro-resolving mediator [Term] -id: CHEBI:16221 -name: sn-glycerol 1-phosphate -is_a: CHEBI:14336 ! glycerol 1-phosphate -is_a: CHEBI:37528 ! sn-glycerol 1-phosphates -relationship: has_role CHEBI:78947 ! archaeal metabolite +id: CHEBI:132122 +name: S-(2-methyl-1-oxobut-3-en-2-yl)glutathione +is_a: CHEBI:24337 ! glutathione derivative [Term] -id: CHEBI:16227 -name: pyridine -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent -is_a: CHEBI:38179 ! monocyclic heteroarene -is_a: CHEBI:50893 ! azaarene -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:132123 +name: 1,2-benzoquinones +is_a: CHEBI:22729 ! benzoquinones +is_a: CHEBI:25622 ! orthoquinones [Term] -id: CHEBI:16232 -name: N(6)-acyl-L-lysine -is_a: CHEBI:25095 ! L-lysine derivative -is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +id: CHEBI:132124 +name: 1,4-benzoquinones +is_a: CHEBI:22729 ! benzoquinones +is_a: CHEBI:25830 ! p-quinones [Term] -id: CHEBI:16234 -name: hydroxide -is_a: CHEBI:33693 ! oxygen hydride -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132125 +name: 2,4-didehydro-3-deoxy-L-rhamnonic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16235 -name: guanine -is_a: CHEBI:20702 ! 2-aminopurines -is_a: CHEBI:25810 ! oxopurine -is_a: CHEBI:26386 ! purine nucleobase -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132127 +name: hepoxilin A3(1-) +is_a: CHEBI:62938 ! hepoxilin anion [Term] -id: CHEBI:16236 -name: ethanol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:23982 ! ethanols -is_a: CHEBI:50584 ! alkyl alcohol -relationship: has_role CHEBI:35488 ! central nervous system depressant -relationship: has_role CHEBI:48218 ! antiseptic drug -relationship: has_role CHEBI:48219 ! disinfectant -relationship: has_role CHEBI:48354 ! polar solvent -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:60643 ! NMDA receptor antagonist -relationship: has_role CHEBI:64018 ! protein kinase C agonist -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132128 +name: 3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid +is_a: CHEBI:26660 ! sesterterpenoid +is_a: CHEBI:33823 ! enol +is_a: CHEBI:35952 ! 5-oxo monocarboxylic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +is_a: CHEBI:36130 ! cyclic terpene ketone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:16238 -name: FAD -is_a: CHEBI:24040 ! flavin adenine dinucleotide -relationship: has_role CHEBI:26348 ! prosthetic group -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132129 +name: (8S)-hepoxilin A3(1-) +is_a: CHEBI:132127 ! hepoxilin A3(1-) [Term] -id: CHEBI:16240 -name: hydrogen peroxide -is_a: CHEBI:24837 ! inorganic peroxide -is_a: CHEBI:26523 ! reactive oxygen species -relationship: has_role CHEBI:132717 ! bleaching agent -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:48219 ! disinfectant -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:59163 ! biomarker -relationship: has_role CHEBI:63248 ! oxidising agent -relationship: has_role CHEBI:63490 ! explosive -relationship: has_role CHEBI:65259 ! GABA antagonist -relationship: has_role CHEBI:68495 ! apoptosis inducer -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132130 +name: hydroxyquinone +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:36141 ! quinone [Term] -id: CHEBI:16243 -name: quercetin -is_a: CHEBI:25883 ! pentahydroxyflavone -is_a: CHEBI:52267 ! 7-hydroxyflavonol -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:37699 ! protein kinase inhibitor -relationship: has_role CHEBI:38161 ! chelator -relationship: has_role CHEBI:48578 ! radical scavenger -relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76989 ! phytoestrogen -relationship: has_role CHEBI:77020 ! EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor +id: CHEBI:132131 +name: 3,5-dimethylorsellinic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:16244 -name: 4-(trimethylammonio)butanoate -is_a: CHEBI:22860 ! amino-acid betaine -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132137 +name: (R)-demethyl-4-deoxygadusol +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:48953 ! cyclohexenones +is_a: CHEBI:51689 ! enone [Term] -id: CHEBI:16247 -name: phospholipid -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:132139 +name: (R)-demethyl-4-deoxygadusol(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:16261 -name: chitosan -is_a: CHEBI:22506 ! aminoglycan -is_a: CHEBI:72813 ! exopolysaccharide -relationship: has_role CHEBI:73182 ! plant activator -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132142 +name: 1,4-naphthoquinones +is_a: CHEBI:25481 ! naphthoquinone +is_a: CHEBI:25830 ! p-quinones [Term] -id: CHEBI:16264 -name: UDP-N-acetyl-alpha-D-glucosamine -is_a: CHEBI:35262 ! UDP-amino sugar -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132149 +name: prostaglandin D3(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:16265 -name: succinic semialdehyde -is_a: CHEBI:26643 ! aldehydic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132151 +name: beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:16271 -name: 2-exo-hydroxy-1,8-cineole -is_a: CHEBI:23243 ! cineole +id: CHEBI:132153 +name: hyaluronate +is_a: CHEBI:61469 ! polyanionic polymer +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:16283 -name: L-cystine -is_a: CHEBI:17376 ! cystine -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:83824 ! L-cysteine derivative -relationship: has_role CHEBI:64577 ! flour treatment agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132154 +name: N-acetyl-beta-D-glucosaminyl-(1->4)-[hyaluronate] +is_a: CHEBI:61469 ! polyanionic polymer +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:16284 -name: dATP -is_a: CHEBI:19237 ! 2'-deoxyadenosine 5'-phosphate -is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132155 +name: hydroxynaphthoquinone +is_a: CHEBI:132130 ! hydroxyquinone +is_a: CHEBI:25481 ! naphthoquinone [Term] -id: CHEBI:16285 -name: phytanic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:39417 ! branched-chain saturated fatty acid -is_a: CHEBI:62499 ! methyl-branched fatty acid +id: CHEBI:132157 +name: hydroxy-1,4-naphthoquinone +is_a: CHEBI:132142 ! 1,4-naphthoquinones +is_a: CHEBI:132155 ! hydroxynaphthoquinone [Term] -id: CHEBI:16288 -name: O-acetyl-L-homoserine -is_a: CHEBI:22195 ! acetyl-amino acid -is_a: CHEBI:7671 ! O-acetylhomoserine -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132174 +name: beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) +is_a: CHEBI:59985 ! beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) [Term] -id: CHEBI:16296 -name: D-tryptophan -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:27897 ! tryptophan -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:132177 +name: 2-hydroxy-3-methyl-2-butenoic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] -id: CHEBI:16301 -name: nitrite -is_a: CHEBI:33458 ! nitrogen oxoanion -is_a: CHEBI:62764 ! reactive nitrogen species -is_a: CHEBI:79389 ! monovalent inorganic anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132183 +name: (3S)-hydroxyadipyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:16311 -name: dCTP -is_a: CHEBI:37043 ! pyrimidine 2'-deoxyribonucleoside 5'-triphosphate -is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132188 +name: methionine sulfone +is_a: CHEBI:25230 ! methionine derivative +is_a: CHEBI:35850 ! sulfone +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:16313 -name: D-proline -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:26271 ! proline -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132198 +name: pentahydroxyanthraquinone +is_a: CHEBI:37485 ! hydroxyanthraquinones [Term] -id: CHEBI:16325 -name: lithocholic acid -is_a: CHEBI:131620 ! C24-steroid -is_a: CHEBI:3098 ! bile acid -is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132200 +name: 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:16327 -name: 2-oxosuccinamic acid -is_a: CHEBI:25754 ! oxo carboxylic acid -is_a: CHEBI:35735 ! dicarboxylic acid monoamide +id: CHEBI:132201 +name: 11(S)-hydroxy-14(S),15(S)-hepoxilin A3(1-) +is_a: CHEBI:62938 ! hepoxilin anion [Term] -id: CHEBI:16333 -name: 2-arylpropionic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:132202 +name: (2R)-CDP-glycerol +is_a: CHEBI:17885 ! CDP-glycerol [Term] -id: CHEBI:16335 -name: adenosine -is_a: CHEBI:22260 ! adenosines -relationship: has_role CHEBI:35480 ! analgesic -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:38070 ! anti-arrhythmia drug -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132210 +name: N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) +is_a: CHEBI:60057 ! N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) [Term] -id: CHEBI:16336 -name: hyaluronic acid -is_a: CHEBI:37395 ! mucopolysaccharide -is_a: CHEBI:72813 ! exopolysaccharide -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132211 +name: 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:16337 -name: phosphatidic acid -is_a: CHEBI:37739 ! glycerophospholipid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132218 +name: 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate +is_a: CHEBI:133653 ! hydroperoxy(hydroxy)icosapentaenoate [Term] -id: CHEBI:16345 -name: 3-sulfino-L-alanine -is_a: CHEBI:37783 ! organosulfinic acid -is_a: CHEBI:47910 ! S-substituted L-cysteine -relationship: has_role CHEBI:61966 ! metabotropic glutamate receptor agonist -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132219 +name: 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:133812 ! 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:16347 -name: (R)-carnitine -is_a: CHEBI:17126 ! carnitine -relationship: has_role CHEBI:27314 ! water-soluble vitamin -relationship: has_role CHEBI:33229 ! vitamin -relationship: has_role CHEBI:35679 ! antilipemic drug -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:66980 ! nootropic agent -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132224 +name: 4-O-(\{poly[(2R)-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer [Term] -id: CHEBI:16350 -name: 2'-deoxyribonucleoside 5'-diphosphate -is_a: CHEBI:37016 ! 2'-deoxyribonucleoside 5'-phosphate +id: CHEBI:132228 +name: (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16356 -name: 3',5'-cyclic GMP -is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide -is_a: CHEBI:61295 ! guanyl ribonucleotide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132232 +name: ethylenediaminetriacetic acid +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:31577 ! ethylenediamine derivative +is_a: CHEBI:60892 ! polyamino carboxylic acid +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:16364 -name: pyridine-2,5-diol -is_a: CHEBI:23793 ! dihydroxypyridine -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132233 +name: 1-phenylpropan-2-amine +is_a: CHEBI:32877 ! primary amine [Term] -id: CHEBI:16366 -name: anthocyanidin cation -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:47916 ! flavonoid +id: CHEBI:132240 +name: ethylenediaminediacetic acid +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:31577 ! ethylenediamine derivative +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:60892 ! polyamino carboxylic acid +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:16374 -name: menaquinone -is_a: CHEBI:25185 ! menaquinones -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132244 +name: (E)-3-(indol-3-yl)acrylic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] -id: CHEBI:16375 -name: D-cysteine -is_a: CHEBI:15356 ! cysteine -is_a: CHEBI:16733 ! D-alpha-amino acid +id: CHEBI:132245 +name: (2R,3S)-glycosmisic acid +is_a: CHEBI:91209 ! glycosmisic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:16380 -name: vindoline -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:27288 ! vinca alkaloid -is_a: CHEBI:38164 ! organic heteropentacyclic compound -is_a: CHEBI:38481 ! alkaloid ester -is_a: CHEBI:47622 ! acetate ester -is_a: CHEBI:50996 ! tertiary amino compound +id: CHEBI:132246 +name: all-trans-3,4-didehydroretinol +is_a: CHEBI:12777 ! vitamin A +is_a: CHEBI:26537 ! retinoid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite [Term] -id: CHEBI:16381 -name: 2'-deoxyribonucleoside 5'-triphosphate -is_a: CHEBI:37016 ! 2'-deoxyribonucleoside 5'-phosphate +id: CHEBI:132247 +name: (-)-DCA-CL +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:38830 ! 1-benzofurans +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:16382 -name: iodide -is_a: CHEBI:16042 ! halide anion -is_a: CHEBI:36897 ! monoatomic iodine -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132248 +name: N(4)-(N-acetyl-beta-D-glucosyl)-L-asparagine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:16385 -name: organic sulfide -is_a: CHEBI:26822 ! sulfide -is_a: CHEBI:33261 ! organosulfur compound +id: CHEBI:132249 +name: (-)-DCA-CC +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:38830 ! 1-benzofurans +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:16388 -name: 4-hydroxymandelic acid -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:132250 +name: (+)-DCA-CC +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:38830 ! 1-benzofurans +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:16389 -name: ubiquinones -is_a: CHEBI:132124 ! 1,4-benzoquinones -is_a: CHEBI:26255 ! prenylquinone -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132251 +name: (+)-DCA-CL +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:38830 ! 1-benzofurans +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:16393 -name: sphingosine -is_a: CHEBI:26743 ! sphing-4-enine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132253 +name: 12,18-didecarboxysirohaem +is_a: CHEBI:30413 ! heme +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16397 -name: formamide -is_a: CHEBI:24079 ! formamides -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:46787 ! solvent +id: CHEBI:132255 +name: N-arachidonoylserotonin +is_a: CHEBI:134175 ! N-acylserotonin +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:64033 ! EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:70774 ! capsaicin receptor antagonist +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16398 -name: D-threonine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:26986 ! threonine -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132256 +name: N-arachidonoyl-2-oxoserotonin +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38459 ! oxindoles +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16410 -name: pyridoxamine -is_a: CHEBI:27306 ! vitamin B6 -is_a: CHEBI:38182 ! monohydroxypyridine -is_a: CHEBI:38196 ! hydroxymethylpyridine -is_a: CHEBI:38198 ! aminoalkylpyridine -relationship: has_role CHEBI:38157 ! iron chelator -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76595 ! nephroprotective agent +id: CHEBI:132257 +name: (2S,3R)-glycosmisic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +is_a: CHEBI:91209 ! glycosmisic acid relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16411 -name: indole-3-acetic acid -is_a: CHEBI:24803 ! indole-3-acetic acids -is_a: CHEBI:25384 ! monocarboxylic acid -relationship: has_role CHEBI:22676 ! auxin -relationship: has_role CHEBI:37848 ! plant hormone +id: CHEBI:132258 +name: (2E,5E)-tetradecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:132259 +name: all-trans-4-hydroxyretinol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26537 ! retinoid relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16412 -name: lipopolysaccharide -is_a: CHEBI:35740 ! liposaccharide -is_a: CHEBI:65212 ! polysaccharide derivative -relationship: has_part CHEBI:64637 ! O-polysaccharide +id: CHEBI:132261 +name: (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16414 -name: L-valine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:26463 ! pyruvate family amino acid -is_a: CHEBI:27266 ! valine -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132262 +name: (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16422 -name: androst-4-ene-3,17-dione -is_a: CHEBI:19168 ! 17-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -is_a: CHEBI:50402 ! androstanoid -relationship: has_role CHEBI:50113 ! androgen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:132263 +name: (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16424 -name: phenylacetaldehyde -is_a: CHEBI:25973 ! phenylacetaldehydes -is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132264 +name: 5,10-dihydrophenazine-1,6-dicarboxylic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:39201 ! phenazines [Term] -id: CHEBI:16436 -name: CDP-choline -is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s -is_a: CHEBI:36700 ! phosphocholines -relationship: has_role CHEBI:35471 ! psychotropic drug -relationship: has_role CHEBI:63726 ! neuroprotective agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132265 +name: (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid +is_a: CHEBI:33856 ! aromatic amino acid +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16443 -name: D-tagatose -is_a: CHEBI:33954 ! tagatose -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78295 ! food component +id: CHEBI:132266 +name: (10aS)-10,10a-dihydrophenazine-1-carboxylic acid +is_a: CHEBI:33856 ! aromatic amino acid +is_a: CHEBI:39201 ! phenazines [Term] -id: CHEBI:16449 -name: alanine -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132269 +name: (3E)-octenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:16450 -name: 2'-deoxyuridine -is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132271 +name: (2E,5Z)-octadienoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:16452 -name: oxaloacetate(2-) -is_a: CHEBI:133294 ! oxo dicarboxylic acid dianion -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132274 +name: (14S,15R)-EET +is_a: CHEBI:34157 ! 14,15-EET [Term] -id: CHEBI:16454 -name: pantothenate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132275 +name: (14R,15S)-EET +is_a: CHEBI:34157 ! 14,15-EET [Term] -id: CHEBI:16457 -name: S,S-dimethyl-beta-propiothetin -is_a: CHEBI:35282 ! sulfonium betaine -relationship: has_role CHEBI:25728 ! osmolyte -relationship: has_role CHEBI:76507 ! marine metabolite +id: CHEBI:132276 +name: (11S,12R)-EET +is_a: CHEBI:34130 ! 11,12-EET +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16460 -name: polyprenol phosphate -is_a: CHEBI:26250 ! prenol phosphate -is_a: CHEBI:26875 ! terpenyl phosphate +id: CHEBI:132277 +name: (11R,12S)-EET +is_a: CHEBI:34130 ! 11,12-EET +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:16464 -name: salicyl alcohol -is_a: CHEBI:24679 ! hydroxybenzyl alcohol -is_a: CHEBI:33857 ! aromatic primary alcohol -relationship: has_role CHEBI:84087 ! human urinary metabolite +id: CHEBI:132278 +name: 1-O-[(9S,10R)-epoxystearoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64561 ! lysophosphatidylcholine 18:0 [Term] -id: CHEBI:16467 -name: L-arginine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:24318 ! glutamine family amino acid -is_a: CHEBI:29016 ! arginine -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:59163 ! biomarker -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132280 +name: 1-O-[(9R,10S)-epoxystearoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64561 ! lysophosphatidylcholine 18:0 [Term] -id: CHEBI:16469 -name: 17beta-estradiol -is_a: CHEBI:23965 ! estradiol -is_a: CHEBI:35343 ! 17beta-hydroxy steroid -relationship: has_role CHEBI:50114 ! estrogen -relationship: has_role CHEBI:62872 ! EC 1.2.3.1 (aldehyde oxidase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:132285 +name: 1-O-(8-hydroxyoleoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64566 ! lysophosphatidylcholine 18:1 [Term] -id: CHEBI:16474 -name: NADPH -is_a: CHEBI:13392 ! NAD(P)H -is_a: CHEBI:25523 ! NADP -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132286 +name: 1-O-(11-hydroxyoleoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64566 ! lysophosphatidylcholine 18:1 [Term] -id: CHEBI:16480 -name: nitric oxide -is_a: CHEBI:26523 ! reactive oxygen species -is_a: CHEBI:35196 ! nitrogen oxide -is_a: CHEBI:36871 ! inorganic radical -is_a: CHEBI:62764 ! reactive nitrogen species -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:35523 ! bronchodilator agent -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:48578 ! radical scavenger -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132297 +name: methamphetamine(1+) +is_a: CHEBI:137419 ! secondary ammonium ion [Term] -id: CHEBI:16482 -name: naphthalene -is_a: CHEBI:25477 ! naphthalenes -is_a: CHEBI:35426 ! ortho-fused bicyclic arene -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:68494 ! apoptosis inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:132302 +name: (8S,9R)-EET +is_a: CHEBI:34490 ! 8,9-EET +relationship: has_role CHEBI:50514 ! vasoconstrictor agent +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:16493 -name: 1-deoxy-D-xylulose 5-phosphate -is_a: CHEBI:27355 ! xylulose phosphate -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132303 +name: (8R,9S)-EET +is_a: CHEBI:34490 ! 8,9-EET +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:16494 -name: lipoic acid -is_a: CHEBI:39192 ! dithiolanes -is_a: CHEBI:48847 ! heterocyclic fatty acid -is_a: CHEBI:59643 ! thia fatty acid -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132306 +name: (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid +is_a: CHEBI:33856 ! aromatic amino acid +is_a: CHEBI:39201 ! phenazines [Term] -id: CHEBI:16497 -name: dGTP -is_a: CHEBI:23625 ! deoxyguanosine phosphate -is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate -is_a: CHEBI:63573 ! guanyl deoxyribonucleotide +id: CHEBI:132309 +name: S-butyryl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16498 -name: N-acylneuraminic acid -is_a: CHEBI:26667 ! sialic acid +id: CHEBI:132310 +name: S-acyl-4'-phosphopantetheine +is_a: CHEBI:26073 ! phosphopantetheine +is_a: CHEBI:51277 ! thioester [Term] -id: CHEBI:16510 -name: 3-hydroxypropionate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132311 +name: S-hexanoyl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16516 -name: 2'-deoxyribonucleoside triphosphate -is_a: CHEBI:17326 ! nucleoside triphosphate +id: CHEBI:132312 +name: S-octanoyl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16521 -name: lanosterol -is_a: CHEBI:138029 ! 14alpha-methyl steroid -is_a: CHEBI:26893 ! tetracyclic triterpenoid -is_a: CHEBI:35348 ! 3beta-sterol +id: CHEBI:132313 +name: S-decanoyl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16522 -name: trans-zeatin -is_a: CHEBI:15333 ! zeatin -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:132316 +name: S-dodecanoyl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16523 -name: D-serine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:17822 ! serine -relationship: has_role CHEBI:64571 ! NMDA receptor agonist -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132319 +name: S-tetradecanoyl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16526 -name: carbon dioxide -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:23014 ! carbon oxide -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:38867 ! anaesthetic -relationship: has_role CHEBI:46787 ! solvent -relationship: has_role CHEBI:48706 ! antagonist +id: CHEBI:132320 +name: S-hexadecanoyl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76413 ! greenhouse gas -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:77974 ! food packaging gas -relationship: has_role CHEBI:78017 ! food propellant -relationship: has_role CHEBI:78433 ! refrigerant [Term] -id: CHEBI:16534 -name: D-galactonic acid -is_a: CHEBI:24149 ! galactonic acid +id: CHEBI:132321 +name: S-choloyl-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16536 -name: orcinol -is_a: CHEBI:52679 ! 5-alkylresorcinol -is_a: CHEBI:64532 ! dihydroxytoluene -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:132322 +name: S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine +is_a: CHEBI:132310 ! S-acyl-4'-phosphopantetheine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16537 -name: galactarate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:48871 ! galactaric acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132323 +name: 19-HETrE +is_a: CHEBI:72793 ! HETrE +is_a: CHEBI:78954 ! (omega-1)-hydroxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16541 -name: protein polypeptide chain -is_a: CHEBI:15841 ! polypeptide -relationship: has_part CHEBI:33700 ! proteinogenic amino-acid residue +id: CHEBI:132324 +name: 20-HETrE +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:72793 ! HETrE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16551 -name: alpha,alpha-trehalose -is_a: CHEBI:27082 ! trehalose -is_a: CHEBI:27084 ! trehalose phosphate +id: CHEBI:132325 +name: 21-HDoHE +is_a: CHEBI:72790 ! hydroxydocosahexaenoic acid +is_a: CHEBI:78954 ! (omega-1)-hydroxy fatty acid relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16556 -name: CMP-N-acetyl-beta-neuraminic acid -is_a: CHEBI:16788 ! CMP-N-acyl-beta-neuraminic acid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132356 +name: 4-O-(\{poly[(2R)-2-glucosyl-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer [Term] -id: CHEBI:16566 -name: sphinganine -is_a: CHEBI:46968 ! 2-aminooctadecane-1,3-diol -relationship: has_role CHEBI:37700 ! EC 2.7.11.13 (protein kinase C) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132358 +name: 1alpha-hydroxytestosterone +is_a: CHEBI:131621 ! C19-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50402 ! androstanoid +is_a: CHEBI:71017 ! 1-hydroxy steroid [Term] -id: CHEBI:16567 -name: anthranilate -is_a: CHEBI:22494 ! aminobenzoate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132361 +name: O-(S-[2S,4S,6S]-2,4,6-trimethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:16583 -name: butane-2,3-dione -is_a: CHEBI:51869 ! alpha-diketone -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132362 +name: citrate(4-) +is_a: CHEBI:133748 ! citrate anion [Term] -id: CHEBI:16584 -name: isopentenyl diphosphate -is_a: CHEBI:26250 ! prenol phosphate -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:59132 ! antigen -relationship: has_role CHEBI:59544 ! phosphoantigen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132365 +name: EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor +is_a: CHEBI:76902 ! EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor [Term] -id: CHEBI:16591 -name: all-trans-undecaprenol -is_a: CHEBI:27191 ! undecaprenols -is_a: CHEBI:77396 ! long-chain primary fatty alcohol +id: CHEBI:132367 +name: beta-D-glucuronoside(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:16595 -name: 1D-myo-inositol 1,4,5-trisphosphate -is_a: CHEBI:25450 ! myo-inositol trisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132368 +name: glucuronate acceptor +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:16600 -name: mesaconic acid -is_a: CHEBI:35692 ! dicarboxylic acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132415 +name: O(3)-(poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:16602 -name: trichloroethene -is_a: CHEBI:23142 ! chloroethenes -relationship: has_role CHEBI:38870 ! inhalation anaesthetic -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132416 +name: O(3)-(N-acetyl-alpha-D-glucosaminyl-poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:16610 -name: spermidine -is_a: CHEBI:38751 ! triamine -is_a: CHEBI:39474 ! polyazaalkane -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132449 +name: wax ester 36:1 +is_a: CHEBI:10036 ! wax ester +relationship: has_role CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:16618 -name: 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate -is_a: CHEBI:60169 ! phosphatidylinositol trisphosphate +id: CHEBI:132473 +name: 13-hydroxytetradecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:78954 ! (omega-1)-hydroxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:132474 +name: fatty acid-taurine conjugate +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:33551 ! organosulfonic acid + +[Term] +id: CHEBI:132475 +name: N-dodecanoyltaurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16625 -name: methylmalonyl-CoA -is_a: CHEBI:25136 ! malonyl-CoAs -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132476 +name: N-tetradecanoyltaurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16634 -name: raffinose -is_a: CHEBI:27150 ! trisaccharide -is_a: CHEBI:74961 ! raffinose family oligosaccharide +id: CHEBI:132477 +name: N-hexadecanoyltaurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:16643 -name: L-methionine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:16811 ! methionine -is_a: CHEBI:22658 ! aspartate family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:74529 ! antidote to paracetamol poisoning +id: CHEBI:132479 +name: N-stearoyltaurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16646 -name: carbohydrate -is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives +id: CHEBI:13248 +name: anilide +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:62733 ! aromatic amide [Term] -id: CHEBI:16648 -name: dialkyl phosphate -is_a: CHEBI:22324 ! alkyl phosphate +id: CHEBI:132480 +name: N-icosanoyltaurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16650 -name: UDP-N-acetyl-D-galactosamine -is_a: CHEBI:35262 ! UDP-amino sugar +id: CHEBI:132494 +name: fatty acid 16:2 +is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] -id: CHEBI:16651 -name: (S)-lactate -is_a: CHEBI:24996 ! lactate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132499 +name: fatty acid 16:3 +is_a: CHEBI:73155 ! trienoic fatty acid [Term] -id: CHEBI:16659 -name: D-glycerate -is_a: CHEBI:33871 ! glycerate -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132502 +name: fatty acid 18:3 +is_a: CHEBI:73155 ! trienoic fatty acid [Term] -id: CHEBI:16666 -name: prephenic acid -is_a: CHEBI:36145 ! oxo dicarboxylic acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132503 +name: fatty acid 18:4 +is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] -id: CHEBI:16668 -name: hypotaurine -is_a: CHEBI:37794 ! aminosulfinic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:132505 +name: N-tetracosanoyltaurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16670 -name: peptide -is_a: CHEBI:37622 ! carboxamide -is_a: CHEBI:50047 ! organic amino compound -relationship: has_part CHEBI:33708 ! amino-acid residue +id: CHEBI:132506 +name: N-arachidonoyltaurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16675 -name: quinolinic acid -is_a: CHEBI:36112 ! pyridinedicarboxylic acid -relationship: has_role CHEBI:64571 ! NMDA receptor agonist +id: CHEBI:132507 +name: N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16680 -name: S-adenosyl-L-homocysteine -is_a: CHEBI:136505 ! homocysteine derivative -is_a: CHEBI:16385 ! organic sulfide -is_a: CHEBI:22260 ! adenosines -is_a: CHEBI:24610 ! homocysteines -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:65064 ! EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor -relationship: has_role CHEBI:65065 ! EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132508 +name: N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine +is_a: CHEBI:132474 ! fatty acid-taurine conjugate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:16684 -name: atropine -is_a: CHEBI:60911 ! racemate -relationship: has_part CHEBI:17486 ! (S)-atropine -relationship: has_part CHEBI:48882 ! (R)-atropine -relationship: has_role CHEBI:136860 ! antidote to sarin poisoning -relationship: has_role CHEBI:35523 ! bronchodilator agent -relationship: has_role CHEBI:38070 ! anti-arrhythmia drug -relationship: has_role CHEBI:48876 ! muscarinic antagonist -relationship: has_role CHEBI:50370 ! parasympatholytic -relationship: has_role CHEBI:50513 ! mydriatic agent -relationship: has_role CHEBI:60807 ! anaesthesia adjuvant -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:132510 +name: alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61935 ! alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16688 -name: ecdysone -is_a: CHEBI:23897 ! ecdysteroid -is_a: CHEBI:35348 ! 3beta-sterol -is_a: CHEBI:36859 ! 2beta-hydroxy steroid -is_a: CHEBI:36861 ! 14alpha-hydroxy steroid -is_a: CHEBI:36863 ! 22-hydroxy steroid -is_a: CHEBI:36864 ! 25-hydroxy steroid -is_a: CHEBI:36883 ! 6-oxo steroid -relationship: has_role CHEBI:71212 ! prohormone +id: CHEBI:132511 +name: alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61937 ! alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16689 -name: D-apiose -is_a: CHEBI:26938 ! tetrose +id: CHEBI:132515 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61942 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16690 -name: guanosine 3'-diphosphate 5'-triphosphate -is_a: CHEBI:37121 ! guanosine 5'-phosphate -is_a: CHEBI:37124 ! guanosine bisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132516 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61943 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16691 -name: dethiobiotin -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:47857 ! ureas -is_a: CHEBI:55370 ! imidazolidinone -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132517 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61944 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16692 -name: diphthamide residue -is_a: CHEBI:83228 ! L-alpha-amino acid residue +id: CHEBI:132519 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61945 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16695 -name: uridine 5'-monophosphate -is_a: CHEBI:27232 ! uridine 5'-phosphate -is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132520 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61946 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16696 -name: 3-methylthiopropylamine -is_a: CHEBI:16385 ! organic sulfide -is_a: CHEBI:50994 ! primary amino compound +id: CHEBI:132521 +name: alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61947 ! alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16698 -name: cyanamide -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:35487 ! EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor +id: CHEBI:132522 +name: alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61948 ! alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16701 -name: nucleoside 5'-phosphate -is_a: CHEBI:29075 ! mononucleotide +id: CHEBI:132523 +name: alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:61949 ! alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) [Term] -id: CHEBI:16704 -name: uridine -is_a: CHEBI:27242 ! uridines -relationship: has_role CHEBI:49103 ! drug metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132525 +name: oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:16705 -name: 6-aminopenicillanic acid -is_a: CHEBI:25865 ! penicillanic acids +id: CHEBI:132529 +name: N(4)-(oligosaccharide-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl)-L-asparagine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:16708 -name: adenine -is_a: CHEBI:20706 ! 6-aminopurines -is_a: CHEBI:26386 ! purine nucleobase -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:132537 +name: N(4)-(alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc)-L-asparaginyl residue +is_a: CHEBI:132529 ! N(4)-(oligosaccharide-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl)-L-asparagine residue [Term] -id: CHEBI:16709 -name: pyridoxine -is_a: CHEBI:25340 ! methylpyridines -is_a: CHEBI:27306 ! vitamin B6 -is_a: CHEBI:38182 ! monohydroxypyridine -is_a: CHEBI:38196 ! hydroxymethylpyridine -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132538 +name: fatty acid 20:1 +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:35366 ! fatty acid [Term] -id: CHEBI:16714 -name: codeine -is_a: CHEBI:25418 ! morphinane alkaloid -is_a: CHEBI:38164 ! organic heteropentacyclic compound -relationship: has_role CHEBI:35482 ! opioid analgesic -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:50266 ! prodrug -relationship: has_role CHEBI:51177 ! antitussive -relationship: has_role CHEBI:60606 ! opioid receptor agonist -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:132539 +name: fatty acid 20:4 +is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] -id: CHEBI:16715 -name: 1,5-anhydro-D-fructose -is_a: CHEBI:131907 ! 3-pyrones -is_a: CHEBI:22557 ! anhydrohexose -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:27136 ! triol -is_a: CHEBI:37407 ! cyclic ether -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:132540 +name: fatty acid 20:5 +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:35366 ! fatty acid [Term] -id: CHEBI:16716 -name: benzene -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:33842 ! aromatic annulene -relationship: has_role CHEBI:48355 ! non-polar solvent -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:132541 +name: fatty acid 22:1 +is_a: CHEBI:25413 ! monounsaturated fatty acid [Term] -id: CHEBI:16718 -name: (S)-reticuline -is_a: CHEBI:26533 ! reticuline -relationship: has_role CHEBI:77111 ! EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor +id: CHEBI:132543 +name: fatty acid 22:5 +is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] -id: CHEBI:16724 -name: 4-hydroxybutyrate -is_a: CHEBI:136596 ! 4-hydroxy monocarboxylic acid anion -is_a: CHEBI:58951 ! short-chain fatty acid anion -is_a: CHEBI:59835 ! hydroxy fatty acid anion -relationship: has_role CHEBI:38877 ! intravenous anaesthetic -relationship: has_role CHEBI:60807 ! anaesthesia adjuvant +id: CHEBI:132544 +name: fatty acid 22:6 +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:35366 ! fatty acid [Term] -id: CHEBI:16732 -name: CDP-ethanolamine -is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s -is_a: CHEBI:36711 ! phosphoethanolamine -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132554 +name: oligomer +is_a: CHEBI:25367 ! molecule [Term] -id: CHEBI:16733 -name: D-alpha-amino acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:132569 +name: O-(S-[2R,4R,6R,8R]-2,4,6,8-tetramethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:16737 -name: creatinine -is_a: CHEBI:24995 ! lactam -is_a: CHEBI:55370 ! imidazolidinone -relationship: has_role CHEBI:33295 ! diagnostic agent -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132570 +name: O-(S-[2R,4R,6R]-2,4,6-trimethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:64479 ! O-(pantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:16742 -name: orotic acid -is_a: CHEBI:26447 ! pyrimidinemonocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:132610 +name: phthalic acid monoester +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:35484 ! phthalate ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:132623 +name: nodakenetin +is_a: CHEBI:49080 ! marmesin +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:132671 +name: (12S)-hydroperoxy-(14R,15S)-epoxy-(5Z,8Z,10E)-icosatrienoic acid +is_a: CHEBI:134641 ! hydroperoxy(epoxy)icosatrienoic acid relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16749 -name: 1-phosphatidyl-1D-myo-inositol -is_a: CHEBI:28874 ! phosphatidylinositol +id: CHEBI:132678 +name: 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16750 -name: guanosine -is_a: CHEBI:24458 ! guanosines -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132681 +name: (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid +is_a: CHEBI:134641 ! hydroperoxy(epoxy)icosatrienoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16755 -name: chenodeoxycholic acid -is_a: CHEBI:131620 ! C24-steroid -is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid -is_a: CHEBI:3098 ! bile acid +id: CHEBI:132683 +name: (5S)-hydroperoxy-(14R,15S)-epoxy-(6E,8Z,11Z)-icosatrienoic acid +is_a: CHEBI:134641 ! hydroperoxy(epoxy)icosatrienoic acid relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16761 -name: ADP -is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate -is_a: CHEBI:37096 ! adenosine 5'-phosphate -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132708 +name: N-arachidonoyl-L-alanine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:83946 ! N-acyl-L-alanine +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16763 -name: 2-oxobutanoate -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion -is_a: CHEBI:58951 ! short-chain fatty acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132717 +name: bleaching agent +is_a: CHEBI:33893 ! reagent [Term] -id: CHEBI:16765 -name: tryptamine -is_a: CHEBI:27162 ! tryptamines -is_a: CHEBI:38631 ! aminoalkylindole -is_a: CHEBI:38958 ! indole alkaloid -is_a: CHEBI:64365 ! aralkylamino compound -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132722 +name: N-arachidonoyl-gamma-aminobutyric acid +is_a: CHEBI:134018 ! N-acyl-gamma-aminobutyric acid +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16768 -name: mycothiol -is_a: CHEBI:25441 ! mycothiols -is_a: CHEBI:29256 ! thiol -is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:63247 ! reducing agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:132725 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:61051 ! lipid hydroperoxide +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16777 -name: berbamunine -is_a: CHEBI:133004 ! bisbenzylisoquinoline alkaloid -is_a: CHEBI:24923 ! isoquinolinol -is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline +id: CHEBI:132727 +name: 11a-hydroxytetracycline zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:16783 -name: 1D-myo-inositol 1,3,4,5-tetrakisphosphate -is_a: CHEBI:25449 ! myo-inositol tetrakisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132734 +name: 6-methylpretetramide(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:16788 -name: CMP-N-acyl-beta-neuraminic acid -is_a: CHEBI:20878 ! CMP-sugar +id: CHEBI:132735 +name: 4-hydroxy-6-methylpretetramide(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:16789 -name: aldehydo-D-lyxose -is_a: CHEBI:62318 ! D-lyxose +id: CHEBI:132736 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:83946 ! N-acyl-L-alanine +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16794 -name: scopolamine -is_a: CHEBI:32955 ! epoxide -is_a: CHEBI:36243 ! propanoate ester -is_a: CHEBI:37332 ! tropane alkaloid -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35469 ! antidepressant -relationship: has_role CHEBI:48876 ! muscarinic antagonist -relationship: has_role CHEBI:50513 ! mydriatic agent -relationship: has_role CHEBI:50919 ! antiemetic -relationship: has_role CHEBI:53784 ! antispasmodic drug -relationship: has_role CHEBI:60807 ! anaesthesia adjuvant -relationship: has_role CHEBI:60809 ! adjuvant +id: CHEBI:132737 +name: 4-de(dimethylamino)-4-oxoanhydrotetracycline(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:16796 -name: melatonin -is_a: CHEBI:22160 ! acetamides -is_a: CHEBI:27162 ! tryptamines -relationship: has_role CHEBI:24621 ! hormone -relationship: has_role CHEBI:35488 ! central nervous system depressant -relationship: has_role CHEBI:35623 ! anticonvulsant -relationship: has_role CHEBI:48578 ! radical scavenger -relationship: has_role CHEBI:50847 ! immunological adjuvant -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132738 +name: N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:61051 ! lipid hydroperoxide +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16810 -name: 2-oxoglutarate(2-) -is_a: CHEBI:36147 ! oxo dicarboxylate -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132740 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoic acid +is_a: CHEBI:134018 ! N-acyl-gamma-aminobutyric acid +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:61051 ! lipid hydroperoxide +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16811 -name: methionine -is_a: CHEBI:26834 ! sulfur-containing amino acid -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132742 +name: lysophosphatidic acid +is_a: CHEBI:32957 ! lysophosphatidic acids [Term] -id: CHEBI:16813 -name: galactitol -is_a: CHEBI:24583 ! hexitol -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132746 +name: N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alanine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:83946 ! N-acyl-L-alanine +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16815 -name: enol-phenylpyruvate -is_a: CHEBI:26008 ! phenylpyruvate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:132747 +name: N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutyric acid +is_a: CHEBI:134018 ! N-acyl-gamma-aminobutyric acid +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:61051 ! lipid hydroperoxide +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:16826 -name: acyl monophosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37787 ! acyclic mixed acid anhydride +id: CHEBI:132749 +name: (S)-nandinine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:74518 ! anti-obesity agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:16827 -name: corticosterone -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:24261 ! glucocorticoid -is_a: CHEBI:35344 ! 21-hydroxy steroid -is_a: CHEBI:35346 ! 11beta-hydroxy steroid -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -is_a: CHEBI:61313 ! C21-steroid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132750 +name: 2-methylbutan-2-ol +is_a: CHEBI:2571 ! aliphatic alcohol +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:48356 ! protic solvent [Term] -id: CHEBI:16828 -name: L-tryptophan -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:27897 ! tryptophan -is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:35469 ! antidepressant -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132752 +name: 3-hydroxy-3-methylbut-1-ene +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:75767 ! animal metabolite relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:16830 -name: methylamine -is_a: CHEBI:17062 ! primary aliphatic amine -is_a: CHEBI:25274 ! methylamines -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132755 +name: triethanolammonium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:35225 ! buffer [Term] -id: CHEBI:16836 -name: 4-nitrophenol -is_a: CHEBI:88306 ! 4-nitrophenols -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132797 +name: 8-oxoresolvin D1 +is_a: CHEBI:132120 ! resolvin +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:23824 ! diol +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:59644 ! oxo fatty acid +relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16838 -name: polyphosphate -is_a: CHEBI:33461 ! phosphorus oxoanion +id: CHEBI:132800 +name: 17-oxoresolvin D1 +is_a: CHEBI:132120 ! resolvin +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:23824 ! diol +is_a: CHEBI:51689 ! enone +is_a: CHEBI:59644 ! oxo fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:168396 -name: mycophenolic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:37581 ! gamma-lactone -is_a: CHEBI:38831 ! 2-benzofurans -relationship: has_role CHEBI:25442 ! mycotoxin -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:53746 ! EC 1.1.1.205 (IMP dehydrogenase) inhibitor -relationship: has_role CHEBI:76964 ! Penicillium metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:132801 +name: 18(S)-HEPE +is_a: CHEBI:72802 ! 18-HEPE +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:16841 -name: bis(3-aminopropyl)amine -is_a: CHEBI:39474 ! polyazaalkane +id: CHEBI:132802 +name: (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid +is_a: CHEBI:134645 ! hydroperoxy(hydroxy)icosapentaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:16842 -name: formaldehyde -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:48219 ! disinfectant -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50904 ! allergen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:132803 +name: UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate +is_a: CHEBI:16544 ! UDP-N-acetyl-D-galactosamine 4,6-bissulfate [Term] -id: CHEBI:16846 -name: UDP-alpha-D-galactosamine -is_a: CHEBI:35262 ! UDP-amino sugar +id: CHEBI:132804 +name: UDP-N-acetyl-alpha-D-galactosamine 4-sulfate +is_a: CHEBI:17550 ! UDP-N-acetyl-D-galactosamine 4-sulfate [Term] -id: CHEBI:16848 -name: coenzyme gamma-F420-2 -is_a: CHEBI:26554 ! ribitol phosphate -is_a: CHEBI:59535 ! pyrimidoquinolines -relationship: has_role CHEBI:23354 ! coenzyme +id: CHEBI:132805 +name: beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:63436 ! carbohydrate acid derivative +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] -id: CHEBI:16851 -name: 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate -is_a: CHEBI:37328 ! phosphatidylinositol bisphosphate +id: CHEBI:132808 +name: (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid +is_a: CHEBI:134641 ! hydroperoxy(epoxy)icosatrienoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16855 -name: D-lysine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:25094 ! lysine -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:132809 +name: (8S)-hepoxilin A3 +is_a: CHEBI:36190 ! hepoxilin A3 [Term] -id: CHEBI:16856 -name: glutathione -is_a: CHEBI:29256 ! thiol -is_a: CHEBI:47923 ! tripeptide -is_a: CHEBI:83824 ! L-cysteine derivative -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:85046 ! skin lightening agent +id: CHEBI:132818 +name: apigenin 7-O-beta-L-glucoside +is_a: CHEBI:38686 ! dihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:75759 ! beta-L-glucoside [Term] -id: CHEBI:16857 -name: L-threonine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:22658 ! aspartate family amino acid -is_a: CHEBI:26986 ! threonine -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132832 +name: (+)-alpha-gurjunene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:38032 ! carbotricyclic compound relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:16862 -name: nucleoside diphosphate -is_a: CHEBI:25608 ! nucleoside phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132875 +name: N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:16073 ! N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate [Term] -id: CHEBI:16863 -name: 6-phospho-D-gluconate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:132876 +name: beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:15696 ! beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate [Term] -id: CHEBI:16864 -name: D-ribofuranosyl-ADP -is_a: CHEBI:17193 ! ADP-aldose +id: CHEBI:132877 +name: 4-O-[(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:16865 -name: gamma-aminobutyric acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33707 ! gamma-amino acid -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132883 +name: 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:61697 ! fatty acid derivative +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16867 -name: D-methionine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:16811 ! methionine +id: CHEBI:132886 +name: 11(S)-hydroxy-14(S),15(S)-hepoxilin A3 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:36200 ! hepoxilin +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:16890 -name: glycerol monophosphate -is_a: CHEBI:26707 ! glycerol phosphate +id: CHEBI:132906 +name: (-)-Tau-muurolol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:22975 ! cadinane sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:24127 ! fungicide +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:16891 -name: glyoxylic acid -is_a: CHEBI:26643 ! aldehydic acid -is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132908 +name: 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid +is_a: CHEBI:134645 ! hydroperoxy(hydroxy)icosapentaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:16893 -name: sphinganine 1-phosphate -is_a: CHEBI:77068 ! sphingoid 1-phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132909 +name: 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:16900 -name: chlorophyllide a -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:36244 ! dicarboxylic acid monoester -is_a: CHEBI:38206 ! chlorophyllide +id: CHEBI:132917 +name: 2-isopropylmalate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16905 -name: keto-D-fructose 1,6-bisphosphate -is_a: CHEBI:78682 ! D-fructose 1,6-bisphosphate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:132924 +name: sulfoglycolithocholate anion +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:16907 -name: 4-nitroquinoline N-oxide -is_a: CHEBI:26508 ! quinoline N-oxide -is_a: CHEBI:35716 ! C-nitro compound -relationship: has_role CHEBI:50903 ! carcinogenic agent +id: CHEBI:132938 +name: ethylmalonate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16908 -name: NADH -is_a: CHEBI:13389 ! NAD -is_a: CHEBI:13392 ! NAD(P)H -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132939 +name: ethylmalonate(2-) +is_a: CHEBI:132938 ! ethylmalonate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:16910 -name: mandelonitrile -is_a: CHEBI:23437 ! cyanohydrin +id: CHEBI:132940 +name: 1,3,7-trimethylurate +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:16914 -name: salicylic acid -is_a: CHEBI:25389 ! monohydroxybenzoic acid -relationship: has_role CHEBI:35441 ! antiinfective agent -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:37848 ! plant hormone -relationship: has_role CHEBI:50176 ! keratolytic drug -relationship: has_role CHEBI:73181 ! EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:132941 +name: 2-hydroxyglutarate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16916 -name: oligosaccharide phosphate -is_a: CHEBI:26816 ! carbohydrate phosphate -is_a: CHEBI:63563 ! oligosaccharide derivative +id: CHEBI:132942 +name: quinolinate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16918 -name: gallate -is_a: CHEBI:36085 ! trihydroxybenzoate -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:132943 +name: aspartate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16919 -name: creatine -is_a: CHEBI:24373 ! glycine derivative -is_a: CHEBI:24436 ! guanidines -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:63726 ! neuroprotective agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132944 +name: octadec-9-enoate +is_a: CHEBI:78049 ! octadecenoate [Term] -id: CHEBI:16927 -name: L-saccharopine -is_a: CHEBI:25095 ! L-lysine derivative -is_a: CHEBI:83229 ! amino acid opine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132946 +name: (R)-2-hydroxyglutaryl-CoA(5-) +is_a: CHEBI:78628 ! 2-hydroxyglutaryl-CoA(5-) [Term] -id: CHEBI:16933 -name: ergosterol -is_a: CHEBI:26125 ! phytosterols -is_a: CHEBI:35348 ! 3beta-sterol -is_a: CHEBI:50403 ! ergostanoid -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:132948 +name: pyridoxate +is_a: CHEBI:38181 ! pyridinemonocarboxylate [Term] -id: CHEBI:16934 -name: 3-cyano-L-alanine -is_a: CHEBI:60974 ! cyanoamino acid -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132950 +name: tartrate +is_a: CHEBI:33798 ! tetraric acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16942 -name: lipid X -is_a: CHEBI:21635 ! N-acyl-D-glucosamine 1-phosphate -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132951 +name: maleate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16946 -name: L-kynurenine -is_a: CHEBI:28683 ! kynurenine -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132952 +name: oxalate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16947 -name: citrate(3-) -is_a: CHEBI:133748 ! citrate anion -is_a: CHEBI:27092 ! tricarboxylic acid trianion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132953 +name: suberate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16953 -name: N-acetyl-L-aspartate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:86264 ! rat metabolite +id: CHEBI:132954 +name: sebacate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16958 -name: beta-alanine -is_a: CHEBI:33706 ! beta-amino acid -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:35222 ! inhibitor -relationship: has_role CHEBI:48705 ! agonist -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132955 +name: azelaate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:16960 -name: ADP-D-ribose -is_a: CHEBI:35239 ! ADP-sugar -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132957 +name: N-acetylmethioninate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:16961 -name: monoacylglycerol phosphate -is_a: CHEBI:26707 ! glycerol phosphate -is_a: CHEBI:37739 ! glycerophospholipid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:132958 +name: N-acetylmethionine +is_a: CHEBI:25230 ! methionine derivative +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:51569 ! N-acyl-amino acid +is_a: CHEBI:86315 ! methyl sulfide [Term] -id: CHEBI:16962 -name: cortisone -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:24261 ! glucocorticoid -is_a: CHEBI:35342 ! 17alpha-hydroxy steroid -is_a: CHEBI:35344 ! 21-hydroxy steroid -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:47787 ! 11-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -is_a: CHEBI:61313 ! C21-steroid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132960 +name: 3-phosphoglycerate +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:16964 -name: 5-hydroxymethyluracil -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:38337 ! pyrimidone -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132966 +name: hippurate +is_a: CHEBI:57670 ! N-acylglycinate [Term] -id: CHEBI:16966 -name: heteroglycan -is_a: CHEBI:18154 ! polysaccharide +id: CHEBI:132970 +name: 5-ammoniolevulinic acid +is_a: CHEBI:65296 ! primary ammonium ion [Term] -id: CHEBI:16973 -name: 11-deoxycorticosterone -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:25354 ! mineralocorticoid -is_a: CHEBI:35344 ! 21-hydroxy steroid -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132977 +name: 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:16975 -name: 1-acyl-sn-glycerol 3-phosphate -is_a: CHEBI:17088 ! monoacyl-sn-glycerol 3-phosphate -is_a: CHEBI:76629 ! 2-lysophosphatidic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:132978 +name: 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:16977 -name: L-alanine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:16449 ! alanine -is_a: CHEBI:26463 ! pyruvate family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132987 +name: alliin zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77307 ! cardioprotective agent [Term] -id: CHEBI:16988 -name: D-ribose -is_a: CHEBI:33942 ! ribose -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:132988 +name: bradykinin(2+) +is_a: CHEBI:60466 ! peptide zwitterion [Term] -id: CHEBI:16990 -name: bilirubin -is_a: CHEBI:35692 ! dicarboxylic acid -is_a: CHEBI:36735 ! biladienes -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132989 +name: O-acetylhomoserine zwitterion +is_a: CHEBI:78608 ! alpha-amino acid zwitterion [Term] -id: CHEBI:16991 -name: deoxyribonucleic acid -is_a: CHEBI:33696 ! nucleic acid -relationship: has_part CHEBI:33793 ! canonical deoxyribonucleoside residue -relationship: has_part CHEBI:50298 ! canonical deoxyribonucleotide residue -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:132992 +name: radiosensitizing agent +is_a: CHEBI:23888 ! drug [Term] -id: CHEBI:16995 -name: oxalic acid -is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133000 +name: pregnenolone sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion [Term] -id: CHEBI:16998 -name: D-phenylalanine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:28044 ! phenylalanine +id: CHEBI:133004 +name: bisbenzylisoquinoline alkaloid +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid [Term] -id: CHEBI:17000 -name: tropate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:133011 +name: oxytetracycline zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:17009 -name: GDP-L-fucose -is_a: CHEBI:64608 ! GDP-fucose +id: CHEBI:133012 +name: 5a,11a-dehydrooxytetracycline zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:17012 -name: N-acetylneuraminic acid -is_a: CHEBI:21622 ! N-acetylneuraminic acids -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:52425 ! EC 3.2.1.18 (exo-alpha-sialidase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133029 +name: S-octanoyl-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:17013 -name: dTMP -is_a: CHEBI:15245 ! thymidine 5'-monophosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:133039 +name: 1-(2-aminophenyl)decane-1,3-dione +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:76224 ! aromatic ketone [Term] -id: CHEBI:17015 -name: riboflavin -is_a: CHEBI:30527 ! flavin -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:47868 ! photosensitizing agent -relationship: has_role CHEBI:75769 ! B vitamin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77182 ! food colouring +id: CHEBI:133041 +name: L-leucyl-L-glutamyl zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:17020 -name: glucomannan -is_a: CHEBI:61298 ! D-glucose- and/or D-galactose-substituted mannan -relationship: has_role CHEBI:50733 ! nutraceutical +id: CHEBI:133042 +name: L-leucyl-L-aspartyl zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:17026 -name: progesterone -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -is_a: CHEBI:64600 ! C21-steroid hormone -relationship: has_role CHEBI:49323 ! contraceptive drug -relationship: has_role CHEBI:59826 ! progestin -relationship: has_role CHEBI:70709 ! progesterone receptor agonist -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133043 +name: L-leucyl-L-lysyl(2+) group +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17029 -name: chitin -is_a: CHEBI:21638 ! N-acylglucosamine -is_a: CHEBI:22506 ! aminoglycan -relationship: has_role CHEBI:73336 ! vulnerary -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133044 +name: L-leucyl-L-arginyl(2+) group +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17032 -name: 2-dehydro-3-deoxy-D-gluconic acid -is_a: CHEBI:24963 ! ketoaldonic acid -is_a: CHEBI:33752 ! hexonic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133045 +name: L-methionyl-L-aspartyl zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:17051 -name: fluoride -is_a: CHEBI:16042 ! halide anion -is_a: CHEBI:36895 ! monoatomic fluorine +id: CHEBI:133050 +name: N-tetradecanoylglycyl group +is_a: CHEBI:27207 ! univalent carboacyl group [Term] -id: CHEBI:17053 -name: L-aspartic acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:22658 ! aspartate family amino acid -is_a: CHEBI:22660 ! aspartic acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133063 +name: N(alpha)-acetyl-L-methionyl-L-aspartyl(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:17057 -name: cellobiose -is_a: CHEBI:24405 ! glycosylglucose -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133084 +name: prostaglandin G1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:17061 -name: D-glutamine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:28300 ! glutamine -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:133103 +name: (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate +is_a: CHEBI:131647 ! androstane sulfate +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid [Term] -id: CHEBI:17062 -name: primary aliphatic amine -is_a: CHEBI:32877 ! primary amine +id: CHEBI:133105 +name: (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion [Term] -id: CHEBI:17066 -name: (R)-3-hydroxybutyric acid -is_a: CHEBI:20067 ! 3-hydroxybutyric acid -is_a: CHEBI:73693 ! ketone body -relationship: has_role CHEBI:26013 ! pheromone -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133131 +name: spiro-epoxide +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:37948 ! oxaspiro compound [Term] -id: CHEBI:17069 -name: 3-hydroxybenzyl alcohol -is_a: CHEBI:24679 ! hydroxybenzyl alcohol -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:133132 +name: prostaglandin E3(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17076 -name: streptomycin -is_a: CHEBI:26788 ! streptomycins -is_a: CHEBI:87113 ! antibiotic antifungal drug -is_a: CHEBI:87114 ! antibiotic fungicide -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:36043 ! antimicrobial drug -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:86328 ! antifungal agrochemical +id: CHEBI:133133 +name: prostaglandin G3(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17084 -name: 2-hydroxyglutaric acid -is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:133134 +name: prostaglandin H3(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17087 -name: ketone -is_a: CHEBI:36586 ! carbonyl compound +id: CHEBI:133135 +name: chromenochromene +is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] -id: CHEBI:17088 -name: monoacyl-sn-glycerol 3-phosphate -is_a: CHEBI:16961 ! monoacylglycerol phosphate -is_a: CHEBI:26706 ! sn-glycerol 3-phosphates +id: CHEBI:133172 +name: 2-hydroxydecanoic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid [Term] -id: CHEBI:17089 -name: glycoprotein -is_a: CHEBI:33837 ! conjugated protein -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:133174 +name: 2-hydroxydecanoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion [Term] -id: CHEBI:17097 -name: biphenyl -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:22888 ! biphenyls -is_a: CHEBI:87034 ! aromatic fungicide -relationship: has_role CHEBI:65256 ! antimicrobial food preservative -relationship: has_role CHEBI:86328 ! antifungal agrochemical +id: CHEBI:133220 +name: tuberonic acid +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:36140 ! cyclopentanones +relationship: has_role CHEBI:24937 ! jasmonates +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:17102 -name: phosphoramide -is_a: CHEBI:33256 ! primary amide +id: CHEBI:133221 +name: 2-oxindole-3-acetic acid +is_a: CHEBI:24803 ! indole-3-acetic acids +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38459 ! oxindoles +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:17108 -name: D-arabinose -is_a: CHEBI:22599 ! arabinose -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:133241 +name: omega-carboxyacyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:17111 -name: 5-O-phosphono-alpha-D-ribofuranosyl diphosphate -is_a: CHEBI:48956 ! 5-O-phosphono-D-ribofuranosyl diphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133242 +name: O-[S-(medium-chain acyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:17115 -name: L-serine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:17822 ! serine -is_a: CHEBI:26650 ! serine family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133243 +name: O-[S-(long-chain acyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:17120 -name: hexanoate -is_a: CHEBI:58951 ! short-chain fatty acid anion -is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion -is_a: CHEBI:78116 ! fatty acid anion 6:0 -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133249 +name: saturated fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde [Term] -id: CHEBI:17126 -name: carnitine -is_a: CHEBI:22860 ! amino-acid betaine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133251 +name: 3-hydroxydicarboxylate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17128 -name: adipate(2-) -is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:133291 +name: saturated dicarboxylic acid dianion(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17129 -name: (S)-scoulerine -is_a: CHEBI:22754 ! berberine alkaloid -is_a: CHEBI:38163 ! organic heterotetracyclic compound -relationship: has_role CHEBI:50276 ! EC 5.99.1.2 (DNA topoisomerase) inhibitor -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133292 +name: 3-oxo fatty acid anion +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion [Term] -id: CHEBI:17134 -name: octopamine -is_a: CHEBI:25990 ! phenylethanolamines -is_a: CHEBI:27175 ! tyramines -relationship: has_role CHEBI:25512 ! neurotransmitter +id: CHEBI:133294 +name: oxo dicarboxylic acid dianion +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17135 -name: long-chain fatty alcohol -is_a: CHEBI:24026 ! fatty alcohol +id: CHEBI:133300 +name: O-\{S-[17-(4-hydroxyphenyl)heptadecanoyl]pantetheine-4'-phosphoryl}serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:17137 -name: hydrogensulfite -is_a: CHEBI:33482 ! sulfur oxoanion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133301 +name: O-\{S-[19-(4-hydroxyphenyl)nonadecanoyl]pantetheine-4'-phosphoryl}serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:17138 -name: glyceraldehyde 3-phosphate -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:35142 ! aldotriose phosphate -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133304 +name: S-anthraniloyl-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:17140 -name: D-xylulose -is_a: CHEBI:27353 ! xylulose -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133309 +name: 12-dehydro-leukotriene B4(1-) +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:17148 -name: putrescine -is_a: CHEBI:35411 ! alkane-alpha,omega-diamine -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:133318 +name: hydroxy fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde +is_a: CHEBI:50413 ! hydroxyaldehyde [Term] -id: CHEBI:17151 -name: xylitol -is_a: CHEBI:25899 ! pentitol -relationship: has_role CHEBI:50505 ! sweetening agent -relationship: has_role CHEBI:50904 ! allergen -relationship: has_role CHEBI:59174 ! hapten -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133319 +name: 10,11-dihydro-12-oxoleukotriene B4(1-) +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:17154 -name: nicotinamide -is_a: CHEBI:25529 ! pyridinecarboxamide -is_a: CHEBI:26416 ! pyridine alkaloid -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor -relationship: has_role CHEBI:62913 ! EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor -relationship: has_role CHEBI:63726 ! neuroprotective agent -relationship: has_role CHEBI:67079 ! anti-inflammatory agent -relationship: has_role CHEBI:71181 ! Sir2 inhibitor +id: CHEBI:13332 +name: GDP-beta-L-fucose +is_a: CHEBI:17009 ! GDP-L-fucose relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:17158 -name: methylglyoxal -is_a: CHEBI:26282 ! propanals -is_a: CHEBI:27659 ! 2-oxo aldehyde -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133331 +name: metal oxide +is_a: CHEBI:24836 ! inorganic oxide [Term] -id: CHEBI:17164 -name: stachyose -is_a: CHEBI:50126 ! tetrasaccharide -is_a: CHEBI:74961 ! raffinose family oligosaccharide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133345 +name: 10-HETE(1-) +is_a: CHEBI:131858 ! HETE anion [Term] -id: CHEBI:17167 -name: (R)-lactaldehyde -is_a: CHEBI:18419 ! lactaldehyde -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133346 +name: 12-oxo-20-hydroxyleukotriene B4(1-) +is_a: CHEBI:62942 ! leukotriene anion [Term] -id: CHEBI:17168 -name: 5alpha-cholest-7-en-3beta-ol -is_a: CHEBI:131619 ! C27-steroid -is_a: CHEBI:138130 ! Delta(7)-sterol -is_a: CHEBI:35348 ! 3beta-sterol -is_a: CHEBI:50401 ! cholestanoid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133351 +name: N-carbamoylglycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:47857 ! ureas +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:17170 -name: dimethylamine -is_a: CHEBI:25274 ! methylamines -is_a: CHEBI:50981 ! secondary aliphatic amine -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:133356 +name: L-methionyl-L-asparaginyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17172 -name: 2'-deoxyguanosine -is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133358 +name: N(alpha)-acetyl-L-methionyl-L-asparaginyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17176 -name: long-chain fatty aldehyde -is_a: CHEBI:35746 ! fatty aldehyde +id: CHEBI:133359 +name: L-methionyl-L-glutamyl zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:17177 -name: cinnamyl alcohol -is_a: CHEBI:15734 ! primary alcohol -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133360 +name: N(alpha)-acetyl-L-methionyl-L-glutamyl(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:17187 -name: pinene -is_a: CHEBI:35187 ! monoterpene +id: CHEBI:133361 +name: L-methionyl-L-glutaminyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17188 -name: nucleoside 5'-monophosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:133362 +name: N-acetyl-L-methionyl-L-glutaminyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17191 -name: L-isoleucine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:22658 ! aspartate family amino acid -is_a: CHEBI:24898 ! isoleucine -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133367 +name: resolvin D2(1-) +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:17192 -name: 3,5-dibromo-4-hydroxybenzonitrile -is_a: CHEBI:24730 ! hydroxynitrile -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:37147 ! dibromobenzene -relationship: has_role CHEBI:24527 ! herbicide -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:133369 +name: N-acetylglycyl residue +is_a: CHEBI:134472 ! N-acyl-alpha-aminoacyl group [Term] -id: CHEBI:17193 -name: ADP-aldose -is_a: CHEBI:35239 ! ADP-sugar +id: CHEBI:133370 +name: prostaglandin A2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17196 -name: L-asparagine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:22653 ! asparagine -is_a: CHEBI:22658 ! aspartate family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133371 +name: N-acetyl-L-valyl residue +is_a: CHEBI:134472 ! N-acyl-alpha-aminoacyl group [Term] -id: CHEBI:17200 -name: UDP-alpha-D-glucuronic acid -is_a: CHEBI:17297 ! UDP-sugar -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133372 +name: N-acetyl-L-cysteinyl residue +is_a: CHEBI:134472 ! N-acyl-alpha-aminoacyl group [Term] -id: CHEBI:17202 -name: IMP -is_a: CHEBI:24843 ! inosine phosphate -is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133374 +name: 13,14-dihydro-15-keto-PGF2alpha(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17203 -name: L-proline -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:24318 ! glutamine family amino acid -is_a: CHEBI:26271 ! proline -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:23366 ! compatible osmolytes -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133375 +name: N-acetyl-L-threonyl residue +is_a: CHEBI:134472 ! N-acyl-alpha-aminoacyl group [Term] -id: CHEBI:17210 -name: (S)-4-hydroxymandelate -is_a: CHEBI:32804 ! 4-hydroxymandelate +id: CHEBI:133377 +name: L-methionyl-L-leucyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17211 -name: geranyl diphosphate -is_a: CHEBI:37531 ! polyprenol diphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133378 +name: N-acetyl-L-methionyl-L-leucyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17217 -name: 2-butenoic acid -is_a: CHEBI:22959 ! butenoic acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +id: CHEBI:133379 +name: N-acetyl-L-methionyl-L-isoleucyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:1722 -name: 3beta-hydroxy-Delta(5)-steroid -is_a: CHEBI:36836 ! 3beta-hydroxy steroid +id: CHEBI:133380 +name: L-methionyl-L-isoleucyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17230 -name: homocysteine -is_a: CHEBI:24610 ! homocysteines -is_a: CHEBI:26834 ! sulfur-containing amino acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:133381 +name: 9,10-epoxy-18-hydroxyoctadecanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:17231 -name: m-cresol -is_a: CHEBI:25399 ! cresol -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:133382 +name: N-acetyl-L-methionyl-L-phenylalanyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17234 -name: glucose -is_a: CHEBI:33917 ! aldohexose -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:133383 +name: L-methionyl-L-phenylalanyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17239 -name: CDP -is_a: CHEBI:23521 ! cytidine 5'-phosphate -is_a: CHEBI:37039 ! pyrimidine ribonucleoside 5'-diphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133384 +name: N-acetyl-L-methionyl-L-tyrosyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17242 -name: dehydroascorbic acid -is_a: CHEBI:47016 ! tetrahydrofuranone -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:133385 +name: L-methionyl-L-tyrosyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17245 -name: carbon monoxide -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:23014 ! carbon oxide -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor -relationship: has_role CHEBI:50183 ! P450 inhibitor -relationship: has_role CHEBI:50406 ! probe -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:52214 ! ligand -relationship: has_role CHEBI:59163 ! biomarker -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133386 +name: N-acetyl-L-methionyl-L-tryptophyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17249 -name: D-nopaline -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:27093 ! tricarboxylic acid -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:83229 ! amino acid opine -is_a: CHEBI:83965 ! L-arginine derivative -is_a: CHEBI:83983 ! D-glutamic acid derivative +id: CHEBI:133387 +name: L-methionyl-L-tryptophyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17252 -name: 17alpha-hydroxyprogesterone -is_a: CHEBI:138141 ! 17alpha-hydroxy-C21-steroid -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:35342 ! 17alpha-hydroxy steroid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:59826 ! progestin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133391 +name: prostaglandin B2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17256 -name: 2'-deoxyadenosine -is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133392 +name: prostaglandin C2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17258 -name: 7H-purine -is_a: CHEBI:35584 ! purine +id: CHEBI:133393 +name: prostaglandin B1(1-) +is_a: CHEBI:26335 ! prostaglandins B +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17263 -name: estrone -is_a: CHEBI:19168 ! 17-oxo steroid -is_a: CHEBI:36834 ! 3-hydroxy steroid -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50114 ! estrogen -relationship: has_role CHEBI:50646 ! bone density conservation agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133396 +name: prostaglandin J2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17266 -name: L-sorbose -is_a: CHEBI:27922 ! sorbose -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133398 +name: L-methionyl-L-alanyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17268 -name: myo-inositol -is_a: CHEBI:24848 ! inositol -relationship: has_role CHEBI:23366 ! compatible osmolytes -relationship: has_role CHEBI:33284 ! nutrient -relationship: has_role CHEBI:64763 ! EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:133399 +name: N-acetyl-L-methionyl-L-alanyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17270 -name: glycerol 2-phosphate -is_a: CHEBI:16890 ! glycerol monophosphate -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133400 +name: N-acetyl-L-methionyl-L-seryl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17272 -name: propionate -is_a: CHEBI:78113 ! fatty acid anion 3:0 -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133401 +name: L-methionyl-L-seryl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17287 -name: N-phosphocreatine -is_a: CHEBI:26051 ! phosphoamino acid -is_a: CHEBI:64618 ! phosphagen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133402 +name: N-acetyl-L-methionyl-L-valyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17290 -name: (S)-3-hydroxybutyric acid -is_a: CHEBI:20067 ! 3-hydroxybutyric acid +id: CHEBI:133403 +name: L-methionyl-L-valyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17295 -name: L-phenylalanine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:28044 ! phenylalanine -is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133404 +name: N-acetyl-L-methionyl-L-threonyl residue +is_a: CHEBI:25907 ! peptidyl group [Term] -id: CHEBI:17296 -name: aniline -is_a: CHEBI:22562 ! anilines -is_a: CHEBI:50471 ! primary arylamine +id: CHEBI:133405 +name: L-methionyl-L-threonyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17297 -name: UDP-sugar -is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar +id: CHEBI:133406 +name: N-acetyl-L-methionyl-L-lysyl(1+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17300 -name: tetrachloroethene -is_a: CHEBI:23142 ! chloroethenes -is_a: CHEBI:39226 ! chlorocarbon -relationship: has_role CHEBI:50909 ! nephrotoxic agent +id: CHEBI:133407 +name: L-methionyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group [Term] -id: CHEBI:17301 -name: glucaric acid -is_a: CHEBI:24577 ! hexaric acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133408 +name: 13,14-dihydro-15-oxoprostaglandin E1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17303 -name: morphine -is_a: CHEBI:25418 ! morphinane alkaloid -is_a: CHEBI:38164 ! organic heteropentacyclic compound -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:35482 ! opioid analgesic -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:38867 ! anaesthetic -relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:133409 +name: 15-oxoprostaglandin F2alpha(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17306 -name: maltose -is_a: CHEBI:17593 ! maltooligosaccharide -is_a: CHEBI:24405 ! glycosylglucose -relationship: has_role CHEBI:50505 ! sweetening agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133411 +name: 13,14-dihydro-15-keto-PGF1alpha(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17309 -name: pectin -is_a: CHEBI:24174 ! galacturonan -relationship: has_role CHEBI:55323 ! antidiarrhoeal drug -relationship: has_role CHEBI:63047 ! food emulsifier -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77966 ! food stabiliser -relationship: has_role CHEBI:77970 ! food thickening agent -relationship: has_role CHEBI:78016 ! food gelling agent +id: CHEBI:133414 +name: N-acetyl-L-methionyl residue +is_a: CHEBI:78598 ! N-acetylamino-acid residue [Term] -id: CHEBI:17310 -name: pyridoxal -is_a: CHEBI:25340 ! methylpyridines -is_a: CHEBI:27306 ! vitamin B6 -is_a: CHEBI:38182 ! monohydroxypyridine -is_a: CHEBI:38187 ! pyridinecarbaldehyde -is_a: CHEBI:38196 ! hydroxymethylpyridine -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133415 +name: O-(S-malonamoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:17315 -name: D-glucosamine -is_a: CHEBI:5417 ! glucosamine -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133417 +name: O-[S-(18-carbamoyl-3,5,7,9,11,13,15,17-octaoxooctadecanoyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:17317 -name: D-sorbose -is_a: CHEBI:27922 ! sorbose +id: CHEBI:133419 +name: 2-isobutyrylphloroglucinol +is_a: CHEBI:134316 ! 2-acylphloroglucinol [Term] -id: CHEBI:17321 -name: 5,6,7,8-tetrahydromethanopterin -is_a: CHEBI:26914 ! tetrahydromethanopterin +id: CHEBI:133424 +name: 13,14-dihydro-Delta(12)-prostaglandin J2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:17322 -name: chloric acid -is_a: CHEBI:33426 ! chlorine oxoacid +id: CHEBI:133427 +name: omega-ammonioaldehyde +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:17326 -name: nucleoside triphosphate -is_a: CHEBI:25608 ! nucleoside phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:133442 +name: (5R)-5-hydroxy-L-lysine(1+) residue +is_a: CHEBI:141817 ! 5-hydroxy-L-lysinium residue +is_a: CHEBI:58942 ! amino-acid cation residue [Term] -id: CHEBI:17327 -name: phytol -is_a: CHEBI:23849 ! diterpenoid -is_a: CHEBI:77396 ! long-chain primary fatty alcohol -relationship: has_role CHEBI:38941 ! schistosomicide drug -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133443 +name: (5R)-5-(beta-D-galactosyloxy)-L-lysine(1+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue [Term] -id: CHEBI:17333 -name: chorismic acid -is_a: CHEBI:36166 ! 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133444 +name: 1-O-acylceramide +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:17334 -name: penicillin -is_a: CHEBI:25865 ! penicillanic acids +id: CHEBI:133445 +name: saturated fatty acyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:17336 -name: all-trans-retinol -is_a: CHEBI:134394 ! primary allylic alcohol -is_a: CHEBI:50211 ! retinol -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133446 +name: monounsaturated fatty acyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:17345 -name: guanosine 5'-monophosphate -is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate -is_a: CHEBI:37121 ! guanosine 5'-phosphate -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:59163 ! biomarker -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133447 +name: methyl-branched fatty acyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:17347 -name: testosterone -is_a: CHEBI:131621 ! C19-steroid -is_a: CHEBI:35343 ! 17beta-hydroxy steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -is_a: CHEBI:50402 ! androstanoid -relationship: has_role CHEBI:50113 ! androgen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:133448 +name: oxo-fatty acyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:17348 -name: D-aldohexose 6-phosphate -is_a: CHEBI:2559 ! aldohexose 6-phosphate -is_a: CHEBI:4195 ! D-hexose 6-phosphate +id: CHEBI:133449 +name: hydroxy-fatty acyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:17351 -name: linoleic acid -is_a: CHEBI:25627 ! octadecadienoic acid -is_a: CHEBI:36009 ! omega-6 fatty acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133450 +name: (2E)-enoyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:17355 -name: (S)-2-acetamido-6-oxopimelic acid -is_a: CHEBI:36145 ! oxo dicarboxylic acid -is_a: CHEBI:51569 ! N-acyl-amino acid +id: CHEBI:133452 +name: (5R)-5-[(alpha-D-glucosyl-(1->2)-beta-D-galactosyl)oxy]-L-lysine(1+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue [Term] -id: CHEBI:17359 -name: sulfite -is_a: CHEBI:33482 ! sulfur oxoanion -is_a: CHEBI:48154 ! sulfur oxide -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:133455 +name: (2E)-dec-2-enal +is_a: CHEBI:61727 ! dec-2-enal +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:25491 ! nematicide +relationship: has_role CHEBI:72575 ! alarm pheromone [Term] -id: CHEBI:17361 -name: cytidine 5'-monophosphate -is_a: CHEBI:23521 ! cytidine 5'-phosphate -is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133457 +name: (3E)-3-nonen-2-one +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:39276 ! fumigant +relationship: has_role CHEBI:76797 ! EC 2.5.1.18 (glutathione transferase) inhibitor [Term] -id: CHEBI:17364 -name: D-aspartic acid -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:22660 ! aspartic acid +id: CHEBI:133470 +name: beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:133476 +name: hydantoin-5-propionate +is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:17368 -name: hypoxanthine -is_a: CHEBI:25810 ! oxopurine -is_a: CHEBI:26386 ! purine nucleobase -is_a: CHEBI:67142 ! nucleobase analogue -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:133479 +name: S-(long-chain fatty acyl)-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:17375 -name: (2S)-2-hydroxy monocarboxylic acid -is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +id: CHEBI:133490 +name: saturated fatty acyl-AMP(1-) +is_a: CHEBI:83622 ! fatty acyl-AMP(1-) [Term] -id: CHEBI:17376 -name: cystine -is_a: CHEBI:23509 ! cysteine derivative -is_a: CHEBI:26834 ! sulfur-containing amino acid -is_a: CHEBI:35489 ! organic disulfide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133491 +name: alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17378 -name: D-glyceraldehyde -is_a: CHEBI:5445 ! glyceraldehyde -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133492 +name: polyunsaturated dicarboxylic acid dianion +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17387 -name: O-acylcarnitine -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:35284 ! ammonium betaine +id: CHEBI:133493 +name: omega-(methylthio)-2-oxocarboxylate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:17393 -name: D-allose -is_a: CHEBI:17608 ! D-aldohexose -is_a: CHEBI:37690 ! allose +id: CHEBI:133494 +name: 2-(omega-methylthio)alkylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17399 -name: L-xylulose -is_a: CHEBI:27353 ! xylulose -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133496 +name: 3-(omega-methylthio)alkylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17401 -name: myo-inositol hexakisphosphate -is_a: CHEBI:25445 ! myo-inositol hexakisphosphates -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38157 ! iron chelator -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133497 +name: 3-(2-methylthioethyl)malate(2-) +is_a: CHEBI:133496 ! 3-(omega-methylthio)alkylmalate(2-) [Term] -id: CHEBI:17408 -name: monoglyceride -is_a: CHEBI:47778 ! glyceride +id: CHEBI:133498 +name: 2-(omega-methylthio)alkylmaleate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17418 -name: valeric acid -is_a: CHEBI:26666 ! short-chain fatty acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133499 +name: 2-(2-methylthio)ethylmaleate(2-) +is_a: CHEBI:133498 ! 2-(omega-methylthio)alkylmaleate(2-) [Term] -id: CHEBI:17428 -name: (R)-reticuline -is_a: CHEBI:26533 ! reticuline +id: CHEBI:133500 +name: 2-(2-methylthio)propylmaleate(2-) +is_a: CHEBI:133498 ! 2-(omega-methylthio)alkylmaleate(2-) [Term] -id: CHEBI:17429 -name: 3-ketosucrose -is_a: CHEBI:24407 ! glycosyl glycoside -is_a: CHEBI:24957 ! keto-disaccharide +id: CHEBI:133501 +name: 3-(3-methylthio)propylmalate(2-) +is_a: CHEBI:133496 ! 3-(omega-methylthio)alkylmalate(2-) [Term] -id: CHEBI:17431 -name: agmatine -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:50994 ! primary amino compound -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133506 +name: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:17437 -name: dimethyl sulfide -is_a: CHEBI:22327 ! aliphatic sulfide -relationship: has_role CHEBI:76507 ! marine metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite -relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133507 +name: beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:17445 -name: 3-hydroxyphenylacetic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:133509 +name: alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative [Term] -id: CHEBI:17447 -name: geraniol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:24221 ! 3,7-dimethylocta-2,6-dien-1-ol -is_a: CHEBI:25409 ! monoterpenoid -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:48318 ! fragrance -relationship: has_role CHEBI:50904 ! allergen -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133510 +name: alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative [Term] -id: CHEBI:17448 -name: methanofuran -is_a: CHEBI:24129 ! furans +id: CHEBI:133511 +name: 3-hydroxyoctanoate +is_a: CHEBI:133719 ! hydroxyoctanoate +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion [Term] -id: CHEBI:17453 -name: methylmalonate(2-) -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133513 +name: 3-methylglutaconate anion +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:17460 -name: lipoamide -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:39192 ! dithiolanes -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133514 +name: 2-hydroxyoctanoate +is_a: CHEBI:133719 ! hydroxyoctanoate +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion [Term] -id: CHEBI:17478 -name: aldehyde -is_a: CHEBI:36586 ! carbonyl compound -relationship: has_part CHEBI:42485 ! formyl group +id: CHEBI:133517 +name: 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid [Term] -id: CHEBI:17486 -name: (S)-atropine -is_a: CHEBI:78734 ! tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate +id: CHEBI:133518 +name: (E)-3-methylglutaconate anion +is_a: CHEBI:133513 ! 3-methylglutaconate anion [Term] -id: CHEBI:17489 -name: 3',5'-cyclic AMP -is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide -is_a: CHEBI:61296 ! adenyl ribonucleotide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133519 +name: 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:17497 -name: glycolic acid -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:50176 ! keratolytic drug +id: CHEBI:133520 +name: N-acetyl-L-alaninate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:17499 -name: hydrogen donor -is_a: CHEBI:15022 ! electron donor +id: CHEBI:133525 +name: N-acylphytosphingosine 1-phosphate(2-) +is_a: CHEBI:84404 ! ceramide 1-phosphate(2-) [Term] -id: CHEBI:17514 -name: cyanide -is_a: CHEBI:36828 ! pseudohalide anion -relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor +id: CHEBI:133526 +name: oxodocosahexaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:17517 -name: phosphatidylglycerol -is_a: CHEBI:24360 ! glycerophosphoglycerols -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133538 +name: L-lysine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:17522 -name: alditol -is_a: CHEBI:16646 ! carbohydrate -is_a: CHEBI:26191 ! polyol +id: CHEBI:133539 +name: hydroxyicosatrienoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:17530 -name: L-arogenic acid -is_a: CHEBI:21239 ! arogenic acid +id: CHEBI:133549 +name: N-acetyl-L-threoninate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:17535 -name: L-arabinopyranose -is_a: CHEBI:30849 ! L-arabinose -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133556 +name: oxooctadecadienoate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:17536 -name: allantoate +id: CHEBI:133557 +name: hydroperoxyoctadecenoate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion + +[Term] +id: CHEBI:133558 +name: hydroperoxyoctadecatrienoate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:133574 +name: 5-hydroxylysinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:133575 +name: N-acyl-gamma-aminobutyrate is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:47857 ! ureas -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:17540 -name: methyl beta-D-galactoside -is_a: CHEBI:25263 ! methyl D-galactoside -is_a: CHEBI:28034 ! beta-D-galactoside -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:133577 +name: 2-hydroxy-4-methylvalerate +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:17544 -name: hydrogencarbonate -is_a: CHEBI:35604 ! carbon oxoanion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133585 +name: epoxyoctadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:17548 -name: alginic acid -is_a: CHEBI:16966 ! heteroglycan -is_a: CHEBI:53310 ! copolymer macromolecule -is_a: CHEBI:72813 ! exopolysaccharide -relationship: has_role CHEBI:50248 ! hematologic agent +id: CHEBI:133586 +name: epoxyoctadecenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:17552 -name: GDP -is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate -is_a: CHEBI:37121 ! guanosine 5'-phosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133598 +name: chlortetracycline(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:17553 -name: O-phosphoethanolamine -is_a: CHEBI:36711 ! phosphoethanolamine -is_a: CHEBI:50994 ! primary amino compound -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:133603 +name: methanesulfinate +is_a: CHEBI:37785 ! organosulfinate oxoanion [Term] -id: CHEBI:17558 -name: quercitrin -is_a: CHEBI:27848 ! alpha-L-rhamnoside -is_a: CHEBI:38684 ! tetrahydroxyflavone -is_a: CHEBI:63367 ! monosaccharide derivative -is_a: CHEBI:76424 ! quercetin O-glycoside -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:48550 ! EC 1.1.1.21 (aldehyde reductase) inhibitor -relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor -relationship: has_role CHEBI:70868 ! antileishmanial agent -relationship: has_role CHEBI:73136 ! EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133606 +name: 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:65055 ! 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74240 ! phosphatidylinositol 38:4(1-) +is_a: CHEBI:75243 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) [Term] -id: CHEBI:17559 -name: 3alpha(S)-strictosidine -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:38481 ! alkaloid ester -is_a: CHEBI:38958 ! indole alkaloid +id: CHEBI:133618 +name: leukotriene F4(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion +is_a: CHEBI:60334 ! peptide anion +is_a: CHEBI:62942 ! leukotriene anion [Term] -id: CHEBI:17561 -name: L-cysteine -is_a: CHEBI:15356 ! cysteine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:26650 ! serine family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:64577 ! flour treatment agent -relationship: has_role CHEBI:77703 ! EC 4.3.1.3 (histidine ammonia-lyase) inhibitor -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133631 +name: 1-palmitoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64523 ! phosphatidylcholine 36:3 +is_a: CHEBI:77369 ! 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:17562 -name: cytidine -is_a: CHEBI:23524 ! cytidines -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133652 +name: hydroperoxy(epoxy)icosatrienoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:17563 -name: phthalate(2-) -is_a: CHEBI:26092 ! phthalate -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:133653 +name: hydroperoxy(hydroxy)icosapentaenoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:17568 -name: uracil -is_a: CHEBI:26432 ! pyrimidine nucleobase -is_a: CHEBI:38337 ! pyrimidone -relationship: has_role CHEBI:50266 ! prodrug +id: CHEBI:133654 +name: hydroxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion + +[Term] +id: CHEBI:133661 +name: hyocholate +is_a: CHEBI:36235 ! bile acid anion relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:17573 -name: glycyrrhetinate +id: CHEBI:133673 +name: glyphosate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:133674 +name: (aminomethyl)phosphonate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:133696 +name: desmethylanhydrotetracycline zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:133697 +name: 4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:133716 +name: N-acetyl-L-valinate is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:17578 -name: toluene -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:27024 ! toluenes -is_a: CHEBI:38975 ! methylbenzene -relationship: has_role CHEBI:48355 ! non-polar solvent -relationship: has_role CHEBI:48873 ! cholinergic antagonist -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:62803 ! fuel additive +id: CHEBI:133719 +name: hydroxyoctanoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:17579 -name: beta-carotene -is_a: CHEBI:139120 ! carotenoid beta-end group -is_a: CHEBI:35163 ! cyclic carotene -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:26130 ! biological pigment -relationship: has_role CHEBI:67200 ! provitamin A -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:133720 +name: glycochenodeoxycholic acid sulfate anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:133723 +name: naphthalene-1,2,4,8-tetrol +is_a: CHEBI:26925 ! naphthalenetetrol +is_a: CHEBI:51475 ! naphthohydroquinone + +[Term] +id: CHEBI:133738 +name: 2-hydroxyhexanoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:133741 +name: (E)-dodec-2-enal +is_a: CHEBI:17176 ! long-chain fatty aldehyde +is_a: CHEBI:84588 ! trans-2,3-unsaturated fatty aldehyde +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35443 ! anthelminthic drug relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:17588 -name: L-homocysteine -is_a: CHEBI:17230 ! homocysteine -is_a: CHEBI:26650 ! serine family amino acid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:133748 +name: citrate anion +is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] -id: CHEBI:17590 -name: octane -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:133752 +name: epsilon-(gamma-glutamyl)lysine dizwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:175901 -name: gemcitabine -is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside -is_a: CHEBI:37143 ! organofluorine compound -relationship: has_role CHEBI:132992 ! radiosensitizing agent -relationship: has_role CHEBI:35221 ! antimetabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:36044 ! antiviral drug -relationship: has_role CHEBI:47868 ! photosensitizing agent -relationship: has_role CHEBI:50266 ! prodrug -relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor -relationship: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:133768 +name: (R)-PGA2-S-glutathione conjugate(2-) +is_a: CHEBI:62943 ! prostanoid anion [Term] -id: CHEBI:17593 -name: maltooligosaccharide -is_a: CHEBI:24268 ! glucooligosaccharide +id: CHEBI:133769 +name: (S)-PGA2-S-glutathione conjugate(2-) +is_a: CHEBI:62943 ! prostanoid anion [Term] -id: CHEBI:17594 -name: hydroquinone -is_a: CHEBI:17701 ! benzenediol -is_a: CHEBI:24646 ! hydroquinones -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:85046 ! skin lightening agent +id: CHEBI:133771 +name: (R)-PGJ2-S-glutathione conjugate(2-) +is_a: CHEBI:62943 ! prostanoid anion [Term] -id: CHEBI:17596 -name: inosine -is_a: CHEBI:24844 ! inosines -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133772 +name: (S)-PGJ2-S-glutathione conjugate(2-) +is_a: CHEBI:62943 ! prostanoid anion [Term] -id: CHEBI:17600 -name: hexadecanal -is_a: CHEBI:17176 ! long-chain fatty aldehyde -is_a: CHEBI:84587 ! 2,3-saturated fatty aldehyde -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133773 +name: pimelate +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:17602 -name: 4-aminophenol -is_a: CHEBI:28829 ! aminophenol -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:133775 +name: dimethylargininium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:17608 -name: D-aldohexose -is_a: CHEBI:33917 ! aldohexose -is_a: CHEBI:4194 ! D-hexose +id: CHEBI:133778 +name: 1alpha-hydroxyandrost-4-ene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +is_a: CHEBI:71017 ! 1-hydroxy steroid [Term] -id: CHEBI:17620 -name: ferulic acid -is_a: CHEBI:24031 ! ferulic acids -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:64345 ! MALDI matrix material -relationship: has_role CHEBI:67079 ! anti-inflammatory agent -relationship: has_role CHEBI:68494 ! apoptosis inhibitor +id: CHEBI:133790 +name: linolenate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:133791 +name: 2-hydroxybutyrates +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:133792 +name: erythronate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77307 ! cardioprotective agent +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:17621 -name: FMN -is_a: CHEBI:24041 ! flavin mononucleotide -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:133793 +name: prostaglandin G1 +is_a: CHEBI:26343 ! prostaglandins G +is_a: CHEBI:35924 ! peroxol +is_a: CHEBI:78840 ! olefinic compound relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:17622 -name: dUMP -is_a: CHEBI:23641 ! deoxyuridine phosphate -is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133795 +name: (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion [Term] -id: CHEBI:17623 -name: cyclomaltodextrin -is_a: CHEBI:23448 ! cyclic oligosaccharide -is_a: CHEBI:25140 ! maltodextrin +id: CHEBI:133796 +name: (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion [Term] -id: CHEBI:17625 -name: dUTP -is_a: CHEBI:23641 ! deoxyuridine phosphate -is_a: CHEBI:37043 ! pyrimidine 2'-deoxyribonucleoside 5'-triphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133797 +name: (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion [Term] -id: CHEBI:17630 -name: kanamycin A -is_a: CHEBI:24951 ! kanamycins -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:133798 +name: (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion [Term] -id: CHEBI:17632 -name: nitrate -is_a: CHEBI:33458 ! nitrogen oxoanion -is_a: CHEBI:62764 ! reactive nitrogen species -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:133799 +name: (4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion [Term] -id: CHEBI:17633 -name: guanosine 3',5'-bis(diphosphate) -is_a: CHEBI:37124 ! guanosine bisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133812 +name: 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:17634 -name: D-glucose -is_a: CHEBI:17234 ! glucose -is_a: CHEBI:17608 ! D-aldohexose +id: CHEBI:133819 +name: 13-HODE(1-) +is_a: CHEBI:131861 ! HODE(1-) [Term] -id: CHEBI:17636 -name: sphingomyelin d18:1 -is_a: CHEBI:64583 ! sphingomyelin +id: CHEBI:133820 +name: 9-HODE(1-) +is_a: CHEBI:131861 ! HODE(1-) [Term] -id: CHEBI:17642 -name: pentachlorophenol -is_a: CHEBI:23150 ! chlorophenol -is_a: CHEBI:38656 ! organochlorine pesticide -is_a: CHEBI:83390 ! pentachlorobenzenes -is_a: CHEBI:87034 ! aromatic fungicide -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:133860 +name: polyunsaturated hydroxylipid +is_a: CHEBI:131727 ! hydroxylipid [Term] -id: CHEBI:17650 -name: cortisol -is_a: CHEBI:138141 ! 17alpha-hydroxy-C21-steroid -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:24261 ! glucocorticoid -is_a: CHEBI:35344 ! 21-hydroxy steroid -is_a: CHEBI:35346 ! 11beta-hydroxy steroid -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -relationship: has_role CHEBI:35472 ! anti-inflammatory drug -relationship: has_role CHEBI:49167 ! anti-asthmatic drug -relationship: has_role CHEBI:50857 ! anti-allergic agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133867 +name: 4-O-[di(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(4-) +is_a: CHEBI:132876 ! beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:15696 ! beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17654 -name: electron acceptor -is_a: CHEBI:15339 ! acceptor +id: CHEBI:133872 +name: (2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid +is_a: CHEBI:33823 ! enol +is_a: CHEBI:36145 ! oxo dicarboxylic acid [Term] -id: CHEBI:17656 -name: (R)-mandelic acid -is_a: CHEBI:35825 ! mandelic acid -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:133886 +name: FMNH2(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17659 -name: UDP -is_a: CHEBI:27232 ! uridine 5'-phosphate -is_a: CHEBI:37039 ! pyrimidine ribonucleoside 5'-diphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:13389 +name: NAD +is_a: CHEBI:25524 ! NAD(P) +relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] -id: CHEBI:17660 -name: N(6)-dimethylallyladenine -is_a: CHEBI:38643 ! 6-isopentenylaminopurine -relationship: has_role CHEBI:23530 ! cytokinin +id: CHEBI:133892 +name: 4-O-[1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17661 -name: GDP-6-deoxy-alpha-D-mannose -is_a: CHEBI:21169 ! GDP-sugar +id: CHEBI:133894 +name: 4-O-[poly(1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer [Term] -id: CHEBI:17668 -name: ribonucleoside diphosphate -is_a: CHEBI:16862 ! nucleoside diphosphate +id: CHEBI:133896 +name: 4-O-(\{poly[1-D-ribitylphosphonato]}-di\{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer [Term] -id: CHEBI:17672 -name: carbamoyl phosphate -is_a: CHEBI:16826 ! acyl monophosphate -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133897 +name: methanesulfinic acid +is_a: CHEBI:37783 ! organosulfinic acid [Term] -id: CHEBI:17677 -name: CTP -is_a: CHEBI:23521 ! cytidine 5'-phosphate -is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133898 +name: chromopyrrolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:17688 -name: (S)-nicotine -is_a: CHEBI:138000 ! 3-(1-methylpyrrolidin-2-yl)pyridine -relationship: has_role CHEBI:22917 ! phytogenic insecticide -relationship: has_role CHEBI:35471 ! psychotropic drug -relationship: has_role CHEBI:35474 ! anxiolytic drug -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist -relationship: has_role CHEBI:49110 ! peripheral nervous system drug -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:52290 ! mitogen -relationship: has_role CHEBI:59163 ! biomarker -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:133899 +name: 8(S),15(S)-DiHPETE(1-) +is_a: CHEBI:137544 ! bis(hydroperoxy)icosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:17689 -name: sphingosine-1-phosphocholine -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:35786 ! phosphosphingolipid -is_a: CHEBI:36700 ! phosphocholines +id: CHEBI:13390 +name: NAD(P)(+) +is_a: CHEBI:25524 ! NAD(P) [Term] -id: CHEBI:17694 -name: dihydrolipoamide -is_a: CHEBI:23853 ! dithiol -is_a: CHEBI:29347 ! monocarboxylic acid amide -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:133900 +name: 14(R),15(S)-DiHPETE(1-) +is_a: CHEBI:137544 ! bis(hydroperoxy)icosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:17696 -name: isocyanuric acid -is_a: CHEBI:38779 ! 1,3,5-triazinanes -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:133901 +name: 3-aminobutyryl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:17698 -name: chloramphenicol -is_a: CHEBI:23824 ! diol -is_a: CHEBI:35716 ! C-nitro compound -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:37622 ! carboxamide -relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:133902 +name: dUMP residue(1-) +is_a: CHEBI:140284 ! deoxyribonucleotide residue(1-) + +[Term] +id: CHEBI:133903 +name: 8(S),15(S)-DiHETE(1-) +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133910 +name: 2-trans-abscisic acid D-glucosyl ester +is_a: CHEBI:24278 ! glucoside +is_a: CHEBI:51702 ! enoate ester +is_a: CHEBI:52782 ! O-acyl carbohydrate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:133911 +name: alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61898 ! alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:133912 +name: alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61900 ! alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:133917 +name: ochratoxin alpha +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:38758 ! isocoumarins +is_a: CHEBI:38762 ! isochromanes +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:13392 +name: NAD(P)H +is_a: CHEBI:25524 ! NAD(P) + +[Term] +id: CHEBI:133927 +name: glycolaldehyde phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:133928 +name: 2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate +is_a: CHEBI:27369 ! zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:133929 +name: 3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:133930 +name: 5alpha-androst-1-ene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:133931 +name: (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133932 +name: (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133933 +name: (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133934 +name: (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133935 +name: (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133936 +name: (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133937 +name: (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133938 +name: (7Z,13Z,16Z,19Z)-10,11-epoxydocosatetraenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133939 +name: (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoate +is_a: CHEBI:133654 ! hydroxydocosapentaenoate + +[Term] +id: CHEBI:133940 +name: lithocholate sulfate(2-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:133941 +name: (3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:37205 ! pentol +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:133948 +name: (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133949 +name: (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133950 +name: (7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:133959 +name: 4'-methoxyisoflavones +is_a: CHEBI:38756 ! methoxyisoflavone + +[Term] +id: CHEBI:133968 +name: 5'-(N(7)-methyl 5'-triphosphoguanosine)-(purine-ribonucleotide)(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:133969 +name: 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:133970 +name: N-retinylidene-N-retinylphosphatidylethanolamine betaine +is_a: CHEBI:35285 ! iminium betaine + +[Term] +id: CHEBI:133972 +name: primary nitroalkane +is_a: CHEBI:7587 ! nitroalkane + +[Term] +id: CHEBI:133974 +name: 12-oxo-6-trans-leukotriene B4(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:62942 ! leukotriene anion + +[Term] +id: CHEBI:133975 +name: Delta(6)-trans-12-epi-leukotriene B4(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62942 ! leukotriene anion + +[Term] +id: CHEBI:133977 +name: S-(2,4-dinitrophenyl)glutathione(1-) +is_a: CHEBI:90779 ! S-substitued glutathione(1-) + +[Term] +id: CHEBI:133979 +name: prostaglandin D2 2-glyceryl ester +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:26337 ! prostaglandins D +is_a: CHEBI:36132 ! alicyclic ketone +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:133980 +name: oxidised coenzyme F420-(gamma-Glu)n polyanion +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:61469 ! polyanionic polymer +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:133985 +name: 13(R)-HPODE(1-) +is_a: CHEBI:90823 ! 13-HPODE(1-) + +[Term] +id: CHEBI:133986 +name: (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid +is_a: CHEBI:134615 ! hydroperoxyoctadecatrienoic acid + +[Term] +id: CHEBI:133987 +name: (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoate +is_a: CHEBI:133558 ! hydroperoxyoctadecatrienoate + +[Term] +id: CHEBI:133988 +name: (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid +is_a: CHEBI:134615 ! hydroperoxyoctadecatrienoic acid + +[Term] +id: CHEBI:133989 +name: (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoate +is_a: CHEBI:133558 ! hydroperoxyoctadecatrienoate + +[Term] +id: CHEBI:133990 +name: (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:133991 +name: (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:133992 +name: N-oleoylglycinate +is_a: CHEBI:57670 ! N-acylglycinate + +[Term] +id: CHEBI:133993 +name: 4'-O-methylnorbelladine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:133994 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61901 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:133995 +name: (4aS,10bR)-noroxomaritidine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:133996 +name: (4aR,10bS)-noroxomaritidine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:133998 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61906 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:133999 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61915 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:134000 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61919 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:134001 +name: norbelladine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:134002 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61921 ! alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:134003 +name: alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61925 ! alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:134004 +name: alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61927 ! alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:134005 +name: alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) +is_a: CHEBI:61932 ! alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) + +[Term] +id: CHEBI:134017 +name: 11a-hydroxytetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:134018 +name: N-acyl-gamma-aminobutyric acid +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:134019 +name: hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:134020 +name: N-oleoyl-L-phenylalaninate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134021 +name: N-oleoyl-L-phenylalanine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:77673 ! N-acyl-L-phenylalanine + +[Term] +id: CHEBI:134022 +name: N-arachidonoyl-L-phenylalaninate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134027 +name: 1,2-bis(octadec-9-enoyl)phosphatidic acid +is_a: CHEBI:134237 ! phosphatidic acid 36:2 +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:134031 +name: N-oleoyl-L-serinate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134033 +name: N-oleoyl-L-glutaminate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134035 +name: N-oleoyl-L-leucinate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134041 +name: N-octadecanoylglycinate +is_a: CHEBI:57670 ! N-acylglycinate + +[Term] +id: CHEBI:134042 +name: N-[(9Z)-hexadecenoyl]glycinate +is_a: CHEBI:57670 ! N-acylglycinate + +[Term] +id: CHEBI:134045 +name: polychlorinated dibenzodioxines and related compounds +is_a: CHEBI:36684 ! organohalogen compound +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:134051 +name: (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoate +is_a: CHEBI:131875 ! hydroperoxyicosatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:134052 +name: (8Z,11Z,14Z)-10-hydroperoxyicosatrienoate +is_a: CHEBI:131875 ! hydroperoxyicosatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:134053 +name: (8Z,12E,14Z)-11-hydroperoxyicosatrienoate +is_a: CHEBI:131875 ! hydroperoxyicosatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:134054 +name: (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoate +is_a: CHEBI:131873 ! EpETE(1-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:62937 ! icosanoid anion + +[Term] +id: CHEBI:134055 +name: (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:134056 +name: (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate +is_a: CHEBI:131876 ! hydroperoxyicosapentaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:134057 +name: (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:134058 +name: N-palmitoyl dopamine +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:134059 +name: N-palmitoylserotonin +is_a: CHEBI:134175 ! N-acylserotonin + +[Term] +id: CHEBI:134064 +name: N-oleoylserotonin +is_a: CHEBI:134175 ! N-acylserotonin + +[Term] +id: CHEBI:134065 +name: N-stearoylserotonin +is_a: CHEBI:134175 ! N-acylserotonin + +[Term] +id: CHEBI:134068 +name: (1->4)-6-phospho-alpha-D-glucan polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:134072 +name: N-hexadecanoyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) + +[Term] +id: CHEBI:134079 +name: (5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate +is_a: CHEBI:134056 ! (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate + +[Term] +id: CHEBI:134085 +name: 3-hydroxyanthocyanidin cation +is_a: CHEBI:16366 ! anthocyanidin cation + +[Term] +id: CHEBI:134086 +name: (2R,3R)-flavan-3-ol +is_a: CHEBI:72010 ! hydroxyflavan + +[Term] +id: CHEBI:134087 +name: 3-hydroxyanthocyanidin betaine +is_a: CHEBI:47916 ! flavonoid +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:134088 +name: (2S,3R)-flavan-3-ol +is_a: CHEBI:72010 ! hydroxyflavan + +[Term] +id: CHEBI:134089 +name: (2S,3S)-flavan-3-ol +is_a: CHEBI:72010 ! hydroxyflavan + +[Term] +id: CHEBI:134090 +name: N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:134093 +name: (acetamidomethyl)phosphonate(1-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:134098 +name: (S)-(1-aminoethyl)phosphonate +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:134099 +name: [(S)-1-acetamidoethyl]phosphonate(1-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:134102 +name: (R)-2-amino-4-oxopentanoic acid zwitterion +is_a: CHEBI:57563 ! 2-amino-4-oxopentanoic acid zwitterion + +[Term] +id: CHEBI:134103 +name: N-arachidonoyl-L-leucinate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134110 +name: (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate +is_a: CHEBI:133558 ! hydroperoxyoctadecatrienoate + +[Term] +id: CHEBI:134116 +name: alpha-muricholate +is_a: CHEBI:36235 ! bile acid anion + +[Term] +id: CHEBI:134119 +name: beta-muricholate +is_a: CHEBI:36235 ! bile acid anion + +[Term] +id: CHEBI:134121 +name: N-oleoyl-L-isoleucinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134122 +name: N-oleoyl-L-glutamate(2-) +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:134125 +name: (R)-NADHX +is_a: CHEBI:26916 ! tetrahydronicotinamide adenine dinucleotide +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:134127 +name: 1-acylglycerol 16:0 +is_a: CHEBI:35759 ! 1-monoglyceride + +[Term] +id: CHEBI:134129 +name: 1-acylglycerol 18:0 +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:87255 ! monoacylglycerol 18:0 + +[Term] +id: CHEBI:134130 +name: 1-acylglycerol 18:1 +is_a: CHEBI:35759 ! 1-monoglyceride + +[Term] +id: CHEBI:134131 +name: 1-acylglycerol 18:2 +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:87257 ! monoacylglycerol 18:2 + +[Term] +id: CHEBI:134133 +name: 1-acylglycerol 20:4 +is_a: CHEBI:35759 ! 1-monoglyceride + +[Term] +id: CHEBI:134138 +name: 2-acylglycerol 16:0 +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:87251 ! monoacylglycerol 16:0 + +[Term] +id: CHEBI:134140 +name: 2-acylglycerol 18:0 +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:87255 ! monoacylglycerol 18:0 + +[Term] +id: CHEBI:134141 +name: 2-acylglycerol 18:1 +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:87256 ! monoacylglycerol 18:1 + +[Term] +id: CHEBI:134142 +name: 2-acylglycerol 18:2 +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:87257 ! monoacylglycerol 18:2 + +[Term] +id: CHEBI:134144 +name: 2-acylglycerol 20:4 +is_a: CHEBI:17389 ! 2-monoglyceride + +[Term] +id: CHEBI:134150 +name: N-acylglycine 16:1 +is_a: CHEBI:16180 ! N-acylglycine + +[Term] +id: CHEBI:134151 +name: N-acylglycine 18:0 +is_a: CHEBI:16180 ! N-acylglycine + +[Term] +id: CHEBI:134152 +name: N-acylglycine 18:1 +is_a: CHEBI:16180 ! N-acylglycine + +[Term] +id: CHEBI:134156 +name: N-acylethanolamine 16:1 +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:134157 +name: N-acylethanolamine 18:0 +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:134158 +name: N-acylethanolamine 18:1 +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:134159 +name: N-acylethanolamine 18:2 +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:134161 +name: N-acylethanolamine 20:4 +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:134162 +name: N-acylethanolamine 20:5 +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:134165 +name: N-acylethanolamine 22:6 +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:134175 +name: N-acylserotonin +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:84729 ! hydroxyindoles + +[Term] +id: CHEBI:134176 +name: 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion + +[Term] +id: CHEBI:134178 +name: all-trans-4-hydroxyretinoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:134179 +name: volatile organic compound +is_a: CHEBI:72695 ! organic molecule + +[Term] +id: CHEBI:134185 +name: (S)-all-trans-4-hydroxyretinoate +is_a: CHEBI:134178 ! all-trans-4-hydroxyretinoate + +[Term] +id: CHEBI:134186 +name: all-trans-4-oxoretinoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:134197 +name: 3',5'-cyclic IMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:134198 +name: (R)-tembetarine +is_a: CHEBI:136682 ! tembetarine + +[Term] +id: CHEBI:134199 +name: (S)-tembetarine +is_a: CHEBI:136682 ! tembetarine +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:134205 +name: 2-methyl-D-serine +is_a: CHEBI:134206 ! 2-methylserine + +[Term] +id: CHEBI:134206 +name: 2-methylserine +is_a: CHEBI:24662 ! hydroxy-amino acid + +[Term] +id: CHEBI:134207 +name: methylcytosine +is_a: CHEBI:38338 ! aminopyrimidine + +[Term] +id: CHEBI:134208 +name: N-acetyl-alpha-D-glucosaminyl-L-tyrosyl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:134209 +name: aporphine alkaloid +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid + +[Term] +id: CHEBI:134210 +name: (R)-laudanosine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:134211 +name: (R)-tetrahydropapaverine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:134212 +name: (S)-glaucine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:134213 +name: (S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+) +is_a: CHEBI:134209 ! aporphine alkaloid +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:134214 +name: L-xylo-3-hexulose +is_a: CHEBI:24973 ! ketohexose + +[Term] +id: CHEBI:134215 +name: bulbocapnine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:134216 +name: muricholic acids +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:27114 ! trihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36844 ! 7-hydroxy steroid +is_a: CHEBI:36849 ! 6-hydroxy steroid + +[Term] +id: CHEBI:134217 +name: N-methylbulbocapnine(1+) +is_a: CHEBI:134209 ! aporphine alkaloid +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:134219 +name: decenals +is_a: CHEBI:61870 ! monounsaturated fatty aldehyde +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:134225 +name: 1,4-benzosemiquinones +is_a: CHEBI:22730 ! benzosemiquinones + +[Term] +id: CHEBI:134233 +name: (4S)-4,16-dihydroxyretinoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:134237 +name: phosphatidic acid 36:2 +is_a: CHEBI:16337 ! phosphatidic acid + +[Term] +id: CHEBI:134246 +name: (R)-2-hydroxyglutaryl-CoA +is_a: CHEBI:28578 ! 2-hydroxyglutaryl-CoA +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:134247 +name: (11R)-11-hydroperoxylinoleic acid +is_a: CHEBI:78013 ! linoleic acid hydroperoxide + +[Term] +id: CHEBI:134248 +name: (11R)-11-hydroperoxylinoleate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion + +[Term] +id: CHEBI:134249 +name: alkanesulfonate oxoanion +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:134251 +name: guaiacols +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:134256 +name: lipid A (E. coli) +is_a: CHEBI:47040 ! lipid A +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:134257 +name: lipid A(4-) (E. coli) +is_a: CHEBI:58712 ! lipid A(4-) + +[Term] +id: CHEBI:134258 +name: beta-L-Ara4N-lipid A (E. coli) +is_a: CHEBI:47763 ! beta-L-Ara4N-lipid A +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:134259 +name: beta-L-Ara4N-lipid A(2-) (E. coli) +is_a: CHEBI:58714 ! beta-L-Ara4N-lipid A(2-) + +[Term] +id: CHEBI:134268 +name: (S)-mandelamide +is_a: CHEBI:136824 ! mandelamide + +[Term] +id: CHEBI:134269 +name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one +is_a: CHEBI:23697 ! dichlorobenzene +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:64672 ! differentiation-inducing factor +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:75763 ! eukaryotic metabolite + +[Term] +id: CHEBI:134275 +name: keto-L-tagatose +is_a: CHEBI:37462 ! L-tagatose +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:134278 +name: S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion +is_a: CHEBI:35282 ! sulfonium betaine +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:134283 +name: keto-D-tagatose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:134284 +name: keto-L-tagatose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:134286 +name: O-succinyl-L-serine +is_a: CHEBI:138979 ! hemisuccinate +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:84135 ! L-serine derivative +relationship: has_role CHEBI:137566 ! EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor + +[Term] +id: CHEBI:134289 +name: xanthohumol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134298 +name: phosphatidylcholine 12:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:134299 +name: phosphatidylcholine 13:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:134302 +name: desmethylxanthohumol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134308 +name: xanthogalenol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134309 +name: 4'-O-methylxanthohumol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134311 +name: D-altritol +is_a: CHEBI:24583 ! hexitol +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:134316 +name: 2-acylphloroglucinol +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:134326 +name: 2-(2-methylbutanoyl)phloroglucinol +is_a: CHEBI:134316 ! 2-acylphloroglucinol + +[Term] +id: CHEBI:134339 +name: 2-acyl-4-prenylphloroglucinol +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:76224 ! aromatic ketone +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:134340 +name: 2-(2-methylbutanoyl)-4-prenylphloroglucinol +is_a: CHEBI:134339 ! 2-acyl-4-prenylphloroglucinol + +[Term] +id: CHEBI:134341 +name: 2-(3-methylbutanoyl)-4-prenylphloroglucinol +is_a: CHEBI:134339 ! 2-acyl-4-prenylphloroglucinol +is_a: CHEBI:22707 ! benzenetriol + +[Term] +id: CHEBI:134342 +name: 2-isobutyryl-4-prenylphloroglucinol +is_a: CHEBI:134339 ! 2-acyl-4-prenylphloroglucinol +is_a: CHEBI:22707 ! benzenetriol + +[Term] +id: CHEBI:134343 +name: lupulone(1-) +is_a: CHEBI:134348 ! beta-bitter acid(1-) + +[Term] +id: CHEBI:134344 +name: ergothioneine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:134345 +name: deoxyhumulone +is_a: CHEBI:136850 ! 2-acyl-4,6-diprenylphloroglucinol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:134346 +name: 2-acyl-4,6-diprenylphloroglucinol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134347 +name: glandicoline B +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:33823 ! enol +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:134348 +name: beta-bitter acid(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:134349 +name: colupulone(1-) +is_a: CHEBI:134348 ! beta-bitter acid(1-) + +[Term] +id: CHEBI:134350 +name: lipid A 4'-(2-aminoethyl diphosphate) oxoanion +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:134351 +name: lipid A 1-(2-aminoethyl diphosphate) oxoanion +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:134352 +name: adlupulone(1-) +is_a: CHEBI:134348 ! beta-bitter acid(1-) + +[Term] +id: CHEBI:134353 +name: deoxycohumulone +is_a: CHEBI:136850 ! 2-acyl-4,6-diprenylphloroglucinol +relationship: has_role CHEBI:24852 ! insecticide +relationship: has_role CHEBI:33286 ! agrochemical + +[Term] +id: CHEBI:134354 +name: deoxyadlupulone +is_a: CHEBI:136850 ! 2-acyl-4,6-diprenylphloroglucinol + +[Term] +id: CHEBI:134356 +name: 8-methylmenaquinone-6 +is_a: CHEBI:142110 ! 8-methylmenaquinone +is_a: CHEBI:25185 ! menaquinones +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:134357 +name: 8-methylmenaquinol-6 +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:51475 ! naphthohydroquinone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:134358 +name: 8-geranylumbelliferone +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:134359 +name: 8-geranylesculetin +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:37912 ! hydroxycoumarin + +[Term] +id: CHEBI:134361 +name: allylic alcohol +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:134362 +name: homoallylic alcohol +is_a: CHEBI:2571 ! aliphatic alcohol +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:134363 +name: tertiary amine oxide +is_a: CHEBI:35580 ! N-oxide + +[Term] +id: CHEBI:134364 +name: 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:134366 +name: 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:134367 +name: 2-bromocarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:37141 ! organobromine compound + +[Term] +id: CHEBI:134368 +name: 5a,11a-dehydrooxytetracycline +is_a: CHEBI:26895 ! tetracyclines +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:134371 +name: 2-acyl-4-prenylphloroglucinol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134386 +name: 2-acylphloroglucinol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134389 +name: beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:134390 +name: beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp(1-) +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:134391 +name: 3,4,6-trichlorocatechol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:134394 +name: primary allylic alcohol +is_a: CHEBI:134361 ! allylic alcohol +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:134396 +name: secondary allylic alcohol +is_a: CHEBI:134361 ! allylic alcohol +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:134397 +name: tertiary allylic alcohol +is_a: CHEBI:134361 ! allylic alcohol +is_a: CHEBI:26878 ! tertiary alcohol + +[Term] +id: CHEBI:134398 +name: D-proline betaine +is_a: CHEBI:22860 ! amino-acid betaine + +[Term] +id: CHEBI:134399 +name: ADP-5-ethyl-4-methylthiazole-2-carboxylic acid +is_a: CHEBI:48652 ! 1,3-thiazolemonocarboxylic acid + +[Term] +id: CHEBI:134400 +name: cationic peptidyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:134405 +name: S-anthraniloyl-L-cysteine +is_a: CHEBI:51277 ! thioester +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:134406 +name: prostaglandin G3 +is_a: CHEBI:26343 ! prostaglandins G +is_a: CHEBI:35924 ! peroxol +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:134407 +name: prostaglandin H3 +is_a: CHEBI:26344 ! prostaglandins H +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:134408 +name: N-acetylcadaverine(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:134409 +name: N(alpha)-acetyl-L-methionyl-L-asparagine +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134412 +name: 10-formyltetrahydrofolyl-(Glu)n +is_a: CHEBI:26908 ! tetrahydrofolyl glutamate + +[Term] +id: CHEBI:134413 +name: 10-formyltetrahydrofolyl-(Glu)n polyanion +is_a: CHEBI:53368 ! ionic macromolecule + +[Term] +id: CHEBI:134414 +name: 2-hydroxyhexacosanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:134416 +name: 3-oxo fatty acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:134417 +name: 10,11-dihydro-12-oxoleukotriene B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59644 ! oxo fatty acid +is_a: CHEBI:61703 ! nonclassic icosanoid + +[Term] +id: CHEBI:134453 +name: 10-HETE +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:134456 +name: 12-oxo-20-hydroxyleukotriene B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:134464 +name: [(2->6)-beta-D-fructofuranosyl-]n alpha-D-glucopyranoside +is_a: CHEBI:71296 ! fructan derivative + +[Term] +id: CHEBI:134467 +name: L-vinylglycine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:134471 +name: N-acetyl-L-methionyl-L-glutamine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134472 +name: N-acyl-alpha-aminoacyl group +is_a: CHEBI:27207 ! univalent carboacyl group + +[Term] +id: CHEBI:134477 +name: N-acetyl-L-methionyl-L-leucine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134478 +name: N-acetyl-L-methionyl-L-isoleucine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134481 +name: N-acetyl-L-methionyl-L-phenylalanine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134482 +name: N-acetyl-L-methionyl-L-tyrosine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134484 +name: N-acetyl-L-methionyl-L-tryptophan +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134489 +name: N-acetyl-L-methionyl-L-alanine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134491 +name: N-acetyl-L-methionyl-L-serine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134492 +name: N-acetyl-L-methionyl-L-valine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134495 +name: N-acetyl-L-methionyl-L-threonine +is_a: CHEBI:27856 ! acetamide +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:134499 +name: 13,14-dihydro-15-oxoprostaglandin E1 +is_a: CHEBI:26338 ! prostaglandins E +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:134509 +name: 13,14-dihydro-15-keto-PGF1alpha +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:23824 ! diol +is_a: CHEBI:36066 ! prostaglandins Falpha + +[Term] +id: CHEBI:134526 +name: S-(long-chain fatty acyl)-L-cysteine +is_a: CHEBI:51277 ! thioester +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:134527 +name: alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:134529 +name: omega-(methylthio)-2-oxocarboxylic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:134530 +name: 2-(omega-methylthio)alkylmalic acid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:134531 +name: polyunsaturated dicarboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:134532 +name: 3-(omega-methylthio)alkylmalic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:134534 +name: 2-(omega-methylthio)alkylmaleic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:78840 ! olefinic compound +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:134535 +name: 2-(2-methylthio)ethylmaleic acid +is_a: CHEBI:134534 ! 2-(omega-methylthio)alkylmaleic acid + +[Term] +id: CHEBI:134536 +name: 2-(2-methylthiopropyl)maleic acid +is_a: CHEBI:134534 ! 2-(omega-methylthio)alkylmaleic acid + +[Term] +id: CHEBI:134537 +name: 3-(3-methylthio)propylmalic acid +is_a: CHEBI:134532 ! 3-(omega-methylthio)alkylmalic acid + +[Term] +id: CHEBI:134540 +name: N-acylphytosphingosine 1-phosphate +is_a: CHEBI:13956 ! ceramide 1-phosphate + +[Term] +id: CHEBI:134542 +name: oxodocosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:134567 +name: diacylglycerol (18:1/0:0/18:1) +is_a: CHEBI:47777 ! 1,3-diglyceride +is_a: CHEBI:85701 ! diacylglycerol 36:2 +relationship: has_role CHEBI:137684 ! Papio hamadryas metabolite + +[Term] +id: CHEBI:134582 +name: (4S)-4,16-dihydroxyretinoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26537 ! retinoid + +[Term] +id: CHEBI:134607 +name: beta-dihydromenaquinone-9 +is_a: CHEBI:25185 ! menaquinones +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:134610 +name: N-[(2S)-2-amino-2-carboxyethyl]-L-glutamate(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:134613 +name: hydroperoxyoctadecenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:134615 +name: hydroperoxyoctadecatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:134616 +name: 2-(glutathion-S-yl)-1,4-hydroquinone(1-) +is_a: CHEBI:90779 ! S-substitued glutathione(1-) + +[Term] +id: CHEBI:134617 +name: epoxystearic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid + +[Term] +id: CHEBI:134621 +name: N-[omega-(linoleoyloxy)]acyl-beta-D-glucosyl-(1<->1)-sphingosine +is_a: CHEBI:83264 ! beta-D-glucosylceramide + +[Term] +id: CHEBI:134624 +name: N-[omega-(9R)-hydroperoxy-(10E,12Z)-octadecadienoyloxy]acyl-beta-D-glucosyl-(1<->1)-sphingosine +is_a: CHEBI:83264 ! beta-D-glucosylceramide + +[Term] +id: CHEBI:134626 +name: N-[omega-(9R,10R)-epoxy-(13R)-hydroxy-(11E)-octadecenoyloxy]acyl-beta-D-glucosyl-(1<->1)-sphingosine +is_a: CHEBI:83264 ! beta-D-glucosylceramide + +[Term] +id: CHEBI:134628 +name: (1E,2S)-2-methylbutanal oxime +is_a: CHEBI:61135 ! (E)-2-methylbutanal oxime + +[Term] +id: CHEBI:134629 +name: (1Z,2S)-2-methylbutanal oxime +is_a: CHEBI:61136 ! (Z)-2-methylbutanal oxime + +[Term] +id: CHEBI:134630 +name: (2S)-2-methylbutanenitrile +is_a: CHEBI:61669 ! 2-methylbutanenitrile + +[Term] +id: CHEBI:134631 +name: L-polyhomomethionine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +is_a: CHEBI:63470 ! sulfur-containing amino-acid anion + +[Term] +id: CHEBI:134632 +name: L-dihomomethionine zwitterion +is_a: CHEBI:134631 ! L-polyhomomethionine zwitterion +is_a: CHEBI:58832 ! dihomomethionine zwitterion + +[Term] +id: CHEBI:134633 +name: L-trihomomethionine zwitterion +is_a: CHEBI:134631 ! L-polyhomomethionine zwitterion +is_a: CHEBI:58833 ! trihomomethionine zwitterion + +[Term] +id: CHEBI:134634 +name: L-tetrahomomethionine zwitterion +is_a: CHEBI:134631 ! L-polyhomomethionine zwitterion +is_a: CHEBI:58834 ! tetrahomomethionine zwitterion + +[Term] +id: CHEBI:134635 +name: L-pentahomomethionine zwitterion +is_a: CHEBI:134631 ! L-polyhomomethionine zwitterion +is_a: CHEBI:58835 ! pentahomomethionine zwitterion + +[Term] +id: CHEBI:134636 +name: L-hexahomomethionine zwitterion +is_a: CHEBI:134631 ! L-polyhomomethionine zwitterion +is_a: CHEBI:58836 ! hexahomomethionine zwitterion + +[Term] +id: CHEBI:134641 +name: hydroperoxy(epoxy)icosatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:134645 +name: hydroperoxy(hydroxy)icosapentaenoic acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:64009 ! hydroperoxy fatty acid +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:134651 +name: hydroxydocosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid + +[Term] +id: CHEBI:134655 +name: desmethylanhydrotetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines + +[Term] +id: CHEBI:134660 +name: N-hydroxy-L-polyhomomethioninate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:134661 +name: 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate +is_a: CHEBI:133812 ! 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate + +[Term] +id: CHEBI:134663 +name: N,N-dihydroxy-L-polyhomomethioninate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:134664 +name: N-hydroxy-L-dihomomethioninate +is_a: CHEBI:134660 ! N-hydroxy-L-polyhomomethioninate +is_a: CHEBI:58840 ! N-hydroxydihomomethioninate + +[Term] +id: CHEBI:134665 +name: N,N-dihydroxy-L-dihomomethioninate +is_a: CHEBI:134663 ! N,N-dihydroxy-L-polyhomomethioninate +is_a: CHEBI:58846 ! N,N-dihydroxydihomomethioninate + +[Term] +id: CHEBI:134666 +name: N-hydroxy-L-trihomomethioninate +is_a: CHEBI:134660 ! N-hydroxy-L-polyhomomethioninate +is_a: CHEBI:58841 ! N-hydroxytrihomomethioninate + +[Term] +id: CHEBI:134667 +name: N,N-dihydroxy-L-trihomomethioninate +is_a: CHEBI:134663 ! N,N-dihydroxy-L-polyhomomethioninate +is_a: CHEBI:58847 ! N,N-dihydroxytrihomomethioninate + +[Term] +id: CHEBI:134668 +name: N-hydroxy-L-tetrahomomethioninate +is_a: CHEBI:134660 ! N-hydroxy-L-polyhomomethioninate +is_a: CHEBI:58842 ! N-hydroxytetrahomomethioninate + +[Term] +id: CHEBI:134669 +name: N,N-dihydroxy-L-tetrahomomethioninate +is_a: CHEBI:134663 ! N,N-dihydroxy-L-polyhomomethioninate +is_a: CHEBI:58848 ! N,N-dihydroxytetrahomomethioninate + +[Term] +id: CHEBI:134670 +name: N-hydroxy-L-pentahomomethioninate +is_a: CHEBI:134660 ! N-hydroxy-L-polyhomomethioninate +is_a: CHEBI:58843 ! N-hydroxypentahomomethioninate + +[Term] +id: CHEBI:134671 +name: N,N-dihydroxy-L-pentahomomethioninate +is_a: CHEBI:134663 ! N,N-dihydroxy-L-polyhomomethioninate +is_a: CHEBI:58849 ! N,N-dihydroxypentahomomethioninate + +[Term] +id: CHEBI:134672 +name: N-hydroxy-L-hexahomomethioninate +is_a: CHEBI:134660 ! N-hydroxy-L-polyhomomethioninate +is_a: CHEBI:58844 ! N-hydroxyhexahomomethioninate + +[Term] +id: CHEBI:134673 +name: N,N-dihydroxy-L-hexahomomethioninate +is_a: CHEBI:134663 ! N,N-dihydroxy-L-polyhomomethioninate +is_a: CHEBI:58845 ! N,N-dihydroxyhexahomomethioninate + +[Term] +id: CHEBI:134680 +name: omega-(methylsulfanyl)-(E)-alkanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:134681 +name: (E)-6-(methylsulfanyl)hexanal oxime +is_a: CHEBI:134680 ! omega-(methylsulfanyl)-(E)-alkanal oxime +is_a: CHEBI:50701 ! 6-(methylsulfanyl)hexanal oxime + +[Term] +id: CHEBI:134682 +name: (E)-5-(methylsulfanyl)pentanal oxime +is_a: CHEBI:134680 ! omega-(methylsulfanyl)-(E)-alkanal oxime +is_a: CHEBI:50700 ! 5-(methylsulfanyl)pentanal oxime + +[Term] +id: CHEBI:134683 +name: (E)-7-(methylsulfanyl)heptanal oxime +is_a: CHEBI:134680 ! omega-(methylsulfanyl)-(E)-alkanal oxime +is_a: CHEBI:50702 ! 7-(methylsulfanyl)heptanal oxime + +[Term] +id: CHEBI:134684 +name: (E)-8-(methylsulfanyl)octanal oxime +is_a: CHEBI:134680 ! omega-(methylsulfanyl)-(E)-alkanal oxime +is_a: CHEBI:50703 ! 8-(methylsulfanyl)octanal oxime + +[Term] +id: CHEBI:134685 +name: (E)-9-(methylsulfanyl)nonanal oxime +is_a: CHEBI:134680 ! omega-(methylsulfanyl)-(E)-alkanal oxime +is_a: CHEBI:50704 ! 9-(methylsulfanyl)nonanal oxime + +[Term] +id: CHEBI:13488 +name: UDP-D-galacturonic acid +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:13497 +name: UDP-alpha-D-glucosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:13534 +name: acyl-carrier protein +is_a: CHEBI:36080 ! protein +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:135511 +name: rebeccamycin +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:51914 ! organic heterohexacyclic compound +is_a: CHEBI:51915 ! indolocarbazole + +[Term] +id: CHEBI:13601 +name: 3-oxo-5alpha-steroid +is_a: CHEBI:47788 ! 3-oxo steroid + +[Term] +id: CHEBI:136061 +name: (E)-1-(glutathione-S-yl)-omega-(methylthio)alkylhydroximate(1-) +is_a: CHEBI:90779 ! S-substitued glutathione(1-) + +[Term] +id: CHEBI:136065 +name: 1-aci-nitro-omega-(methylsulfanyl)alkane +is_a: CHEBI:136622 ! aci-nitro compound +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:136067 +name: 3-aci-nitropropanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136078 +name: 4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:13610 +name: 3beta-hydroxysterol ester +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:136105 +name: (R)-PGA2-S-glutathione conjugate +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:26347 ! prostanoid + +[Term] +id: CHEBI:136106 +name: (S)-PGA2-S-glutathione conjugate +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:26347 ! prostanoid + +[Term] +id: CHEBI:136107 +name: 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:13611 +name: 4-hydroxy carboxylic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid + +[Term] +id: CHEBI:136110 +name: (R)-PGJ2-S-glutathione conjugate +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:26347 ! prostanoid + +[Term] +id: CHEBI:136112 +name: (S)-PGJ2-S-glutathione conjugate +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:26347 ! prostanoid + +[Term] +id: CHEBI:136113 +name: (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:136115 +name: 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136117 +name: 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136118 +name: (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:13614 +name: 6,7-dihydropteridines +is_a: CHEBI:26373 ! pteridines + +[Term] +id: CHEBI:136179 +name: (+)-7-isojasmonate +is_a: CHEBI:136184 ! jasmonic acid anion + +[Term] +id: CHEBI:136180 +name: N-[(+)-7-isojasmonyl]-L-isoleucinate +is_a: CHEBI:136183 ! N-jasmonyl-L-alpha-amino acid anion +is_a: CHEBI:138627 ! N-[(3R)-jasmonyl]-L-isoleucinate + +[Term] +id: CHEBI:136181 +name: N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate +is_a: CHEBI:138626 ! N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate + +[Term] +id: CHEBI:136182 +name: tuberonate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:136183 +name: N-jasmonyl-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:136184 +name: jasmonic acid anion +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +relationship: has_role CHEBI:24937 ! jasmonates + +[Term] +id: CHEBI:136235 +name: phosphatidylinositol 36:4 +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol + +[Term] +id: CHEBI:136236 +name: phosphatidylinositol 36:2 +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol + +[Term] +id: CHEBI:136239 +name: phosphatidylinositol 38:4 +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol + +[Term] +id: CHEBI:136243 +name: phosphatidylinositol 34:2 +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol + +[Term] +id: CHEBI:136256 +name: phosphatidylserine 36:1 +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine + +[Term] +id: CHEBI:136257 +name: phosphatidylserine 36:2 +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine + +[Term] +id: CHEBI:136282 +name: 9-[(9Z)-octadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136286 +name: 9-hydroxyoctadecanoate +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:136302 +name: 12-[(9Z)-octadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136303 +name: 13-[(9Z)-octadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136304 +name: 13-hydroxyoctadecanoate +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:136309 +name: 9-[(9Z)-hexadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136312 +name: 12-[(9Z)-hexadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136315 +name: 13-[(9Z)-hexadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136330 +name: 12-(octadecanoyloxy)octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136335 +name: 13-(octadecanoyloxy)octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136351 +name: 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136352 +name: (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:136353 +name: (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:136354 +name: (4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:136355 +name: 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:61498 ! epoxy fatty acid + +[Term] +id: CHEBI:136369 +name: 5-[(9Z)-hexadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:13637 +name: flavanone 7-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:72730 ! flavanone glycoside + +[Term] +id: CHEBI:136370 +name: 5-hydroxyoctadecanoate +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:136373 +name: 9-(octadecanoyloxy)octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136389 +name: 5-[(9Z)-octadecenoyloxy]octadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136396 +name: 4-O-[1-D-ribitylphosphono-(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:136397 +name: (2xi)-3-deoxy-7-O-phosphonato-beta-D-threo-hept-6-ulopyranosonate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:136398 +name: N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside(1-) +is_a: CHEBI:21619 ! N-acetylneuraminates + +[Term] +id: CHEBI:136400 +name: 8(S),15(S)-DiHPETE +is_a: CHEBI:138293 ! bis(hydroperoxy)icosatetraenoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136401 +name: 14(R),15(S)-DiHPETE +is_a: CHEBI:138293 ! bis(hydroperoxy)icosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136406 +name: 13-hydroxyoctadecanoic acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid + +[Term] +id: CHEBI:136407 +name: 5-hydroxy-(6E,8Z,11Z,14Z)-icosatetraenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136408 +name: 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136409 +name: 15-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136410 +name: (4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:136411 +name: (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoate +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:136412 +name: 5'-end 2'-deoxyribonucleotide(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136413 +name: adenosine-5'-diphospho-5'-(2'-deoxyribonucleotide) residue(2-) +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136414 +name: adenosine-5'-diphospho-5'-ribonucleotide-2'-deoxyribonucleotide residue(3-) +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136415 +name: 5'-phosphate ribonucleotide-(2'-deoxyribonucleotide) residue(3-) +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136416 +name: 5'-end 2'-deoxyribonucleoside residue +is_a: CHEBI:50320 ! nucleoside residue + +[Term] +id: CHEBI:136418 +name: guanosine-5'-diphospho-5'-(2'-deoxyribonucleotide)(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136419 +name: 3'-end 2'-deoxyribonucleotide-3'-diphospho-5'-guanosine(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136420 +name: 3'-end 5'-phosphate-ribonucleotide(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136422 +name: (Z)-desulfoglucotropeolin +is_a: CHEBI:15911 ! desulfoglucotropeolin + +[Term] +id: CHEBI:136424 +name: (E)-omega-[(methylsulfanyl)alkyl]thiohydroximate +is_a: CHEBI:84291 ! organic sulfur anion + +[Term] +id: CHEBI:136425 +name: omega-(methylsulfanyl)alkyl desulfoglucosinolate +is_a: CHEBI:136442 ! desulfoglucosinolic acid + +[Term] +id: CHEBI:136428 +name: N-hydroxyimidothioate +is_a: CHEBI:83991 ! imidothioate + +[Term] +id: CHEBI:13643 +name: glycol +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:136432 +name: (E)-2-(indol-3-yl)-1-thioacetohydroximate +is_a: CHEBI:84291 ! organic sulfur anion + +[Term] +id: CHEBI:136433 +name: 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:33272 ! ketimine +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:136434 +name: omega-[(methylsulfanyl)alkyl]glucosinolate +is_a: CHEBI:62651 ! thia-alkylglucosinolate + +[Term] +id: CHEBI:136435 +name: omega-[(methylsulfinyl)alkyl]glucosinolate +is_a: CHEBI:36445 ! alkylglucosinolate + +[Term] +id: CHEBI:136436 +name: 2-hydroxy-(indol-3-yl)acetate +is_a: CHEBI:38468 ! indol-3-yl carboxylic acid anion + +[Term] +id: CHEBI:136437 +name: 3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid +is_a: CHEBI:33272 ! ketimine +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:52508 ! chloroindole + +[Term] +id: CHEBI:136438 +name: D-thioglucoside +is_a: CHEBI:9553 ! thioglucoside + +[Term] +id: CHEBI:136439 +name: (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoate +is_a: CHEBI:131873 ! EpETE(1-) + +[Term] +id: CHEBI:136440 +name: beta-D-thioglucoside +is_a: CHEBI:136438 ! D-thioglucoside + +[Term] +id: CHEBI:136441 +name: (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoate +is_a: CHEBI:131873 ! EpETE(1-) + +[Term] +id: CHEBI:136442 +name: desulfoglucosinolic acid +is_a: CHEBI:136428 ! N-hydroxyimidothioate +is_a: CHEBI:136440 ! beta-D-thioglucoside + +[Term] +id: CHEBI:136443 +name: (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoate +is_a: CHEBI:131873 ! EpETE(1-) + +[Term] +id: CHEBI:136444 +name: (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1-) +is_a: CHEBI:90779 ! S-substitued glutathione(1-) + +[Term] +id: CHEBI:136445 +name: 1-aci-nitro-2-(1H-indol-3-yl)ethane +is_a: CHEBI:136622 ! aci-nitro compound +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:136447 +name: (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1-) +is_a: CHEBI:90779 ! S-substitued glutathione(1-) + +[Term] +id: CHEBI:136448 +name: Cer(d18:0/18:1) +is_a: CHEBI:31488 ! N-acylsphinganine + +[Term] +id: CHEBI:136456 +name: glycolaldehyde phosphate +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25381 ! monoalkyl phosphate + +[Term] +id: CHEBI:136485 +name: 8(S),15(S)-DiHETE +is_a: CHEBI:88456 ! 8,15-DiHETE +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136492 +name: N-(2,6-diethylphenyl)-2-chloroacetamide +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:62733 ! aromatic amide +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:136493 +name: phosphatidylinositol (16:0/18:2) +is_a: CHEBI:136243 ! phosphatidylinositol 34:2 + +[Term] +id: CHEBI:136494 +name: N-(2-ethyl-6-methylphenyl)-2-chloroacetamide +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:62733 ! aromatic amide + +[Term] +id: CHEBI:136505 +name: homocysteine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative + +[Term] +id: CHEBI:136507 +name: mycobilin a(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:136508 +name: mycobilin b(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:136509 +name: biliverdin beta(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:136510 +name: biliverdin delta(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:136511 +name: manganese dioxide +is_a: CHEBI:133331 ! metal oxide +is_a: CHEBI:25154 ! manganese molecular entity + +[Term] +id: CHEBI:136512 +name: bacteriochlorophyllide e(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:136513 +name: 7,7-dihydroxybacteriochlorophyllide c(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:136514 +name: indol-3-ylmethylamine(1+) +is_a: CHEBI:65296 ! primary ammonium ion + +[Term] +id: CHEBI:136515 +name: 3-(methylaminomethyl)indole(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:136516 +name: gramine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:136517 +name: anaerobilin dizwitterion +is_a: CHEBI:35285 ! iminium betaine + +[Term] +id: CHEBI:136518 +name: 8-amino-8-demethylriboflavin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:136520 +name: 8-demethyl-8-(methylamino)riboflavin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:136521 +name: roseoflavin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:136522 +name: (9Z,12Z)-11-hydroxyoctadecadienoate +is_a: CHEBI:131861 ! HODE(1-) + +[Term] +id: CHEBI:136523 +name: 7-HETE(1-) +is_a: CHEBI:131858 ! HETE anion + +[Term] +id: CHEBI:136524 +name: 13-HETE(1-) +is_a: CHEBI:131858 ! HETE anion + +[Term] +id: CHEBI:136531 +name: 13-oxo-9,11-octadecadienoic acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:72812 ! oxooctadecadienoic acid + +[Term] +id: CHEBI:136541 +name: (R)-2-(phosphonomethyl)malate(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:136542 +name: (+)-sesamin monocatechol +is_a: CHEBI:18135 ! catechol +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:47790 ! furofuran + +[Term] +id: CHEBI:136543 +name: (+)-sesamin dicatechol +is_a: CHEBI:18135 ! catechol +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:47790 ! furofuran +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:136544 +name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl(1-) group +is_a: CHEBI:60105 ! alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl(1-) group + +[Term] +id: CHEBI:136545 +name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:136557 +name: (4aS,10bR)-noroxomaritidine +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:136560 +name: (4aR,10bS)-noroxomaritidine +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:136562 +name: long-chain fatty acyl-AMP(1-) +is_a: CHEBI:83622 ! fatty acyl-AMP(1-) + +[Term] +id: CHEBI:136563 +name: (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid +is_a: CHEBI:72654 ! epoxydocosapentaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136564 +name: (R)-dyspropterin +is_a: CHEBI:17804 ! dyspropterin + +[Term] +id: CHEBI:136565 +name: (6R)-6-lactoyl-5,6,7,8-tetrahydropterin +is_a: CHEBI:17248 ! 6-lactoyl-5,6,7,8-tetrahydropterin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:136566 +name: (24S)-hydroxycholesterol 24-sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:136567 +name: (24S)-hydroxycholesterol 3-sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:136568 +name: (24S)-hydroxycholesterol 3,24-disulfate(2-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:136569 +name: (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid +is_a: CHEBI:72654 ! epoxydocosapentaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136570 +name: (6R)-5,6,7,8-tetrahydrobiopterin +is_a: CHEBI:15372 ! 5,6,7,8-tetrahydrobiopterin + +[Term] +id: CHEBI:136572 +name: (6R)-5,10-methylenetetrahydrofolate poly(gamma-L-glutamate) macromolecule +is_a: CHEBI:60473 ! 5,10-methylenetetrahydrofolate polyglutamate macromolecule + +[Term] +id: CHEBI:136573 +name: (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoic acid +is_a: CHEBI:136574 ! epoxydocosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136574 +name: epoxydocosatetraenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid + +[Term] +id: CHEBI:136575 +name: (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid +is_a: CHEBI:136574 ! epoxydocosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136576 +name: (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid +is_a: CHEBI:136574 ! epoxydocosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136579 +name: cholesterol sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:136581 +name: 2-hydroxy-(indol-3-yl)acetic acid +is_a: CHEBI:24803 ! indole-3-acetic acids +is_a: CHEBI:84729 ! hydroxyindoles + +[Term] +id: CHEBI:136582 +name: 17beta-estradiol 3-sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:136583 +name: (7Z,13Z,16Z,19Z)-10,11-epoxydocosatetraenoic acid +is_a: CHEBI:136574 ! epoxydocosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136584 +name: (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoic acid +is_a: CHEBI:134651 ! hydroxydocosapentaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136587 +name: (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136588 +name: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:136589 +name: N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminide(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:136590 +name: 4-O-phosphonato-D-threonate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136591 +name: D-erythronate +is_a: CHEBI:133792 ! erythronate + +[Term] +id: CHEBI:136592 +name: (S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-) +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136593 +name: (R)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-) +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136594 +name: (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136595 +name: (7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:136596 +name: 4-hydroxy monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:136597 +name: 12-oxo-6-trans-leukotriene B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:136598 +name: 3-amino-D-alanine +is_a: CHEBI:18383 ! 3-aminoalanine +is_a: CHEBI:83944 ! D-alanine derivative + +[Term] +id: CHEBI:136599 +name: 3-amino-D-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:136602 +name: (1->4)-6-phospho-alpha-D-glucan +is_a: CHEBI:71298 ! glucan derivative + +[Term] +id: CHEBI:136606 +name: N-arachidonoyl-L-phenylalanine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:77673 ! N-acyl-L-phenylalanine + +[Term] +id: CHEBI:136614 +name: N-oleoyl-L-serine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:136615 +name: N-oleoyl-L-glutamine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:24317 ! L-glutamine derivative + +[Term] +id: CHEBI:136616 +name: N-oleoyl-L-leucine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:25018 ! L-leucine derivative + +[Term] +id: CHEBI:136618 +name: N-[(9Z)-hexadecenoyl]glycine +is_a: CHEBI:134150 ! N-acylglycine 16:1 +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:136622 +name: aci-nitro compound +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:136623 +name: N-octadecanoylglycine +is_a: CHEBI:134151 ! N-acylglycine 18:0 +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:136624 +name: 2,6-O-bis(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:136625 +name: 2-O-(alpha-D-mannopyranosyl)-6-O-(6-acyl-alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:136626 +name: (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoic acid +is_a: CHEBI:136627 ! hydroperoxyicosatrienoic acid + +[Term] +id: CHEBI:136627 +name: hydroperoxyicosatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:136630 +name: (8Z,11Z,14Z)-10-hydroperoxyicosatrienoic acid +is_a: CHEBI:136627 ! hydroperoxyicosatrienoic acid + +[Term] +id: CHEBI:136631 +name: (8Z,12E,14Z)-11-hydroperoxyicosatrienoic acid +is_a: CHEBI:136627 ! hydroperoxyicosatrienoic acid + +[Term] +id: CHEBI:136632 +name: (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid +is_a: CHEBI:72852 ! EpETE + +[Term] +id: CHEBI:136633 +name: (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:61498 ! epoxy fatty acid + +[Term] +id: CHEBI:136634 +name: estrone 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136635 +name: 16alpha-hydroxyestrone 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136636 +name: 16alpha-hydroxyestrone 16-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136637 +name: steroid glucosiduronic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:136638 +name: 9-hydroxyoctadecanoic acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid + +[Term] +id: CHEBI:136639 +name: testosterone 17-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136640 +name: (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium +is_a: CHEBI:60521 ! indole alkaloid cation + +[Term] +id: CHEBI:136641 +name: 17beta-estradiol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136642 +name: 17alpha-estradiol 17-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136649 +name: estriol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136650 +name: estriol 16-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136653 +name: 20-hydroxyprostaglandin E2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:136654 +name: 13(S)-HETE(1-) +is_a: CHEBI:136524 ! 13-HETE(1-) + +[Term] +id: CHEBI:136655 +name: 13(R)-HODE(1-) +is_a: CHEBI:133819 ! 13-HODE(1-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:136656 +name: (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:136657 +name: (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:136661 +name: 20-hydroxyprostaglandin E1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:136662 +name: (5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid +is_a: CHEBI:136656 ! (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid + +[Term] +id: CHEBI:136663 +name: 20-hydroxyprostaglandin A1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:136668 +name: (R)-3,4-dihydroxy-2-oxobutanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:136669 +name: (S)-3,4-dihydroxy-2-oxobutanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:136670 +name: (S)-2,4-dihydroxy-3-oxobutanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:136672 +name: N-hexadecanoyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine + +[Term] +id: CHEBI:136673 +name: epitestosterone 17-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136674 +name: (acetamidomethyl)phosphonic acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:26069 ! phosphonic acids + +[Term] +id: CHEBI:136675 +name: (S)-(1-aminoethyl)phosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:136677 +name: [(S)-1-acetamidoethyl]phosphonic acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:26069 ! phosphonic acids + +[Term] +id: CHEBI:136678 +name: 4',7-dihydroxyflavanone +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38749 ! dihydroxyflavanone +relationship: has_role CHEBI:140165 ! Brassica napus metabolite +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite + +[Term] +id: CHEBI:136679 +name: (R)-2-amino-4-oxopentanoic acid +is_a: CHEBI:15914 ! 2-amino-4-oxopentanoic acid +is_a: CHEBI:83944 ! D-alanine derivative + +[Term] +id: CHEBI:136682 +name: tembetarine +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:136683 +name: N-arachidonoyl-L-leucine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:25018 ! L-leucine derivative + +[Term] +id: CHEBI:136686 +name: (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid +is_a: CHEBI:134615 ! hydroperoxyoctadecatrienoic acid + +[Term] +id: CHEBI:136687 +name: 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:24913 ! isoprenoid +is_a: CHEBI:37814 ! dialkylglycerophosphoethanolamine +is_a: CHEBI:76170 ! olefinic phospholipid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:136688 +name: N-acetyl-alpha-D-glucosaminyl-L-tyrosine +is_a: CHEBI:21990 ! O(4')-glycosyl-L-tyrosine + +[Term] +id: CHEBI:136698 +name: 3-oxochenodeoxycholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:136699 +name: S-adenosyl-S-carboxymethyl-L-homocysteine +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:26830 ! sulfonium compound +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:136700 +name: 3-oxocholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:136701 +name: 3-oxodeoxycholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:136702 +name: ximelagatran (hydroxylamine form) +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:140326 ! tertiary carboxamide +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:38777 ! azetidines + +[Term] +id: CHEBI:136703 +name: 3-oxocholan-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:136704 +name: N-propanoyl-L-methioninate +is_a: CHEBI:136716 ! N-(fatty acyl)-L-alpha-amino acid anion + +[Term] +id: CHEBI:136707 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:136708 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-6-O-phosphonato-alpha-D-mannosyl-L-serine(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:136709 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:136710 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-6-O-phosphonato-alpha-D-mannosyl-L-threonine(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:136711 +name: N-oleoyl-L-isoleucine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative + +[Term] +id: CHEBI:136712 +name: pivaloyl-CoA(4-) +is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136713 +name: N-oleoyl-L-glutamic acid +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:21650 ! N-acyl-L-glutamic acid + +[Term] +id: CHEBI:136714 +name: C-terminal-gamma-(L-glutamyl)-L-glutamyl(3-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:136716 +name: N-(fatty acyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:136717 +name: C-terminal-gamma-(5-phospho-L-glutamyl )-L-glutamyl(4-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:136730 +name: (S)-all-trans-4-hydroxyretinoic acid +is_a: CHEBI:63795 ! all-trans-4-hydroxyretinoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136731 +name: 5-hydroxymethyldeoxycytidine 5'-monophosphate(1-) residue +is_a: CHEBI:65262 ! pyrimidine deoxyribonucleotide(1-) residue + +[Term] +id: CHEBI:136734 +name: (R)-laudanosine +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:46774 ! polyether +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:136735 +name: (R)-tetrahydropapaverine +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:46774 ! polyether +is_a: CHEBI:50995 ! secondary amino compound + +[Term] +id: CHEBI:136742 +name: 2-O-[alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glycerate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:136743 +name: 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glycerate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:136746 +name: 5-phospho-D-xylonic acid +is_a: CHEBI:22300 ! aldonic acid phosphate +is_a: CHEBI:33845 ! xylonic acid derivative + +[Term] +id: CHEBI:136749 +name: 5-phospho-D-xylonate (3-) +is_a: CHEBI:136596 ! 4-hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136750 +name: D-xylono-1,4-lactone-5-phosphate +is_a: CHEBI:37429 ! aldonolactone phosphate +is_a: CHEBI:37581 ! gamma-lactone + +[Term] +id: CHEBI:136751 +name: D-xylono-1,4-lactone-5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136752 +name: L-arabino-1,4-lactone-5-phosphate +is_a: CHEBI:37429 ! aldonolactone phosphate +is_a: CHEBI:37581 ! gamma-lactone + +[Term] +id: CHEBI:136753 +name: L-arabino-1,4-lactone-5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136754 +name: 5-phospho-L-arabinonic acid +is_a: CHEBI:33447 ! phospho sugar +is_a: CHEBI:33843 ! arabinonic acid derivative + +[Term] +id: CHEBI:136756 +name: 5-phospho-L-arabinonate(3-) +is_a: CHEBI:136596 ! 4-hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136757 +name: long-chain (3S)-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136758 +name: long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136759 +name: (22E)-3-oxochola-4,22-dien-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:136760 +name: short-chain (3S)-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) + +[Term] +id: CHEBI:136761 +name: C-terminal-gamma-(L-glutamyl 5-semialdehyde)-L-glutamyl(2-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:136763 +name: C-terminal-gamma-(L-ornithyl)-L-glutamyl(1-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:136765 +name: L-alpha-phenylglycine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:136766 +name: N-acetyl-L-alpha-phenylglycinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:136769 +name: alpha-D-galactopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->3)-1,2-diacyl-sn-glycerol +is_a: CHEBI:63779 ! alpha-D-Gal-(1->2)-alpha-D-Glc-(1->3')-1,2-diacylglycerol + +[Term] +id: CHEBI:136798 +name: 4-thiouridine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136799 +name: 5-methyl-2-thiouridine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136810 +name: 12-hydroxyjasmonates +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:136811 +name: 12-sulfojasmonate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:136812 +name: 11-hydroxyjasmonate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:136813 +name: 11-sulfojasmonate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:136819 +name: 5-hydroxyoctadecanoic acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid + +[Term] +id: CHEBI:136820 +name: RNA polyanion 2',3'-cyclic phosphate +is_a: CHEBI:60164 ! ionic polymer + +[Term] +id: CHEBI:136821 +name: RNA polyanion nucleotide 2'-phosphate +is_a: CHEBI:60164 ! ionic polymer + +[Term] +id: CHEBI:136822 +name: cyclobis-(1->6)-alpha-nigerosyl +is_a: CHEBI:50126 ! tetrasaccharide +is_a: CHEBI:51026 ! macrocycle + +[Term] +id: CHEBI:136823 +name: alpha-D-Glcp-(1->6)-alpha-D-Glcp-(1->3)-alpha-D-Glcp-(1->6)-D-Glcp +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:136824 +name: mandelamide +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:136825 +name: (E)-1-(glycyl-L-cystein-S-yl)-omega-(methylthio)alkylhydroximate zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion + +[Term] +id: CHEBI:136826 +name: xanthogalenol +is_a: CHEBI:23086 ! chalcones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:136828 +name: 4'-O-methylxanthohumol +is_a: CHEBI:23086 ! chalcones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor + +[Term] +id: CHEBI:136829 +name: 1-aci-nitro-2-(phenyl)ethane +is_a: CHEBI:136622 ! aci-nitro compound +is_a: CHEBI:22712 ! benzenes + +[Term] +id: CHEBI:136830 +name: S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion + +[Term] +id: CHEBI:136831 +name: S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion + +[Term] +id: CHEBI:136832 +name: Cys(IAN)-Gly zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion + +[Term] +id: CHEBI:136833 +name: glycolaldehyde triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136834 +name: 2-sulfenohercynine +is_a: CHEBI:22860 ! amino-acid betaine +is_a: CHEBI:51334 ! SO-thioperoxol +is_a: CHEBI:84076 ! L-histidine derivative + +[Term] +id: CHEBI:136840 +name: pheophytin a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:136841 +name: nickel-sirohydrochlorin(8-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:136842 +name: tenuazonic acid(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:136848 +name: beta-bitter acid +is_a: CHEBI:23824 ! diol +is_a: CHEBI:33823 ! enol +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:136849 +name: 3-oxo-Delta(4)-steroid group +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:136850 +name: 2-acyl-4,6-diprenylphloroglucinol +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:76224 ! aromatic ketone +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:136851 +name: colupulone +is_a: CHEBI:136848 ! beta-bitter acid + +[Term] +id: CHEBI:136852 +name: adlupulone +is_a: CHEBI:136848 ! beta-bitter acid + +[Term] +id: CHEBI:136853 +name: 3-(acyloxy)acyl group +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:136856 +name: O-succinyl-L-serinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:136857 +name: N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:136858 +name: beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:136859 +name: pro-agent +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:136860 +name: antidote to sarin poisoning +is_a: CHEBI:50247 ! antidote + +[Term] +id: CHEBI:136873 +name: oligoglycosyl-(1->4)-beta-D-glucose +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:136875 +name: oligoglycosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:62941 ! glycosylceramide + +[Term] +id: CHEBI:136876 +name: 1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:36054 ! benzoate ester +is_a: CHEBI:52782 ! O-acyl carbohydrate +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:136877 +name: 5-hydroxyuridine 5'-phosphate(1-) residue +is_a: CHEBI:90675 ! ribonucleotide residue(1-) + +[Term] +id: CHEBI:136878 +name: C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue +is_a: CHEBI:133243 ! O-[S-(long-chain acyl)pantetheine-4'-phosphoryl]serine(1-) residue + +[Term] +id: CHEBI:136879 +name: 5-(carboxymethoxy)uridine 5'-phosphate(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136881 +name: 3-carboxy-3-hydroxypropanoyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:136882 +name: 17-epiestriol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136883 +name: 17-epiestriol 17-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136884 +name: 17-epiestriol 16-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136885 +name: 16-epiestriol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136886 +name: 16-epiestriol 16-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136887 +name: nickel-sirohydrochlorin a,c-diamide(6-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +is_a: CHEBI:59360 ! hexacarboxylic acid anion + +[Term] +id: CHEBI:136888 +name: 15,17(3)-seco-F430-17(3)-acid(6-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +is_a: CHEBI:59360 ! hexacarboxylic acid anion + +[Term] +id: CHEBI:136889 +name: 5beta steroid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:136890 +name: 3-dimethylallyl-4-hydroxymandelate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:136891 +name: 2'-unsubstituted isoflavones +is_a: CHEBI:38757 ! isoflavones + +[Term] +id: CHEBI:136895 +name: dTDP-L-rhamnose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:136896 +name: 5'-(5'-triphosphoguanosine)-(purine-ribonucleotide)(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136897 +name: O-[S-(3S)-hydroxy-3-methylglutarylpantetheine-4'-phosphoryl]-L-serine(2-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:136899 +name: chenodeoxycholic acid 24-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136900 +name: cholic acid 24-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136901 +name: deoxycholic acid 24-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136902 +name: lithocholic acid 24-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136903 +name: hyodeoxycholic acid 24-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136904 +name: hyocholic acid 24-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136905 +name: hyodeoxycholate 6-O-(beta-D-glucuronide)(2-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136906 +name: hyocholate 6-O-(beta-D-glucuronide)(2-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136907 +name: (7S)-7-hydroxy-C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue +is_a: CHEBI:133243 ! O-[S-(long-chain acyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:133479 ! S-(long-chain fatty acyl)-L-cysteine residue + +[Term] +id: CHEBI:136908 +name: (7R,8R)-7,8-dihydroxy-C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue +is_a: CHEBI:133243 ! O-[S-(long-chain acyl)pantetheine-4'-phosphoryl]serine(1-) residue + +[Term] +id: CHEBI:136910 +name: O-[S-(7-oxoheptanoyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:136911 +name: N-(4-ammoniobutylidene)-L-lysinium(2+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:136912 +name: 1,2-diacyl-sn-glycero-3-phospholipid +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:136913 +name: monoacyl-sn-glycero-3-phospholipid +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:136914 +name: 5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136916 +name: 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide](2-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:136931 +name: 2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136933 +name: 2-hydroxy-17beta-estradiol 2-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136936 +name: 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136937 +name: 4-hydroxy-17beta-estradiol 4-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136960 +name: ditrans,polycis-polyprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:136965 +name: lithocholate 3-O-(beta-D-glucuronide)(2-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136966 +name: 3beta-hydroxysteroid-4alpha-carboxylate +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:136967 +name: 2-hydroxyestrone 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136969 +name: 4-hydroxyestrone 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136970 +name: 4-hydroxyestrone 4-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136971 +name: 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136972 +name: 4-methoxyestrone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:136973 +name: 4-methoxyestrone 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136974 +name: 2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136975 +name: 4-methoxy-17beta-estradiol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:136976 +name: 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:136977 +name: 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)-(ribonucleotide)(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136978 +name: 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)-(2'-O-methyl-ribonucleotide)(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136979 +name: isowyosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:136980 +name: 2-hydroxy-3-O-methyl estrone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:36857 ! 2-hydroxy steroid + +[Term] +id: CHEBI:136982 +name: 5alpha-dihydrotestosterone sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:136983 +name: (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:136984 +name: EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor +is_a: CHEBI:76831 ! EC 4.4.1.* (C-S lyase) inhibitor + +[Term] +id: CHEBI:136985 +name: S-prenyl-L-cysteine zwitterion +is_a: CHEBI:137935 ! S-polyprenyl-L-cysteine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:136986 +name: 2-hydroxyhexacosanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA + +[Term] +id: CHEBI:136987 +name: N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:83982 ! L-glutamic acid derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:136988 +name: N-[(8Z,11Z,14Z)-5,6-epoxyicosatrienoyl]ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136989 +name: N-[(5Z,11Z,14Z)-8,9-epoxyicosatrienoyl]ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136990 +name: N-[(5Z,8Z,14Z)-11,12-epoxyicosatrienoyl]ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136991 +name: N-[(5Z,8Z,11Z)-14,15-epoxyicosatrienoyl]ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136992 +name: N-(20-hydroxyarachidonoyl)ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136994 +name: 2-(glutathion-S-yl)-1,4-hydroquinone +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:35683 ! aryl sulfide +relationship: has_role CHEBI:50909 ! nephrotoxic agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:136996 +name: 9-[(9Z)-octadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:136997 +name: L-polyhomomethionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:136998 +name: L-dihomomethionine +is_a: CHEBI:136997 ! L-polyhomomethionine +is_a: CHEBI:50710 ! dihomomethionine + +[Term] +id: CHEBI:136999 +name: L-trihomomethionine +is_a: CHEBI:136997 ! L-polyhomomethionine +is_a: CHEBI:50711 ! trihomomethionine + +[Term] +id: CHEBI:137000 +name: C-terminal Xaa-Gly(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137001 +name: C-terminal alpha-amino-acid amide residue +is_a: CHEBI:22332 ! alkylamino group + +[Term] +id: CHEBI:137002 +name: L-tetrahomomethionine +is_a: CHEBI:136997 ! L-polyhomomethionine +is_a: CHEBI:50712 ! tetrahomomethionine + +[Term] +id: CHEBI:137003 +name: C-terminal Xaa-hydroxyglycino(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137004 +name: L-pentahomomethionine +is_a: CHEBI:136997 ! L-polyhomomethionine +is_a: CHEBI:50713 ! pentahomomethionine + +[Term] +id: CHEBI:137005 +name: L-hexahomomethionine +is_a: CHEBI:136997 ! L-polyhomomethionine +is_a: CHEBI:50714 ! hexahomomethionine + +[Term] +id: CHEBI:137006 +name: N-hydroxy-L-polyhomomethionine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:137007 +name: N,N-dihydroxy-L-polyhomomethionine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:137009 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)ethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:137010 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:137015 +name: 3-dehydro-scyllo-inosose +is_a: CHEBI:64809 ! tetrahydroxycyclohexanone +is_a: CHEBI:67265 ! beta-diketone +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:137016 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-arachidonoyl)ethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:137017 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phosphate(2-) +is_a: CHEBI:77283 ! 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) + +[Term] +id: CHEBI:137021 +name: 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid +is_a: CHEBI:136355 ! 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137022 +name: N-hydroxy-L-dihomomethionine +is_a: CHEBI:137006 ! N-hydroxy-L-polyhomomethionine +is_a: CHEBI:50758 ! N-hydroxydihomomethionine + +[Term] +id: CHEBI:137023 +name: N-hydroxy-L-trihomomethionine +is_a: CHEBI:137006 ! N-hydroxy-L-polyhomomethionine +is_a: CHEBI:50761 ! N-hydroxytrihomomethionine + +[Term] +id: CHEBI:137024 +name: N-hydroxy-L-tetrahomomethionine +is_a: CHEBI:137006 ! N-hydroxy-L-polyhomomethionine +is_a: CHEBI:50762 ! N-hydroxytetrahomomethionine + +[Term] +id: CHEBI:137025 +name: N-hydroxy-L-pentahomomethionine +is_a: CHEBI:137006 ! N-hydroxy-L-polyhomomethionine +is_a: CHEBI:50763 ! N-hydroxypentahomomethionine + +[Term] +id: CHEBI:137026 +name: N-hydroxy-L-hexahomomethionine +is_a: CHEBI:137006 ! N-hydroxy-L-polyhomomethionine +is_a: CHEBI:50764 ! N-hydroxyhexahomomethionine + +[Term] +id: CHEBI:137027 +name: N,N-dihydroxy-L-dihomomethionine +is_a: CHEBI:137007 ! N,N-dihydroxy-L-polyhomomethionine +is_a: CHEBI:50767 ! N,N-dihydroxydihomomethionine + +[Term] +id: CHEBI:137028 +name: N,N-dihydroxy-L-trihomomethionine +is_a: CHEBI:137007 ! N,N-dihydroxy-L-polyhomomethionine +is_a: CHEBI:50768 ! N,N-dihydroxytrihomomethionine + +[Term] +id: CHEBI:137029 +name: N,N-dihydroxy-L-tetrahomomethionine +is_a: CHEBI:137007 ! N,N-dihydroxy-L-polyhomomethionine +is_a: CHEBI:58848 ! N,N-dihydroxytetrahomomethioninate + +[Term] +id: CHEBI:137030 +name: N,N-dihydroxy-L-pentahomomethionine +is_a: CHEBI:137007 ! N,N-dihydroxy-L-polyhomomethionine +is_a: CHEBI:50770 ! N,N-dihydroxypentahomomethionine + +[Term] +id: CHEBI:137031 +name: 19-hydroxy-5alpha-dihydrotestosterone +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36842 ! 19-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137032 +name: 19-oxo-5alpha-dihydrotestosterone +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:38149 ! 19-oxo steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137033 +name: N,N-dihydroxy-L-hexahomomethionine +is_a: CHEBI:137007 ! N,N-dihydroxy-L-polyhomomethionine +is_a: CHEBI:50765 ! N,N-dihydroxyhexahomomethionine + +[Term] +id: CHEBI:137037 +name: 18-hydroxy-5alpha-dihydrotestosterone +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36855 ! 18-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137039 +name: 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:137040 +name: short chain fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:137041 +name: quinine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:51323 ! cinchona alkaloid +relationship: has_role CHEBI:38068 ! antimalarial +relationship: has_role CHEBI:51371 ! muscle relaxant + +[Term] +id: CHEBI:137043 +name: N-[(+)-7-isojasmonyl]-L-isoleucine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative +relationship: has_role CHEBI:24937 ! jasmonates +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:137044 +name: N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative +relationship: has_role CHEBI:140165 ! Brassica napus metabolite + +[Term] +id: CHEBI:137046 +name: 6beta,16alpha,17alpha-trihydroxyprogesterone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:137047 +name: 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:137049 +name: 16alpha,17alpha-dihydroxypregnenolone +is_a: CHEBI:131698 ! pregnane sterol +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:36730 ! hydroxypregnenolone + +[Term] +id: CHEBI:13705 +name: acetoacetate +is_a: CHEBI:133292 ! 3-oxo fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137050 +name: 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:137053 +name: (24Z),26-hydroxydesmosterol +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137057 +name: cholesta-5,7-dien-3beta,25-diol +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36864 ! 25-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137061 +name: cholesta-5,7-dien-3beta,24S-diol +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137062 +name: 7-oxo-5alpha-cholestan-3beta-ol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:47789 ! 7-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137063 +name: cholestanol 7alpha,8alpha-epoxide +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137076 +name: 1beta-hydroxytestosterone +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +is_a: CHEBI:71017 ! 1-hydroxy steroid + +[Term] +id: CHEBI:137077 +name: 2beta-hydroxytestosterone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:86013 ! 2-hydroxytestosterone +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:137082 +name: 12-[(9Z)-octadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137083 +name: 13-[(9Z)-octadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137084 +name: 9-[(9Z)-hexadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137085 +name: 12-[(9Z)-hexadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137086 +name: 13-[(9Z)-hexadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137089 +name: 12-(octadecanoyloxy)octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:85208 ! 12-hydroxyoctadecanoic acid + +[Term] +id: CHEBI:137091 +name: 13-(octadecanoyloxy)octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137097 +name: 9-(octadecanoyloxy)octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137102 +name: 5-[(9Z)-hexadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137106 +name: 5-[(9Z)-octadecenoyloxy]octadecanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:137107 +name: 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:137108 +name: 5-dehydro-L-gluconate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:60978 ! ketogluconate + +[Term] +id: CHEBI:137109 +name: (2xi)-3-deoxy-7-O-phospho-beta-D-threo-hept-6-ulopyranosonic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate + +[Term] +id: CHEBI:13711 +name: acetyl phosphate(1-) +is_a: CHEBI:60199 ! acyl monophosphate(1-) +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:137110 +name: 17beta-hydroxy-5alpha-estr-1(10)-en-3-one +is_a: CHEBI:131591 ! C18-steroid +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid + +[Term] +id: CHEBI:137111 +name: 5-hydroxy-(6E,8Z,11Z,14Z)-icosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:137112 +name: 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:137116 +name: N-carbamoyl-L-methioninate +is_a: CHEBI:58865 ! N-carbamoyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:137117 +name: (S)-5-[2-(methylthio)ethyl]hydantoin +is_a: CHEBI:86340 ! L-5-monosubstituted hydantoin + +[Term] +id: CHEBI:13714 +name: 1-O-acetylmaltose +is_a: CHEBI:52782 ! O-acyl carbohydrate +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:137145 +name: 15-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:137150 +name: (R)-5-[2-(methylthio)ethyl]hydantoin +is_a: CHEBI:86339 ! D-5-monosubstituted hydantoin + +[Term] +id: CHEBI:137152 +name: N-carbamoyl-D-methioninate +is_a: CHEBI:85602 ! N-carbamoyl-D-alpha-amino acid anion + +[Term] +id: CHEBI:137154 +name: (4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoic acid +is_a: CHEBI:72653 ! (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid + +[Term] +id: CHEBI:137155 +name: phosphatidylserine 36:3 +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine + +[Term] +id: CHEBI:137156 +name: phosphatidylserine(18:1/18:2) +is_a: CHEBI:137155 ! phosphatidylserine 36:3 + +[Term] +id: CHEBI:137165 +name: (S)-6-acetamido-3-aminohexanoic acid zwitterion +is_a: CHEBI:58498 ! 6-acetamido-3-aminohexanoic acid zwitterion + +[Term] +id: CHEBI:137166 +name: 16(R)-HETE(1-) +is_a: CHEBI:132019 ! 16-HETE(1-) + +[Term] +id: CHEBI:137167 +name: 16(S)-HETE(1-) +is_a: CHEBI:132019 ! 16-HETE(1-) + +[Term] +id: CHEBI:137168 +name: alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137169 +name: alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137172 +name: prostaglandin E2 2-glyceryl ester +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:26338 ! prostaglandins E +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:36132 ! alicyclic ketone +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:137179 +name: UDP-2,3-diacyl-alpha-D-glucosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:137180 +name: 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137182 +name: N(4)-\{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:137183 +name: (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid +is_a: CHEBI:72653 ! (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid + +[Term] +id: CHEBI:137186 +name: N(4)-\{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:137187 +name: 15(S)-HPETE 2-glyceryl ester +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:61051 ! lipid hydroperoxide + +[Term] +id: CHEBI:13719 +name: acetylsalicylate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:137193 +name: (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid +is_a: CHEBI:72852 ! EpETE + +[Term] +id: CHEBI:1372 +name: 1-pyrroline-5-carboxylic acid +is_a: CHEBI:19098 ! 1-pyrrolinecarboxylic acid + +[Term] +id: CHEBI:137207 +name: N(4)-\{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:137211 +name: (E)-2-(indol-3-yl)-1-thioacetohydroximic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:80992 ! thiohydroximic acid + +[Term] +id: CHEBI:137257 +name: omega-[(methylsulfanyl)alkyl]glucosinolic acid +is_a: CHEBI:79322 ! thia-alkylglucosinolic acid + +[Term] +id: CHEBI:137260 +name: omega-[(methylsulfinyl)alkyl]glucosinolic acid +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:79327 ! alkylglucosinolic acid + +[Term] +id: CHEBI:137265 +name: (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate +is_a: CHEBI:136428 ! N-hydroxyimidothioate +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:137267 +name: (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid +is_a: CHEBI:72852 ! EpETE + +[Term] +id: CHEBI:137269 +name: (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid +is_a: CHEBI:72852 ! EpETE + +[Term] +id: CHEBI:137281 +name: (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate +is_a: CHEBI:136428 ! N-hydroxyimidothioate +is_a: CHEBI:24335 ! glutathione conjugate + +[Term] +id: CHEBI:137287 +name: mycobilin a +is_a: CHEBI:25046 ! linear tetrapyrrole +is_a: CHEBI:33855 ! arenecarbaldehyde +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:137297 +name: mycobilin b +is_a: CHEBI:25046 ! linear tetrapyrrole +is_a: CHEBI:33855 ! arenecarbaldehyde +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:137298 +name: biliverdin beta +is_a: CHEBI:25046 ! linear tetrapyrrole +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:137299 +name: biliverdin delta +is_a: CHEBI:25046 ! linear tetrapyrrole +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76507 ! marine metabolite + +[Term] +id: CHEBI:137300 +name: bacteriochlorophyllide e +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:137302 +name: 7,7-dihydroxybacteriochlorophyllide c +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:137305 +name: (9Z,12Z)-11-hydroxyoctadecadienoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:36328 ! HODE + +[Term] +id: CHEBI:137320 +name: (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate +is_a: CHEBI:137342 ! 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate + +[Term] +id: CHEBI:137321 +name: O-(alpha-D-mannosyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:137323 +name: O-(alpha-D-mannosyl)-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:137328 +name: epoxy(hydroxy)icosatrienoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion + +[Term] +id: CHEBI:137333 +name: anaerobilin +is_a: CHEBI:25046 ! linear tetrapyrrole +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:137336 +name: 8-amino-8-demethylriboflavin +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:38925 ! benzopteridine +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:137340 +name: 8-demethyl-8-(methylamino)riboflavin +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:38925 ! benzopteridine +is_a: CHEBI:50995 ! secondary amino compound + +[Term] +id: CHEBI:137342 +name: 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate +is_a: CHEBI:137328 ! epoxy(hydroxy)icosatrienoate + +[Term] +id: CHEBI:137343 +name: (R)-2-(phosphonomethyl)malic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:137344 +name: 7-HETE +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:137345 +name: 13-HETE +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:137351 +name: 5-hydroxymethyldeoxycytidine 5'-monophosphate residue +is_a: CHEBI:55367 ! deoxyribonucleotide residue + +[Term] +id: CHEBI:137353 +name: pyridinium-3,5-biscarboxylate mononucleotide(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137355 +name: 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137356 +name: S-[5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl]-L-cysteine(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137357 +name: S-[1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl]-L-cysteine(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137358 +name: 1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137370 +name: 20-hydroxyprostaglandin E2 +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26338 ! prostaglandins E +is_a: CHEBI:27136 ! triol + +[Term] +id: CHEBI:137372 +name: pyridinium-3,5-bisthiocarboxylate mononucleotide(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:84291 ! organic sulfur anion + +[Term] +id: CHEBI:137373 +name: Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137376 +name: long-chain fatty acyl-AMP +is_a: CHEBI:83621 ! fatty acyl-AMP + +[Term] +id: CHEBI:137385 +name: (24S)-hydroxycholesterol 24-sulfate +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:137386 +name: thymidine 5'-monophosphate(1-) residue +is_a: CHEBI:140284 ! deoxyribonucleotide residue(1-) + +[Term] +id: CHEBI:137387 +name: 4-O-methyl-dTMP(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137388 +name: (24S)-hydroxycholesterol 3-sulfate +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:36865 ! 24-hydroxy steroid + +[Term] +id: CHEBI:137389 +name: (24S)-hydroxycholesterol 3,24-disulfate +is_a: CHEBI:16158 ! steroid sulfate + +[Term] +id: CHEBI:137390 +name: 19-hydroxyleukotriene B4(1-) +is_a: CHEBI:62942 ! leukotriene anion + +[Term] +id: CHEBI:137391 +name: 18-hydroxyleukotriene B4(1-) +is_a: CHEBI:62942 ! leukotriene anion + +[Term] +id: CHEBI:137395 +name: pyridinium-3,5-biscarboxylic acid mononucleotide +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +is_a: CHEBI:36980 ! pyridine nucleotide + +[Term] +id: CHEBI:137396 +name: 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate +is_a: CHEBI:36980 ! pyridine nucleotide +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride + +[Term] +id: CHEBI:137397 +name: 1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate +is_a: CHEBI:36980 ! pyridine nucleotide +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride + +[Term] +id: CHEBI:137398 +name: pyridinium-3,5-bisthiocarboxylic acid mononucleotide +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +is_a: CHEBI:35737 ! monothiocarboxylic acid +is_a: CHEBI:36980 ! pyridine nucleotide + +[Term] +id: CHEBI:137399 +name: Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +is_a: CHEBI:35438 ! nickel coordination entity +is_a: CHEBI:36980 ! pyridine nucleotide + +[Term] +id: CHEBI:137403 +name: 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:137404 +name: 5-hydroxybenzimidazole +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:137405 +name: (S)-2-halocarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:137406 +name: (R)-2-halocarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:137407 +name: (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(2-) +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:137408 +name: (13R)-glycinylcystein-S-yl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-) +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:137409 +name: L-sorbose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137410 +name: (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-) +is_a: CHEBI:131864 ! docosanoid anion + +[Term] +id: CHEBI:137411 +name: 1-hexadecanoyl-2-[(11Z,14Z,17Z)-icosatrienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:77369 ! 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:137412 +name: cholesteryl (11Z,14Z,17Z)-icosatrienoate +is_a: CHEBI:138331 ! cholesteryl icosatrienoate + +[Term] +id: CHEBI:137419 +name: secondary ammonium ion +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:137429 +name: N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) + +[Term] +id: CHEBI:137455 +name: (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate + +[Term] +id: CHEBI:137456 +name: (S)-3,4-dihydroxy-2-oxobutanoic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:137457 +name: 9,10-epoxy-18-hydroxyoctadecanoate +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion + +[Term] +id: CHEBI:137458 +name: (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate +is_a: CHEBI:137457 ! 9,10-epoxy-18-hydroxyoctadecanoate + +[Term] +id: CHEBI:137459 +name: (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate +is_a: CHEBI:137457 ! 9,10-epoxy-18-hydroxyoctadecanoate + +[Term] +id: CHEBI:137460 +name: (9R,10S)-9,10-epoxyoctadecanoate +is_a: CHEBI:85195 ! 9,10-epoxyoctadecanoate + +[Term] +id: CHEBI:137461 +name: (9S,10R)-epoxyoctadecanoate +is_a: CHEBI:85195 ! 9,10-epoxyoctadecanoate + +[Term] +id: CHEBI:137463 +name: 2,6-O-bis(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:59466 ! phosphatidylinositol mannoside + +[Term] +id: CHEBI:137467 +name: 9,10-epoxy-18-hydroxy-(12Z)-octadecenoate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion + +[Term] +id: CHEBI:137469 +name: 12,13-epoxy-18-hydroxy-(9Z)-octadecenoate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion + +[Term] +id: CHEBI:137474 +name: 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoate +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:137475 +name: 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoate +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:137476 +name: 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoate +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:137480 +name: 4-saturated-(3S)-hydroxyacyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) + +[Term] +id: CHEBI:137483 +name: 2-O-(alpha-D-mannopyranosyl)-6-O-(6-acyl-alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:59466 ! phosphatidylinositol mannoside + +[Term] +id: CHEBI:137485 +name: (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:137486 +name: (R)-3,4-dihydroxy-2-oxobutanoic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:137487 +name: (2R,5S)-2,5-diammoniohexanoate +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:137488 +name: 16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:26763 ! steroid glucosiduronic acid + +[Term] +id: CHEBI:137489 +name: 16alpha-hydroxyestrone 16-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:137490 +name: 17alpha-estradiol 17-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:137491 +name: epitestosterone 17-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:137494 +name: 13(S)-HETE +is_a: CHEBI:137345 ! 13-HETE + +[Term] +id: CHEBI:137495 +name: 13(R)-HODE +is_a: CHEBI:72639 ! 13-HODE + +[Term] +id: CHEBI:137497 +name: 7-oxoresolvin D2(1-) +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:137498 +name: 16-oxoresolvin D2(1-) +is_a: CHEBI:131864 ! docosanoid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:137502 +name: (S)-2,4-dihydroxy-3-oxobutanoic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:137514 +name: TRPA1 channel agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:137522 +name: (+)-isoafricanol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:137523 +name: (-)-spiroviolene +is_a: CHEBI:33599 ! spiro compound +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35714 ! polycyclic olefin + +[Term] +id: CHEBI:137524 +name: CDP-D-ribulose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:137525 +name: CDP-D-ribose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:137526 +name: 20-hydroxyprostaglandin E1 +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26338 ! prostaglandins E +is_a: CHEBI:27136 ! triol +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:137528 +name: tsukubadiene +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:137529 +name: 20-hydroxyprostaglandin A1 +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26334 ! prostaglandins A + +[Term] +id: CHEBI:137530 +name: (2S,3R,6S,9S)-(-)-protoillud-7-ene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:137531 +name: (3S)-(+)-asterisca-2(9),6-diene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:137532 +name: 3-oxochenodeoxycholoyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs + +[Term] +id: CHEBI:137533 +name: (-)-alpha-amorphene +is_a: CHEBI:22976 ! cadinene +is_a: CHEBI:35714 ! polycyclic olefin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:137534 +name: 3-oxocholoyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs + +[Term] +id: CHEBI:137535 +name: (+)-corvol ether A +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37407 ! cyclic ether + +[Term] +id: CHEBI:137536 +name: (+)-corvol ether B +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37407 ! cyclic ether + +[Term] +id: CHEBI:137537 +name: 3-oxodeoxycholoyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs + +[Term] +id: CHEBI:137539 +name: 3-oxocholan-24-oyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs + +[Term] +id: CHEBI:137540 +name: N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:137541 +name: N-propanoyl-L-methionine +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:84121 ! L-methionine derivative + +[Term] +id: CHEBI:137542 +name: (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoate +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate + +[Term] +id: CHEBI:137543 +name: (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate +is_a: CHEBI:137544 ! bis(hydroperoxy)icosatetraenoate + +[Term] +id: CHEBI:137544 +name: bis(hydroperoxy)icosatetraenoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion + +[Term] +id: CHEBI:137545 +name: pivaloyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:137546 +name: (5S)-hydroxy-(15S)-hydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate +is_a: CHEBI:137548 ! hydroperoxy(hydroxy)icosatetraenoate + +[Term] +id: CHEBI:137547 +name: (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate +is_a: CHEBI:137548 ! hydroperoxy(hydroxy)icosatetraenoate + +[Term] +id: CHEBI:137548 +name: hydroperoxy(hydroxy)icosatetraenoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion + +[Term] +id: CHEBI:137550 +name: N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid + +[Term] +id: CHEBI:137553 +name: 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:52782 ! O-acyl carbohydrate +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:137558 +name: 2-O-[alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:137562 +name: (+)-eremophilene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin + +[Term] +id: CHEBI:137563 +name: (1R,4R,5S)-(-)-guaia-6,10(14)-diene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:137564 +name: (+)-(1(10)E,4E,6S,7R)-germacradien-6-ol +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:137565 +name: (3E,7E)-dolabella-3,7-dien-18-ol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:137566 +name: EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor + +[Term] +id: CHEBI:137567 +name: 11(S)-HETE(1-) +is_a: CHEBI:78833 ! 11-HETE(1-) + +[Term] +id: CHEBI:137568 +name: Cer(d34:0) +is_a: CHEBI:83273 ! N-acylsphingoid + +[Term] +id: CHEBI:137569 +name: Cer(d34:1) +is_a: CHEBI:83273 ! N-acylsphingoid + +[Term] +id: CHEBI:13757 +name: n-alk-2-enal +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:137570 +name: Cer(d38:1) +is_a: CHEBI:83273 ! N-acylsphingoid + +[Term] +id: CHEBI:137572 +name: Cer(d41:1) +is_a: CHEBI:83273 ! N-acylsphingoid + +[Term] +id: CHEBI:137574 +name: Cer(d44:0) +is_a: CHEBI:83273 ! N-acylsphingoid + +[Term] +id: CHEBI:137580 +name: 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl]-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:65213 ! 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:137581 +name: 2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:65213 ! 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:137582 +name: 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:137583 +name: 2-[(15R)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:137584 +name: 2-[(15S)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:137585 +name: 2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:26347 ! prostanoid +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:137586 +name: alkyl,acylglyceride +is_a: CHEBI:47778 ! glyceride +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:76578 ! disubstituted glycerol + +[Term] +id: CHEBI:13759 +name: alkylamine +is_a: CHEBI:32877 ! primary amine + +[Term] +id: CHEBI:137593 +name: (2E,4Z)-deca-2,4-dienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:85099 ! (2E,4Z)-dienoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:137594 +name: N-acetyl-alpha-D-muramate 1-phosphate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:137598 +name: 4-aminosalicylate(1-) +is_a: CHEBI:22494 ! aminobenzoate +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:137599 +name: long-chain 3-oxo-fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA + +[Term] +id: CHEBI:137600 +name: 2-hydroxy-7,8-dihydropteroate +is_a: CHEBI:24675 ! hydroxybenzoate +is_a: CHEBI:38796 ! pteroates + +[Term] +id: CHEBI:137626 +name: EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + +[Term] +id: CHEBI:137639 +name: long-chain (3S)-hydroxy fatty acyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA + +[Term] +id: CHEBI:137643 +name: (22E)-3-oxochola-4,22-dien-24-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:137650 +name: short-chain (3S)-hydroxy fatty acyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:137652 +name: N-acetyl-L-alpha-phenylglycine +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative + +[Term] +id: CHEBI:137661 +name: allocholate +is_a: CHEBI:36235 ! bile acid anion + +[Term] +id: CHEBI:137662 +name: allodeoxycholate +is_a: CHEBI:36235 ! bile acid anion + +[Term] +id: CHEBI:137663 +name: allocholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:137664 +name: allodeoxycholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:137667 +name: 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid + +[Term] +id: CHEBI:137668 +name: beta-muricholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:137669 +name: S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine +is_a: CHEBI:136428 ! N-hydroxyimidothioate +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:64987 ! S-conjugate + +[Term] +id: CHEBI:137672 +name: S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine +is_a: CHEBI:136428 ! N-hydroxyimidothioate +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:64987 ! S-conjugate + +[Term] +id: CHEBI:137673 +name: 3-sulfinatopropionate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:37785 ! organosulfinate oxoanion + +[Term] +id: CHEBI:137674 +name: benzyl thiol +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:29256 ! thiol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:137675 +name: thiobenzaldehyde +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:59786 ! thioaldehyde + +[Term] +id: CHEBI:137676 +name: Cys(IAN)-Gly +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:64987 ! S-conjugate + +[Term] +id: CHEBI:137677 +name: glycolaldehyde triphosphate +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:62894 ! organic triphosphate + +[Term] +id: CHEBI:137678 +name: nickel-sirohydrochlorin +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:35438 ! nickel coordination entity + +[Term] +id: CHEBI:137679 +name: ursodeoxycholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:137684 +name: Papio hamadryas metabolite +is_a: CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:137687 +name: (24S)-hydroxycholestanol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid + +[Term] +id: CHEBI:137688 +name: (25R)-26-hydroxycholestanol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid + +[Term] +id: CHEBI:13769 +name: aminohydroquinone +is_a: CHEBI:24646 ! hydroquinones + +[Term] +id: CHEBI:137696 +name: nickel-sirohydrochlorin a,c-diamide +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:35438 ! nickel coordination entity + +[Term] +id: CHEBI:137699 +name: 15,17(3)-seco-F430-17(3)-acid +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:35438 ! nickel coordination entity +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:137700 +name: 3-carboxy-3-hydroxypropanoyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA +is_a: CHEBI:65260 ! 3-hydroxyacyl-CoA + +[Term] +id: CHEBI:137701 +name: 17-epiestriol 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid + +[Term] +id: CHEBI:137702 +name: 17-epiestriol 17-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid + +[Term] +id: CHEBI:137706 +name: 17-epiestriol 16-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid + +[Term] +id: CHEBI:137720 +name: 16-epiestriol 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid + +[Term] +id: CHEBI:137723 +name: 16-epiestriol 16-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid + +[Term] +id: CHEBI:137724 +name: 7-oxotaurolithocholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:137731 +name: 5-formyl-dCMP(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137732 +name: 5-carboxy-dCMP(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137740 +name: UDP-3-O-[(3R)-hydroxyacyl]-alpha-D-glucosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:137748 +name: UDP-2-N,3-O-bis[(3R)-3-hydroxyacyl]-alpha-D-glucosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:137789 +name: 7,12-dioxolithocholate +is_a: CHEBI:131878 ! cholanic acid anion + +[Term] +id: CHEBI:137790 +name: chenodeoxycholic acid 24-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:52782 ! O-acyl carbohydrate +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137791 +name: cholic acid 24-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:52782 ! O-acyl carbohydrate +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137796 +name: 2,5,6-triamino-4-hydroxypyrimidine +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:38340 ! hydroxypyrimidine +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:23240 ! chromophore + +[Term] +id: CHEBI:137799 +name: deoxycholic acid 24-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:52782 ! O-acyl carbohydrate +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137807 +name: lithocholic acid 24-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:52782 ! O-acyl carbohydrate +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137811 +name: phenolic radical +is_a: CHEBI:36872 ! organic radical + +[Term] +id: CHEBI:137812 +name: hyodeoxycholic acid 24-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:52782 ! O-acyl carbohydrate +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137817 +name: hyocholic acid 24-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:52782 ! O-acyl carbohydrate +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137818 +name: 7-oxoglycolithocholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:57670 ! N-acylglycinate + +[Term] +id: CHEBI:137820 +name: 7-oxotaurodeoxycholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:137822 +name: hyodeoxycholic acid 6-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137824 +name: 7-oxoglycodeoxycholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:57670 ! N-acylglycinate + +[Term] +id: CHEBI:137829 +name: hyocholic acid 6-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:137837 +name: 2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36857 ! 2-hydroxy steroid + +[Term] +id: CHEBI:137852 +name: phosphatidylcholine 14:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:137856 +name: 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide] +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:137880 +name: ursocholate +is_a: CHEBI:131878 ! cholanic acid anion + +[Term] +id: CHEBI:137881 +name: 3,7,12-trioxo-5beta-cholan-24-oate +is_a: CHEBI:131878 ! cholanic acid anion + +[Term] +id: CHEBI:137882 +name: 7beta-hydroxy-3,12-dioxo-5beta-cholanate +is_a: CHEBI:131878 ! cholanic acid anion + +[Term] +id: CHEBI:137886 +name: 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanate +is_a: CHEBI:131878 ! cholanic acid anion + +[Term] +id: CHEBI:13790 +name: N-acetylarylamine +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:137907 +name: 2-hydroxy-17beta-estradiol 2-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:137911 +name: 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:62846 ! 4-hydroxy steroid + +[Term] +id: CHEBI:137917 +name: 4-hydroxy-17beta-estradiol 4-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:13792 +name: N-hydroxyarylamine +is_a: CHEBI:24709 ! hydroxylamines + +[Term] +id: CHEBI:137921 +name: lithocholic acid 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:137923 +name: 5'-end ribonucleotide(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137924 +name: 2-hydroxyestrone 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:36857 ! 2-hydroxy steroid + +[Term] +id: CHEBI:137927 +name: CDP-alpha-D-glucose(2-) +is_a: CHEBI:138068 ! ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) +is_a: CHEBI:58660 ! CDP-D-glucose(2-) + +[Term] +id: CHEBI:137931 +name: TDP-alpha-D-glucose(2-) +is_a: CHEBI:138068 ! ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:137932 +name: 5-dehydro-L-gluconic acid +is_a: CHEBI:24967 ! ketogluconic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:137933 +name: N(4)-methyl-dCMP(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137934 +name: polyprenal +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:137935 +name: S-polyprenyl-L-cysteine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:137941 +name: beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:137942 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminide(2-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:137945 +name: N-carbamoyl-L-methionine +is_a: CHEBI:51353 ! N-carbamoyl-L-alpha-amino acid +is_a: CHEBI:84121 ! L-methionine derivative + +[Term] +id: CHEBI:137948 +name: N-carbamoyl-D-methionine +is_a: CHEBI:17255 ! N-carbamoyl-D-alpha-amino acid +is_a: CHEBI:84122 ! D-methionine derivative + +[Term] +id: CHEBI:137949 +name: O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:137950 +name: O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:137952 +name: UDP-2,3-diacyl-alpha-D-glucosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:137954 +name: N(6)-[(E)-but-2-enoyl]-L-lysine residue +is_a: CHEBI:137967 ! N(6)-acyl-L-lysine residue + +[Term] +id: CHEBI:137955 +name: N(6)-butyryl-L-lysine residue +is_a: CHEBI:137967 ! N(6)-acyl-L-lysine residue + +[Term] +id: CHEBI:13796 +name: S-polyprenyl-L-cysteine +is_a: CHEBI:47913 ! S-hydrocarbyl-L-cysteine + +[Term] +id: CHEBI:137960 +name: 4-hydroxyestrone 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:62846 ! 4-hydroxy steroid + +[Term] +id: CHEBI:137961 +name: 4-hydroxyestrone 4-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:137965 +name: 4-methoxyestrone 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:137966 +name: 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:137967 +name: N(6)-acyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:137976 +name: S-acetyl-O-[2'-(5-phosphoribosyl)-3'-dephospho-CoA]-L-serine(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:137980 +name: metalloid atom +is_a: CHEBI:33250 ! atom + +[Term] +id: CHEBI:137981 +name: 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:137982 +name: tertiary ammonium ion +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:137983 +name: methylated tertiary amine +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:137984 +name: methylated secondary ammonium ion +is_a: CHEBI:137982 ! tertiary ammonium ion + +[Term] +id: CHEBI:137986 +name: (beta-Asp-Arg)n zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:137987 +name: 19-hydroxyprostaglandin I2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:137990 +name: (beta-Asp-Arg)n-Asp(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:137991 +name: beta-Asp-Arg zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion + +[Term] +id: CHEBI:137994 +name: (2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone +is_a: CHEBI:24129 ! furans +is_a: CHEBI:33823 ! enol +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:137995 +name: 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone +is_a: CHEBI:24129 ! furans +is_a: CHEBI:33823 ! enol +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:137996 +name: O-[S-(gamma-L-glutamyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:137997 +name: O-[S-4-(aminobutanoyl)pantetheine-4'-phosphoryl]serine zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:137998 +name: O-\{S-[4-(gamma-L-glutamylamino)butanoyl]pantetheine-4'-phosphoryl}serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:137999 +name: O-[S-4-(gamma-L-glutamylamino)-(2S)-2-hydroxybutanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:138000 +name: 3-(1-methylpyrrolidin-2-yl)pyridine +is_a: CHEBI:26416 ! pyridine alkaloid +is_a: CHEBI:26456 ! pyrrolidine alkaloid +is_a: CHEBI:46775 ! N-alkylpyrrolidine + +[Term] +id: CHEBI:138007 +name: N-acetyl-alpha-D-hexosamine 1-phosphate(2-) +is_a: CHEBI:58881 ! N-acetyl-D-hexosamine 1-phosphate(2-) + +[Term] +id: CHEBI:138011 +name: 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138015 +name: endocrine disruptor +is_a: CHEBI:51061 ! hormone receptor modulator + +[Term] +id: CHEBI:138019 +name: N(6)-propanoyl-L-lysine residue +is_a: CHEBI:137967 ! N(6)-acyl-L-lysine residue + +[Term] +id: CHEBI:138020 +name: alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:138021 +name: (3S)-3-hydroxy-L-histidine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:138024 +name: alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:138025 +name: N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:138026 +name: 5alpha-dihydrotestosterone sulfate +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:16158 ! steroid sulfate +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:138027 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:138029 +name: 14alpha-methyl steroid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:138031 +name: Delta(14) steroid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:138032 +name: (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate +is_a: CHEBI:131647 ! androstane sulfate +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:138034 +name: dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:138035 +name: S-mycothiol-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:138037 +name: 10-epi-juneol +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:62508 ! eudesmane sesquiterpenoid + +[Term] +id: CHEBI:138039 +name: (3E,7E)-dolathalia-3,7,11-triene +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138040 +name: 7-epi-alpha-eudesmol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:62508 ! eudesmane sesquiterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138041 +name: (+)-4-epi-cubebol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:138042 +name: tau-cadinol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:22975 ! cadinane sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138043 +name: (2E,6E)-hedycaryol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:68588 ! germacrane sesquiterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138044 +name: (2Z,6E)-hedycaryol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:68588 ! germacrane sesquiterpenoid + +[Term] +id: CHEBI:138045 +name: (-)-10-epi-cubebol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:138046 +name: sesterfisherol +is_a: CHEBI:134397 ! tertiary allylic alcohol +is_a: CHEBI:26660 ! sesterterpenoid +is_a: CHEBI:35294 ! carbopolycyclic compound + +[Term] +id: CHEBI:138047 +name: beta-thujene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:50030 ! thujene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138048 +name: stellata-2,6,19-triene +is_a: CHEBI:35192 ! sesterterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:138049 +name: guaia-4,6-diene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138050 +name: pseudolaratriene +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138051 +name: selina-4(15),7(11)-diene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138052 +name: (3S)-3,4-dihydroxy-L-proline residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:138053 +name: 5-methoxycarbonylmethoxyuridine(1-) residue +is_a: CHEBI:90675 ! ribonucleotide residue(1-) + +[Term] +id: CHEBI:138054 +name: 7-deaza-7-carbamidoylguanosine 5'-monophosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:138055 +name: 2,4,5-trihydroxyphenylacetic acid +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:138056 +name: 2,4,5-trihydroxyphenylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:138057 +name: N-terminal L-alanyl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138058 +name: N-terminal N-methyl-L-alanyl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138059 +name: N-terminal L-prolyl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138060 +name: N-terminal N-methyl-L-prolyl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138061 +name: N-terminal L-seryl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138062 +name: N-terminal N-methyl-L-seryl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138063 +name: coelenterazine h dioxetanone +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:38314 ! pyrazines +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:138067 +name: N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:138068 +name: ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:138075 +name: 5-formyl CMP(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138076 +name: 1,1'-dihydroxyneurosporene +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26878 ! tertiary alcohol + +[Term] +id: CHEBI:138077 +name: chloroxanthin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138078 +name: 5'-(N(2),N(7)-dimethyl 5'-triphosphoguanosine)-(purine ribonucleotide)(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138079 +name: 5'-(N(2),N(2),N(7)-trimethyl 5'-triphosphoguanosine)-(purine ribonucleotide)(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138087 +name: O-acyl-ADP-D-ribose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:138088 +name: long chain primary alcohol +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:138092 +name: 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:138093 +name: N-acyl-aromatic L-alpha-amino-acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:138094 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)ethanolamine +is_a: CHEBI:138092 ! 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine + +[Term] +id: CHEBI:138095 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine +is_a: CHEBI:138092 ! 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine + +[Term] +id: CHEBI:138096 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-arachidonoyl)ethanolamine +is_a: CHEBI:138092 ! 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine + +[Term] +id: CHEBI:138097 +name: 1-(1Z-octadecenyl)-sn-glycero-3-phosphate +is_a: CHEBI:73423 ! 1-(alk-1-enyl)-sn-glycero-3-phosphate + +[Term] +id: CHEBI:138098 +name: 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:65213 ! 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:138099 +name: 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:65213 ! 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:138100 +name: 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine +is_a: CHEBI:26347 ! prostanoid +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:61051 ! lipid hydroperoxide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138101 +name: 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26347 ! prostanoid +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138102 +name: 4-(ADP-D-ribosyl)-L-aspartyl(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138103 +name: inorganic acid +is_a: CHEBI:39141 ! Bronsted acid + +[Term] +id: CHEBI:138105 +name: (S)-6-acetamido-3-aminohexanoic acid +is_a: CHEBI:2164 ! 6-acetamido-3-aminohexanoic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138107 +name: (3S)-3-hydroxy-L-asparagine residue +is_a: CHEBI:141828 ! 3-hydroxy-L-asparagine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:138109 +name: alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:138110 +name: 16(S)-HETE +is_a: CHEBI:63994 ! 16-HETE +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138111 +name: (3S)-3-hydroxy-L-aspartate residue +is_a: CHEBI:17427 ! 3-hydroxy-L-aspartate residue + +[Term] +id: CHEBI:138112 +name: chondroitin 4',6'-disulfate anion +is_a: CHEBI:62196 ! polysaccharide acid oxoanion + +[Term] +id: CHEBI:138113 +name: O-adenyl-L-threonine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:138114 +name: O-guanylyl-L-tyrosine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:138121 +name: dermatan 4',6'-disulfate anion +is_a: CHEBI:62196 ! polysaccharide acid oxoanion + +[Term] +id: CHEBI:138130 +name: Delta(7)-sterol +is_a: CHEBI:15889 ! sterol + +[Term] +id: CHEBI:138131 +name: Delta(5),Delta(7)-sterol +is_a: CHEBI:15889 ! sterol + +[Term] +id: CHEBI:138135 +name: (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid +is_a: CHEBI:138146 ! 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:138138 +name: epoxy(hydroxy)icosatrienoic acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:61703 ! nonclassic icosanoid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:138139 +name: 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:138140 +name: 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:138141 +name: 17alpha-hydroxy-C21-steroid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:138145 +name: 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:71713 ! phosphatidylethanolamine 32:2 + +[Term] +id: CHEBI:138146 +name: 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid + +[Term] +id: CHEBI:138147 +name: 3'-end deoxyribonucleotide 3'-phosphate(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138148 +name: 3'-end deoxyribonucleotide(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138150 +name: D-tagatopyranose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138165 +name: (+)-(2S,3R,9R)-pristinol +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138166 +name: nezukol +is_a: CHEBI:138429 ! isopimarane diterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138167 +name: 5-hydroxy-alpha-gurjunene +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:138171 +name: pApA(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138175 +name: O-[S-(L-alpha-aminoacyl)pantetheine-4'-phosphoryl]serine zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:138176 +name: (2R,3S,4S)-leucoanthocyanidin +is_a: CHEBI:60835 ! leucoanthocyanidin + +[Term] +id: CHEBI:138177 +name: 4-unsubstituted 3-hydroxyanthocyanidin betaine +is_a: CHEBI:134087 ! 3-hydroxyanthocyanidin betaine + +[Term] +id: CHEBI:138178 +name: (4S)-2,3-dehydroflavan-3,4-diol(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:138188 +name: (2R,3R)-dihydroflavonol +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:48039 ! dihydroflavonols + +[Term] +id: CHEBI:138191 +name: 3'-end 3'-(N-acyl-L-alpha-aminoacyl)adenylyl(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138193 +name: (2R,5S)-2,5-diaminohexanoic acid +is_a: CHEBI:35987 ! diamino acid + +[Term] +id: CHEBI:138194 +name: 1,2-dihexanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:134298 ! phosphatidylcholine 12:0 +relationship: has_role CHEBI:35195 ! surfactant + +[Term] +id: CHEBI:138195 +name: 1,2-diheptanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:137852 ! phosphatidylcholine 14:0 +relationship: has_role CHEBI:27780 ! detergent + +[Term] +id: CHEBI:138196 +name: 19-hydroxyleukotriene B4 +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:27136 ! triol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:138197 +name: 1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:134299 ! phosphatidylcholine 13:0 +is_a: CHEBI:137403 ! 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:138198 +name: 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:134299 ! phosphatidylcholine 13:0 + +[Term] +id: CHEBI:138199 +name: 1-hexadecanoyl-2-heptanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:77369 ! 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:138200 +name: 1-heptanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:75279 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:138201 +name: 18-hydroxyleukotriene B4 +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:27136 ! triol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:138202 +name: (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:138206 +name: (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:138208 +name: carotenoid biosynthesis inhibitor +is_a: CHEBI:76932 ! pathway inhibitor + +[Term] +id: CHEBI:138209 +name: (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:47910 ! S-substituted L-cysteine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:138211 +name: 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:138212 +name: 1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:85564 ! phosphatidylcholine 24:0 + +[Term] +id: CHEBI:138216 +name: 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:138217 +name: 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:138218 +name: 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71718 ! phosphatidylethanolamine 34:0 zwitterion + +[Term] +id: CHEBI:138219 +name: ent-atiserene +is_a: CHEBI:33666 ! polycyclic hydrocarbon +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138220 +name: N-hexadecanoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:78085 ! N-hexadecanoylphosphatidylethanolamine(1-) + +[Term] +id: CHEBI:138221 +name: CDP-D-ribulose +is_a: CHEBI:20873 ! CDP-sugar +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:138222 +name: N-oleoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:137429 ! N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) + +[Term] +id: CHEBI:138223 +name: ent-copal-8-ol diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138224 +name: (13R)-epi-8,13-epoxylabd-14-ene +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:37407 ! cyclic ether +is_a: CHEBI:79084 ! tricyclic diterpenoid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:138225 +name: CDP-D-ribose +is_a: CHEBI:20873 ! CDP-sugar + +[Term] +id: CHEBI:138226 +name: beta-geranylfarnesene +is_a: CHEBI:35192 ! sesterterpene +is_a: CHEBI:48121 ! polyene +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138227 +name: beta-hexaprene +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:48121 ! polyene +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138228 +name: beta-heptaprene +is_a: CHEBI:48121 ! polyene +is_a: CHEBI:64804 ! sesquarterpene +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138229 +name: N-acetyl-alpha-D-muramic acid 1-phosphate +is_a: CHEBI:25432 ! muramic acids +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:138232 +name: peregrinol diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138233 +name: 9,13-epoxylabda-14-ene +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:37948 ! oxaspiro compound +is_a: CHEBI:79084 ! tricyclic diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138234 +name: (13R)-manoyl oxide +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:37407 ! cyclic ether +is_a: CHEBI:79084 ! tricyclic diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138238 +name: pyrimidine ribonucleoside 5'-monophosphate(2-) +is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) + +[Term] +id: CHEBI:138239 +name: N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine + +[Term] +id: CHEBI:138247 +name: cycloaraneosene +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:51959 ! organic tricyclic compound +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:138255 +name: (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid +is_a: CHEBI:133381 ! 9,10-epoxy-18-hydroxyoctadecanoic acid + +[Term] +id: CHEBI:138256 +name: N-(4-oxoglutaryl)-L-cysteinylglycine(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:138258 +name: (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid +is_a: CHEBI:133381 ! 9,10-epoxy-18-hydroxyoctadecanoic acid + +[Term] +id: CHEBI:138260 +name: (9R,10S)-9,10-epoxyoctadecanoic acid +is_a: CHEBI:85661 ! 9,10-epoxyoctadecanoic acid + +[Term] +id: CHEBI:138261 +name: very long-chain fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138262 +name: (9S,10R)-epoxyoctadecanoic acid +is_a: CHEBI:85661 ! 9,10-epoxyoctadecanoic acid + +[Term] +id: CHEBI:138265 +name: 9,10-epoxy-18-hydroxy-(12Z)-octadecenoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:61498 ! epoxy fatty acid + +[Term] +id: CHEBI:138266 +name: 2-heptanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:138267 +name: hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion + +[Term] +id: CHEBI:138268 +name: D-xylulose 1,5-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138269 +name: 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:138270 +name: 12,13-epoxy-18-hydroxy-(9Z)-octadecenoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:61498 ! epoxy fatty acid + +[Term] +id: CHEBI:138272 +name: 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid + +[Term] +id: CHEBI:138273 +name: 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid + +[Term] +id: CHEBI:138274 +name: 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid + +[Term] +id: CHEBI:138275 +name: oxidized Renilla luciferin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:138276 +name: 5'-end purine ribonucleotide 5'-diphosphate(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138278 +name: 5'-end GTP-ribonucleotide(5-) residue +is_a: CHEBI:141855 ! 5'-end NTP-ribonucleotide(5-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138279 +name: 7-oxoresolvin D2 +is_a: CHEBI:132120 ! resolvin +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:23824 ! diol +is_a: CHEBI:51689 ! enone +is_a: CHEBI:59644 ! oxo fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138280 +name: adenosine-5'-diphospho-5'-ribonucleotide(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138281 +name: 16-oxoresolvin D2 +is_a: CHEBI:132120 ! resolvin +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:23824 ! diol +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:59644 ! oxo fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138282 +name: 5'-end ribonucleotide(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138284 +name: 5'-end ribonucleoside residue +is_a: CHEBI:50320 ! nucleoside residue + +[Term] +id: CHEBI:138286 +name: N-terminal N,N-dimethyl-L-alanyl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138288 +name: 5'-end purine ribonucleotide 5'-triphosphate(4-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138290 +name: 2-hydroxyoctanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138291 +name: (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid +is_a: CHEBI:138293 ! bis(hydroperoxy)icosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:138292 +name: 2-hydroxydecanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138293 +name: bis(hydroperoxy)icosatetraenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:138294 +name: N(epsilon)-(5'-guanylyl)-L-lysine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:138295 +name: (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid + +[Term] +id: CHEBI:138296 +name: 2-hydroxyisovaleryl-CoA(4-) +is_a: CHEBI:58783 ! 2-hydroxy-3-methylacyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138297 +name: 2-hydroxyheptadecanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138298 +name: 2-hydroxyicosanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138299 +name: 2-hydroxydodecanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138300 +name: 2-hydroxytetradecanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138301 +name: labda-7,13(16),14-triene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:138302 +name: (12E)-labda-8(17),12,14-triene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:138303 +name: alpha-onocerin +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138305 +name: (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3beta-ol +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138306 +name: aromatic (S)-hydroxynitrile +is_a: CHEBI:23437 ! cyanohydrin +is_a: CHEBI:33655 ! aromatic compound + +[Term] +id: CHEBI:138307 +name: (3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene +is_a: CHEBI:26747 ! squalene triterpenoid +is_a: CHEBI:32955 ! epoxide +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138309 +name: C-terminal L-alpha-amino-acid-L-tyrosinate residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:138310 +name: (-)-kolavenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138311 +name: (+)-kolavenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138313 +name: (+)-kolavelool +is_a: CHEBI:134397 ! tertiary allylic alcohol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:138314 +name: S-allylsulfenic acid +is_a: CHEBI:22326 ! S-alkylsulfenic acid +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138315 +name: N-terminal N,N,N-trimethyl-L-alanyl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138316 +name: N-terminal N,N-dimethyl-L-seryl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138317 +name: N-terminal N,N,N-trimethyl-L-seryl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138318 +name: N-terminal N,N-dimethyl-L-prolyl-L-prolyl-L-lysyl(2+) residue +is_a: CHEBI:134400 ! cationic peptidyl group + +[Term] +id: CHEBI:138319 +name: monoalk-1-enyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine + +[Term] +id: CHEBI:138320 +name: monoalkyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine + +[Term] +id: CHEBI:138321 +name: O-[S-(4-hydroxybenzoyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:138325 +name: (5S)-hydroxy-(15S)-hydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:138327 ! hydroperoxy(hydroxy)icosatetraenoic acid + +[Term] +id: CHEBI:138326 +name: (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:138327 ! hydroperoxy(hydroxy)icosatetraenoic acid +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:138327 +name: hydroperoxy(hydroxy)icosatetraenoic acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:64009 ! hydroperoxy fatty acid +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:138328 +name: L-firefly luciferyl-CoA(3-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:138329 +name: ent-Photinus luciferin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:138330 +name: pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:84291 ! organic sulfur anion + +[Term] +id: CHEBI:138331 +name: cholesteryl icosatrienoate +is_a: CHEBI:17002 ! cholesteryl ester + +[Term] +id: CHEBI:138332 +name: 11(S)-HETE +is_a: CHEBI:72606 ! 11-HETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:138334 +name: N(tele)-(N(7)-methylguanosine 5'-phosphonato)-L-histidine zwitterion residue +is_a: CHEBI:33710 ! alpha-amino-acid residue +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:138339 +name: 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl]-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:28936 ! 2-acyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:138340 +name: (2R,3S)-2-alkyl-3-hydroxyalkanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:138341 +name: (R)-2-alkyl-3-oxoalkanoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:138346 +name: triacylglycerol 54:9 +is_a: CHEBI:17855 ! triglyceride + +[Term] +id: CHEBI:138347 +name: triacylglycerol 54:0 +is_a: CHEBI:17855 ! triglyceride + +[Term] +id: CHEBI:138358 +name: 4-sulfanylbutanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:138359 +name: 4,4'-disulfanyldibutanoate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:138361 +name: 2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:26347 ! prostanoid +is_a: CHEBI:28936 ! 2-acyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138362 +name: (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:82207 ! (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one + +[Term] +id: CHEBI:138363 +name: (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:82204 ! (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one + +[Term] +id: CHEBI:138365 +name: allo-bile acid +is_a: CHEBI:138366 ! bile acids +is_a: CHEBI:36246 ! 5alpha-cholanic acids + +[Term] +id: CHEBI:138366 +name: bile acids +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35350 ! hydroxy steroid +is_a: CHEBI:36078 ! cholanoid + +[Term] +id: CHEBI:138369 +name: [4)-beta-D-GlcA-(1->4)-beta-D-GlcA2(or 3)Ac-(1->4)-beta-D-Glc-(1->4)-[(R)-4,6-CH3(COO(-))C-beta-D-Gal3(or 2)OHb-(1->3)-beta-D-Glc-(1->4)-beta-D-Glc-(1->4)-beta-D-Glc-(1->6)]-alpha-DGlc2(or 3)Ac-(1->]n +is_a: CHEBI:62196 ! polysaccharide acid oxoanion + +[Term] +id: CHEBI:138370 +name: N(6)-(gamma-glutamyl)lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:138371 +name: beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63567 ! tetrasaccharide derivative + +[Term] +id: CHEBI:138372 +name: beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63566 ! pentasaccharide derivative + +[Term] +id: CHEBI:138373 +name: 4-methylpent-3-en-1-yl acetate +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:138374 +name: N-(12-hydroxyjasmonyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:138375 +name: (1E)-2,6-dimethylhepta-1,5-dien-1-yl formate +is_a: CHEBI:52343 ! formate ester +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:138376 +name: allocholoyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:138377 +name: allodeoxycholoyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:138378 +name: beta-muricholoyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs + +[Term] +id: CHEBI:138379 +name: ursodeoxycholoyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs + +[Term] +id: CHEBI:138383 +name: (4S,7R)-7-isopropyl-4-methyloxepan-2-one +is_a: CHEBI:50243 ! 7-isopropyl-4-methyloxepan-2-one + +[Term] +id: CHEBI:138384 +name: 7-oxotaurolithocholic acid +is_a: CHEBI:23219 ! bile acid taurine conjugate +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:47789 ! 7-oxo steroid + +[Term] +id: CHEBI:138385 +name: N(omega)-(2'-phospho-ADP-D-ribosyl)-L-arginine(3-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:138386 +name: TDP-alpha-D-glucose +is_a: CHEBI:22080 ! TDP-sugar + +[Term] +id: CHEBI:138388 +name: 4-methylpent-3-en-1-ol +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:15734 ! primary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138389 +name: 7,12-dioxolithocholic acid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:47789 ! 7-oxo steroid +is_a: CHEBI:48070 ! 12-oxo steroid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138390 +name: EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + +[Term] +id: CHEBI:138391 +name: 7-oxoglycolithocholic acid +is_a: CHEBI:36255 ! bile acid glycine conjugate +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:47789 ! 7-oxo steroid + +[Term] +id: CHEBI:138393 +name: 7-oxotaurodeoxycholic acid +is_a: CHEBI:23219 ! bile acid taurine conjugate +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:47789 ! 7-oxo steroid + +[Term] +id: CHEBI:138394 +name: 7-oxoglycodeoxycholic acid +is_a: CHEBI:36255 ! bile acid glycine conjugate +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:47789 ! 7-oxo steroid + +[Term] +id: CHEBI:138396 +name: OPC8-CoA (4-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:138397 +name: octahydronaphthalenes +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:138398 +name: (15Z)-12-oxophyto-10,15-dienoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138399 +name: 7beta-hydroxy-3,12-dioxo-5beta-cholanic acid +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid +is_a: CHEBI:35349 ! 7beta-hydroxy steroid +is_a: CHEBI:48070 ! 12-oxo steroid + +[Term] +id: CHEBI:138400 +name: 4-sulfanylbutanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:29256 ! thiol + +[Term] +id: CHEBI:138401 +name: 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid +is_a: CHEBI:35349 ! 7beta-hydroxy steroid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:48070 ! 12-oxo steroid + +[Term] +id: CHEBI:138402 +name: 4,4'-disulfanyldibutanoic acid +is_a: CHEBI:35489 ! organic disulfide +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:138403 +name: O-[S-(2E,9Z)-hexadecadienoylpantetheine-4'-phosphoryl]-L-serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue + +[Term] +id: CHEBI:138404 +name: (E)-hex-4-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138405 +name: O-(S-(7Z)-tetradecenoylpantetheine-4'-phosphoryl)-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:138406 +name: O-\{S-[(9Z)-3-oxohexadecenoylpantetheine]-4'-phosphoryl}-L-serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue + +[Term] +id: CHEBI:138407 +name: O-[S-(3R)-hydroxy-(9Z)-hexadecenoylpantetheine-4'-phosphoryl]-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:138429 +name: isopimarane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:138430 +name: (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:138431 +name: (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138432 +name: 6-\{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:138433 +name: (9S,13S)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138434 +name: 6-\{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:35744 ! carbocyclic fatty acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:138436 +name: hexadecanoyl phosphate(2-) +is_a: CHEBI:59918 ! acyl monophosphate(2-) + +[Term] +id: CHEBI:138437 +name: (S)-3-hydroxytetradecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:138439 +name: [alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138440 +name: (3R,4R)-3-[(1S)-1-hydroxyalkyl]-4-(hydroxymethyl)oxolan-2-one +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:138441 +name: (3R,4R)-3-acyl-4-(hydroxymethyl)oxolan-2-one +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:22950 ! butan-4-olide + +[Term] +id: CHEBI:138442 +name: O(3)-(beta-D-GlcA-(1->3)-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:138443 +name: O(3)-(beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:138444 +name: O(3)-(beta-D-GlcA-(1->3)-poly[beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)]-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine polyanionic residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:138445 +name: O(3)-(poly[beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)]-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine polyanionic residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:138461 +name: (3R)-3-hydroxy-2,3-dihydrotabersoninium +is_a: CHEBI:60521 ! indole alkaloid cation + +[Term] +id: CHEBI:138462 +name: (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium +is_a: CHEBI:60521 ! indole alkaloid cation + +[Term] +id: CHEBI:138463 +name: N-(12-oxojasmonyl)-L-alpha-amino acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:138464 +name: N-(12-hydroxy-12-oxojasmonyl)-L-alpha-amino acid dianion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:138473 +name: N(2)-[(3R)-3-(2-saturated-acyloxy)acyl]-L-ornithine zwitterion +is_a: CHEBI:140663 ! N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion + +[Term] +id: CHEBI:138478 +name: N(5)-methyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:138480 +name: N(5),N(5)-dimethyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:138481 +name: N(5),N(5),N(5)-trimethyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine betaine +is_a: CHEBI:22860 ! amino-acid betaine + +[Term] +id: CHEBI:138482 +name: N(2)-[(3R)-hydroxy-acyl]-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:138483 +name: cis-3,4-dialkyloxetan-2-one +is_a: CHEBI:38784 ! oxetanes +is_a: CHEBI:49043 ! beta-lactone + +[Term] +id: CHEBI:13850 +name: apoprotein +is_a: CHEBI:38560 ! simple protein +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:138518 +name: dialkyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138532 +name: lysophosphatidylethanolamine 17:0 +is_a: CHEBI:64574 ! lysophosphatidylethanolamine + +[Term] +id: CHEBI:138538 +name: O-\{S-[3-oxo-(11Z)-octadecenoyl]pantetheine-4'-phosphoryl}-L-serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue + +[Term] +id: CHEBI:138558 +name: (3E,5Z)-dodecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:85110 ! (3E,5Z)-dienoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138560 +name: 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole +is_a: CHEBI:22512 ! aminoimidazole +is_a: CHEBI:37292 ! 1-(phosphoribosyl)imidazole +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138569 +name: (3E,5Z)-dodecadienoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:138582 +name: 19-hydroxyprostaglandin I2 +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26345 ! prostaglandins I +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138587 +name: (R)-3-hydroxypentanoyl-CoA(4-) +is_a: CHEBI:138609 ! short-chain (R)-3-hydroxy fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138588 +name: (R)-3-hydroxypentanoate +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:85634 ! (3R)-3-hydroxy fatty acid anion + +[Term] +id: CHEBI:138589 +name: pneumocysterol +is_a: CHEBI:138029 ! 14alpha-methyl steroid +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:138595 +name: O-phosphocholine-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:138596 +name: (4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:82207 ! (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one + +[Term] +id: CHEBI:138597 +name: (4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:82204 ! (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one + +[Term] +id: CHEBI:138599 +name: 4,4'-diapolycopen-4-al +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:138600 +name: 4,4'-diapolycopen-4-oate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:138603 +name: (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138604 +name: [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2-) +is_a: CHEBI:138603 ! (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2-) + +[Term] +id: CHEBI:138605 +name: [(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-) +is_a: CHEBI:138621 ! [(3S)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) + +[Term] +id: CHEBI:138607 +name: (S)-3-hydroxypentanoyl-CoA(4-) +is_a: CHEBI:136760 ! short-chain (3S)-hydroxy fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138608 +name: (S)-3-hydroxypentanoate +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion + +[Term] +id: CHEBI:138609 +name: short-chain (R)-3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) + +[Term] +id: CHEBI:138610 +name: O-[S-(2E)-isoheptenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue + +[Term] +id: CHEBI:138611 +name: O-[S-(isoheptanoyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:138619 +name: D-alanyl-AMP zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:13862 +name: asparagusate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:39192 ! dithiolanes + +[Term] +id: CHEBI:138620 +name: O-[S-(D-alanyl)pantetheine-4'-phosphoryl]-L-serine zwitterionic residue +is_a: CHEBI:138175 ! O-[S-(L-alpha-aminoacyl)pantetheine-4'-phosphoryl]serine zwitterionic residue + +[Term] +id: CHEBI:138621 +name: [(3S)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138622 +name: O-(S-L-prolylpantetheine-4'-phosphoryl)serine zwitterionic residue +is_a: CHEBI:138175 ! O-[S-(L-alpha-aminoacyl)pantetheine-4'-phosphoryl]serine zwitterionic residue + +[Term] +id: CHEBI:138623 +name: O-[S-(pyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:138625 +name: (+)-jasmonic acid anion +is_a: CHEBI:136184 ! jasmonic acid anion + +[Term] +id: CHEBI:138626 +name: N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate +is_a: CHEBI:136183 ! N-jasmonyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:138627 +name: N-[(3R)-jasmonyl]-L-isoleucinate +is_a: CHEBI:136183 ! N-jasmonyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:138628 +name: 2-hydroxybutanoyl-CoA(4-) +is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138630 +name: 2-hydroxyhexanoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138631 +name: heptadecanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +is_a: CHEBI:17176 ! long-chain fatty aldehyde +is_a: CHEBI:84587 ! 2,3-saturated fatty aldehyde +relationship: has_role CHEBI:76498 ! coral metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138632 +name: 2-hydroxy-3-methylundecanoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138633 +name: 2-hydroxy-3-methylnonanoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138634 +name: 3-methylnonanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138635 +name: (R)-2-hydroxyhexadecanal +is_a: CHEBI:50626 ! 2-hydroxyhexadecanal + +[Term] +id: CHEBI:138636 +name: 2-hydroxy-3-methyldodecanoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138637 +name: 3-methyldodecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138651 +name: O-(S-fatty acylpantetheine-4'-phosphoryl)-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:138654 +name: (R)-2-hydroxyhexadecanoyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:138656 +name: rhizathalene A +is_a: CHEBI:33599 ! spiro compound +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:138657 +name: 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside +is_a: CHEBI:16326 ! alpha-D-hexose 1-phosphate +is_a: CHEBI:27535 ! alpha-D-mannoside +is_a: CHEBI:37549 ! glycoside phosphate + +[Term] +id: CHEBI:138658 +name: dilinoleoylglycerol +is_a: CHEBI:18035 ! diglyceride +is_a: CHEBI:51307 ! diester + +[Term] +id: CHEBI:138660 +name: dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:138661 +name: N-hexadecanoyl-O-(1-octadecanoyl-2-oleoyl-sn-glycero-3-phospho)-L-serine(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:138662 +name: N-hexadecanoyl-O-(1-octadecanoyl-sn-glycero-3-phospho)-L-serine(2-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:138663 +name: N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:140451 ! N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:138664 +name: N-(omega-hydroxytriacontanoyl)sphingosine +is_a: CHEBI:52639 ! N-acylsphingosine + +[Term] +id: CHEBI:138675 +name: gas molecular entity +is_a: CHEBI:33579 ! main group molecular entity + +[Term] +id: CHEBI:138676 +name: 11-cis-retinyl tetradecanoate +is_a: CHEBI:16179 ! retinyl ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:138691 +name: 9-cis-retinyl tetradecanoate +is_a: CHEBI:16179 ! retinyl ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:1387 +name: 3,4-dihydroxyphenylethyleneglycol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:33573 ! tetrol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:138704 +name: 13-cis-retinyl tetradecanoate +is_a: CHEBI:16179 ! retinyl ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:138718 +name: all-trans-retinyl tetradecanoate +is_a: CHEBI:63410 ! all-trans-retinyl ester +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138721 +name: tetradecyl tetradecanoate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:138722 +name: 13-cis-retinyl hexadecanoate +is_a: CHEBI:15040 ! retinyl palmitate + +[Term] +id: CHEBI:138723 +name: 1-oleoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) + +[Term] +id: CHEBI:138724 +name: all-trans-retinyl heptanoate +is_a: CHEBI:63410 ! all-trans-retinyl ester + +[Term] +id: CHEBI:138726 +name: 3'-unsubstituted flavone +is_a: CHEBI:24043 ! flavones + +[Term] +id: CHEBI:138730 +name: 3'-methoxyflavones +is_a: CHEBI:25241 ! methoxyflavone + +[Term] +id: CHEBI:138731 +name: 5'-hydroxy-3'-methoxyflavone +is_a: CHEBI:138730 ! 3'-methoxyflavones +is_a: CHEBI:71968 ! hydroxyflavonoid + +[Term] +id: CHEBI:138732 +name: 3',5'-dimethoxyflavone +is_a: CHEBI:138730 ! 3'-methoxyflavones +is_a: CHEBI:23798 ! dimethoxyflavone + +[Term] +id: CHEBI:138733 +name: alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:138734 +name: 1-[(9Z)-octadecenyl]monooleoylglycerol +is_a: CHEBI:76582 ! monoalkylmonoacylglycerol + +[Term] +id: CHEBI:138735 +name: 1-[(9Z)-octadecenyl]-2,3-dioleoylglycerol +is_a: CHEBI:36727 ! 1-alkyl-2,3-diacylglycerol + +[Term] +id: CHEBI:138744 +name: 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:26347 ! prostanoid +is_a: CHEBI:28936 ! 2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61051 ! lipid hydroperoxide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138745 +name: 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26347 ! prostanoid +is_a: CHEBI:28936 ! 2-acyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138792 +name: 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:138801 +name: D-tagatopyranose 1-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate + +[Term] +id: CHEBI:138803 +name: archaeosine 5'-phosphate zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:138807 +name: ent-copal-8-ol diphosphate +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:36772 ! diterpenyl phosphate + +[Term] +id: CHEBI:138808 +name: CDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) +is_a: CHEBI:58166 ! CDP-4-dehydro-6-deoxy-D-glucose(2-) + +[Term] +id: CHEBI:138809 +name: (3R)-3-hydroxy-4-oxobutanoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:71944 ! aldehydic acid anion + +[Term] +id: CHEBI:138842 +name: 3alpha-hydroxy bile acid CoA thioester(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:138843 +name: 3-oxo bile acid CoA thioester(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:138844 +name: 2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate +is_a: CHEBI:52564 ! 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole + +[Term] +id: CHEBI:138881 +name: beta-D-fructofuranose 1-phosphate(2-) +is_a: CHEBI:58674 ! D-fructofuranose 1-phosphate(2-) + +[Term] +id: CHEBI:138888 +name: (R)-3-hydroxy-4-oxobutanoic acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:50413 ! hydroxyaldehyde + +[Term] +id: CHEBI:138890 +name: peregrinol diphosphate +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:36772 ! diterpenyl phosphate + +[Term] +id: CHEBI:138893 +name: Man-1-2-Ins-1-P-Cer(d18:0)(1-) +is_a: CHEBI:139065 ! mannosylinositol-1-phosphodihydroceramide(1-) + +[Term] +id: CHEBI:138897 +name: 3',5'-unsubstituted flavanone +is_a: CHEBI:28863 ! flavanones + +[Term] +id: CHEBI:138919 +name: meso-zeaxanthin +is_a: CHEBI:23045 ! carotenol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:138922 +name: 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:138923 +name: 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:138926 +name: 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:138929 +name: N-hexadecanoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:78929 ! N-hexadecanoylphosphatidylethanolamine + +[Term] +id: CHEBI:138930 +name: N-oleoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:138239 ! N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:138934 +name: N-(4-oxoglutaryl)-L-cysteinylglycine +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:138936 +name: N(6)-hexadecanoyl-L-lysine residue +is_a: CHEBI:137967 ! N(6)-acyl-L-lysine residue + +[Term] +id: CHEBI:138937 +name: D-xylulose 1,5-bisphosphate +is_a: CHEBI:27355 ! xylulose phosphate +relationship: has_role CHEBI:138938 ! EC 4.1.1.39 (ribulose-bisphosphate carboxylase) inhibitor + +[Term] +id: CHEBI:138938 +name: EC 4.1.1.39 (ribulose-bisphosphate carboxylase) inhibitor +is_a: CHEBI:76906 ! EC 4.1.1.* (carboxy-lyase) inhibitor + +[Term] +id: CHEBI:138940 +name: 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:71554 ! PPARgamma agonist + +[Term] +id: CHEBI:138941 +name: 2-hydroxyoctanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:138942 +name: 11-hydroxyferruginol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:64419 ! meroterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138943 +name: carnosate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:138944 +name: salviol +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:64419 ! meroterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138945 +name: maniladiol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138946 +name: cochalate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:138948 +name: (4S)-2,3-dehydroleucocyanidin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:138950 +name: (4S)-2,3-dehydroleucopelargonidin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:138951 +name: 3'-hydroxy-5'-unsubstituted flavanone +is_a: CHEBI:48024 ! 3'-hydroxyflavanones + +[Term] +id: CHEBI:138955 +name: daturadiol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138959 +name: 2-hydroxydecanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:138961 +name: sugiol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36130 ! cyclic terpene ketone +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:64419 ! meroterpenoid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138962 +name: 11-hydroxysugiol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:36130 ! cyclic terpene ketone +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:64419 ! meroterpenoid +relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor +relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138963 +name: 11,20-dihydroxysugiol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:36130 ! cyclic terpene ketone +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:64419 ! meroterpenoid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138964 +name: 2-hydroxyisovaleryl-CoA +is_a: CHEBI:49173 ! 2-hydroxy-3-methylacyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:138965 +name: 11,20-dihydroxyferruginol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:64419 ! meroterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138966 +name: 9beta-pimara-7,15-diene-3beta-ol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:49192 ! pimarane diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138967 +name: ent-cassa-12,15-dien-2beta-ol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138968 +name: ent-cassa-12,15-dien-2beta,3beta-diol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138969 +name: ent-cassa-12,15-dien-2-one +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:36130 ! cyclic terpene ketone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138970 +name: ent-3beta-hydroxycassa-12,15-dien-2-one +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36130 ! cyclic terpene ketone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138971 +name: drimendiol +is_a: CHEBI:134361 ! allylic alcohol +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:26658 ! sesquiterpenoid +relationship: has_role CHEBI:138977 ! quorum sensing inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138972 +name: 11alpha-hydroxycucurbitadienol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138973 +name: 11-oxocucurbitadienol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36130 ! cyclic terpene ketone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138974 +name: mogrol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36853 ! hydroxy seco-steroid +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:138975 +name: mogroside IE +is_a: CHEBI:139477 ! mogroside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:138977 +name: quorum sensing inhibitor +is_a: CHEBI:35222 ! inhibitor + +[Term] +id: CHEBI:138979 +name: hemisuccinate +is_a: CHEBI:36181 ! succinate ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:138980 +name: AZD1979(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:139155 ! melanin-concentrating hormone receptor antagonist + +[Term] +id: CHEBI:139019 +name: AZD1979 oxetane hydrolysis product +is_a: CHEBI:140326 ! tertiary carboxamide +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:46685 ! oxadiazole +is_a: CHEBI:46959 ! N-acylazetidine + +[Term] +id: CHEBI:139020 +name: taurino group +is_a: CHEBI:33249 ! organyl group + +[Term] +id: CHEBI:139021 +name: cis-alkene +is_a: CHEBI:32878 ! alkene + +[Term] +id: CHEBI:139022 +name: 2-hydroxyheptadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:139023 +name: 2-hydroxyicosanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:139024 +name: 2-hydroxydodecanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139025 +name: 2-hydroxytetradecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:139032 +name: nerylneryl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139033 +name: (-)-kolavenyl diphosphate +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:36772 ! diterpenyl phosphate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:139034 +name: (+)-kolavenyl diphosphate +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:36772 ! diterpenyl phosphate + +[Term] +id: CHEBI:139035 +name: L-firefly luciferyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:139036 +name: ent-Photinus luciferin +is_a: CHEBI:37947 ! benzothiazoles +is_a: CHEBI:48652 ! 1,3-thiazolemonocarboxylic acid +is_a: CHEBI:83991 ! imidothioate +relationship: has_role CHEBI:25078 ! luciferin +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:139048 +name: dihydroceramide +is_a: CHEBI:83273 ! N-acylsphingoid + +[Term] +id: CHEBI:139051 +name: phytoceramide +is_a: CHEBI:83273 ! N-acylsphingoid +is_a: CHEBI:84403 ! phytoceramides + +[Term] +id: CHEBI:139052 +name: inositol-1-phosphodihydroceramide(1-) +is_a: CHEBI:64916 ! inositol phosphoceramide(1-) + +[Term] +id: CHEBI:139053 +name: inositol-1-phosphophytoceramide(1-) +is_a: CHEBI:64916 ! inositol phosphoceramide(1-) + +[Term] +id: CHEBI:139057 +name: pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +is_a: CHEBI:35737 ! monothiocarboxylic acid +is_a: CHEBI:36980 ! pyridine nucleotide + +[Term] +id: CHEBI:139064 +name: (15Z)-12-oxophyto-10,15-dienoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61903 ! oxo-fatty acyl-CoA + +[Term] +id: CHEBI:139065 +name: mannosylinositol-1-phosphodihydroceramide(1-) +is_a: CHEBI:64997 ! mannosylinositol phosphorylceramide(1-) + +[Term] +id: CHEBI:139066 +name: mannosylinositol-1-phosphophytoceramide(1-) +is_a: CHEBI:64991 ! mannosylinositol phosphophytoceramide(1-) + +[Term] +id: CHEBI:139068 +name: inositol phosphomannosylinositol-1-phosphophytoceramide(2-) +is_a: CHEBI:64992 ! inositol phosphomannosylinositol phosphophytoceramide(2-) + +[Term] +id: CHEBI:139069 +name: 4-hydroxytryptamine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:139070 +name: norbaeocystin(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139071 +name: baeocystin(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139072 +name: psilocybin(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:35499 ! hallucinogen +relationship: has_role CHEBI:35941 ! serotonergic agonist +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:139073 +name: N(5)-phospho-L-glutamine(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:60345 ! organic phosphoramidate anion + +[Term] +id: CHEBI:139083 +name: (E)-hex-4-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139085 +name: (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:35744 ! carbocyclic fatty acid +is_a: CHEBI:36140 ! cyclopentanones +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:139089 +name: N(6)-methyl-2'-deoxyadenosine 5'-monophosphate residue +is_a: CHEBI:65305 ! purine deoxyribonucleotide residue + +[Term] +id: CHEBI:139090 +name: inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine(2-) +is_a: CHEBI:139068 ! inositol phosphomannosylinositol-1-phosphophytoceramide(2-) + +[Term] +id: CHEBI:139094 +name: 2'-deoxyribose 5'-monophosphate residue +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:139095 +name: 2'-deoxyribose 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:139104 +name: (R,R)-3-(3-hydroxydecanoyloxy)decanoate +is_a: CHEBI:62239 ! 3-hydroxydecanoyl-3-hydroxydecanoate + +[Term] +id: CHEBI:139105 +name: (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61903 ! oxo-fatty acyl-CoA + +[Term] +id: CHEBI:139107 +name: (9S,13S)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61903 ! oxo-fatty acyl-CoA + +[Term] +id: CHEBI:139108 +name: hexadecanoyl phosphate +is_a: CHEBI:16826 ! acyl monophosphate + +[Term] +id: CHEBI:139110 +name: (R,R)-3-(3-hydroxydecanoyloxy)decanoic acid +is_a: CHEBI:62406 ! 3-hydroxydecanoyl-3-hydroxydecanoic acid + +[Term] +id: CHEBI:139114 +name: carotenoid psi-end group +is_a: CHEBI:23044 ! carotenoid + +[Term] +id: CHEBI:139115 +name: carotenoid epsilon-end group +is_a: CHEBI:23044 ! carotenoid + +[Term] +id: CHEBI:139120 +name: carotenoid beta-end group +is_a: CHEBI:23044 ! carotenoid + +[Term] +id: CHEBI:139121 +name: (3E,5Z)-dodecadienoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +is_a: CHEBI:85559 ! (3E,5Z)-dienoyl-CoA + +[Term] +id: CHEBI:139122 +name: (3R)-3-hydroxy-2,3-dihydrotabersonine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38481 ! alkaloid ester +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:139124 +name: (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38481 ! alkaloid ester +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:139126 +name: C-terminal S-carbamoyl-L-cysteinate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:139127 +name: C-terminal S-cyano-L-cysteinate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:139129 +name: carotenoid phi-end group +is_a: CHEBI:23044 ! carotenoid + +[Term] +id: CHEBI:139130 +name: carotenoid chi-end group +is_a: CHEBI:23044 ! carotenoid + +[Term] +id: CHEBI:139145 +name: 4-O-(\{poly[2-N-acetyl-alpha-D-glucosaminyl-1-D-ribitylphosphonato]}-di\{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139146 +name: 4-O-(\{poly[2-N-acetyl-beta-D-glucosaminyl-1-D-ribitylphosphonato]}-di\{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139147 +name: mannose-1D-myo-inositol 1-phosphate(2-) +is_a: CHEBI:67140 ! phosphate monoester dianion + +[Term] +id: CHEBI:139148 +name: mannose-(1D-myo-inositol 1-phosphate)2(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139149 +name: 4-O-[poly(2-beta-D-glucosyl-1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139150 +name: (S,S)-bis-(3-oleoylglycero)-1-phosphate(1-) +is_a: CHEBI:77717 ! 2,2'-lysobisphosphatidate + +[Term] +id: CHEBI:139151 +name: ADP-5-ethyl-4-methylthiazole-2-carboxylate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139152 +name: (S,S)-3-oleoylglycero-1-phospho-1'-glycerol(1-) +is_a: CHEBI:78211 ! 1-acylglycero-3-phospho-1'-glycerol(1-) + +[Term] +id: CHEBI:139154 +name: AZD1979 +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:35624 ! azaspiro compound +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:37948 ! oxaspiro compound +is_a: CHEBI:38784 ! oxetanes +is_a: CHEBI:46685 ! oxadiazole +is_a: CHEBI:46959 ! N-acylazetidine +relationship: has_role CHEBI:139155 ! melanin-concentrating hormone receptor antagonist + +[Term] +id: CHEBI:139155 +name: melanin-concentrating hormone receptor antagonist +is_a: CHEBI:48706 ! antagonist + +[Term] +id: CHEBI:139156 +name: (S,S)-bis-(2-oleoylglycero)-1-phosphate(1-) +is_a: CHEBI:77720 ! 1,1'-lysobisphosphatidate + +[Term] +id: CHEBI:139157 +name: (S,S)-2-oleoylglycero-1-phospho-1'-glycerol(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:139158 +name: [(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n polyanion +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139159 +name: alpha-D-galacturonosyl-[(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n polyanion +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139160 +name: 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38784 ! oxetanes +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:139161 +name: 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:139162 +name: oleuropein aglycone +is_a: CHEBI:139166 ! secoiridoid +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26407 ! pyrans +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:51307 ! diester +relationship: has_role CHEBI:137514 ! TRPA1 channel agonist +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:68481 ! mTOR inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:139163 +name: 2-\{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:139164 +name: 2-\{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:139166 +name: secoiridoid +is_a: CHEBI:50563 ! iridoid monoterpenoid + +[Term] +id: CHEBI:139171 +name: N(2)-[(3R)-3-(2-hydroxyacyloxy)acyl]-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:139179 +name: 4,4'-diapolycopen-4-oic acid +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:139181 +name: 1-O-(all-trans-retinoyl)-beta-D-glucuronate +is_a: CHEBI:139186 ! retinoid glucosiduronic acid anion + +[Term] +id: CHEBI:139182 +name: 4-(beta-D-glucopyranuronosyloxy)retinoate(2-) +is_a: CHEBI:139186 ! retinoid glucosiduronic acid anion + +[Term] +id: CHEBI:139183 +name: 5,6-epoxyretinoate +is_a: CHEBI:139589 ! retinoid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:139184 +name: 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronate +is_a: CHEBI:139186 ! retinoid glucosiduronic acid anion + +[Term] +id: CHEBI:139185 +name: 1-O-(4-oxoretinoyl)-beta-D-glucuronate +is_a: CHEBI:139186 ! retinoid glucosiduronic acid anion + +[Term] +id: CHEBI:139186 +name: retinoid glucosiduronic acid anion +is_a: CHEBI:139589 ! retinoid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:139187 +name: 2-hydroxy fatty acid anion 14:0 +is_a: CHEBI:139188 ! hydroxy fatty acid anion 14:0 +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:139188 +name: hydroxy fatty acid anion 14:0 +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:139189 +name: 2-hydroxy fatty acid anion 16:0 +is_a: CHEBI:139190 ! hydroxy fatty acid anion 16:0 +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:139190 +name: hydroxy fatty acid anion 16:0 +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:139191 +name: 2-hydroxy fatty acid anion 18:0 +is_a: CHEBI:139192 ! hydroxy fatty acid anion 18:0 +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:139192 +name: hydroxy fatty acid anion 18:0 +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:139193 +name: 2-hydroxy fatty acid anion 20:0 +is_a: CHEBI:139194 ! hydroxy fatty acid anion 20:0 +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:139194 +name: hydroxy fatty acid anion 20:0 +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:139195 +name: 2-hydroxy fatty acid anion 22:0 +is_a: CHEBI:139196 ! hydroxy fatty acid anion 22:0 +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:139196 +name: hydroxy fatty acid anion 22:0 +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:139197 +name: 2-hydroxy fatty acid anion 24:0 +is_a: CHEBI:139198 ! hydroxy fatty acid anion 24:0 +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:139198 +name: hydroxy fatty acid anion 24:0 +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:139199 +name: 2-hydroxy fatty acid anion 26:0 +is_a: CHEBI:139200 ! hydroxy fatty acid anion 26:0 +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:139200 +name: hydroxy fatty acid anion 26:0 +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion + +[Term] +id: CHEBI:139215 +name: cochalic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:139217 +name: 4-hydroxytryptamine +is_a: CHEBI:27162 ! tryptamines +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:84729 ! hydroxyindoles + +[Term] +id: CHEBI:139218 +name: secondary nitroalkane +is_a: CHEBI:7587 ! nitroalkane + +[Term] +id: CHEBI:139228 +name: (R,R)-bis(2-oleoylglycero)-3-phosphate(1-) +is_a: CHEBI:83236 ! 2-acylglycerophospho-(2'-acylglycerol)(1-) + +[Term] +id: CHEBI:139230 +name: (R,R)-2-oleoylglycero-1-phospho-1'-glycerol(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:139235 +name: (3E,5Z)-dodecadienoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:139236 +name: (R)-3-hydroxypentanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:139237 +name: bacteriochlorophyllide f(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:139239 +name: (R)-3-hydroxypentanoic acid +is_a: CHEBI:139272 ! 3-hydroxypentanoic acid + +[Term] +id: CHEBI:139240 +name: 7(1)-hydroxybacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:139242 +name: 7(1),7(1)-dihydroxybacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:139248 +name: [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:50523 ! butenolide +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:139252 +name: [8)-alpha-Neu5Ac-(2->]n polyanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139258 +name: all-trans-18-hydroxyretinoate +is_a: CHEBI:139589 ! retinoid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:139267 +name: [(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:51849 ! beta-ketoester +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:139268 +name: (S)-3-hydroxypentanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:139269 +name: 6beta-hydroxycortisone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:50406 ! probe +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:139270 +name: (S)-3-hydroxypentanoic acid +is_a: CHEBI:139272 ! 3-hydroxypentanoic acid + +[Term] +id: CHEBI:139271 +name: 6beta-hydroxycortisol +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:50406 ! probe +relationship: has_role CHEBI:75768 ! mammalian metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:139272 +name: 3-hydroxypentanoic acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid +is_a: CHEBI:73693 ! ketone body + +[Term] +id: CHEBI:139273 +name: 4-O-methylxanthohumol(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:139274 +name: calcitriol 25-O-(beta-D-glucuronate) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion + +[Term] +id: CHEBI:139277 +name: calcidiol 25-O-(beta-D-glucuronate) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion + +[Term] +id: CHEBI:139278 +name: calcidiol 3-O-(beta-D-glucuronate) +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion + +[Term] +id: CHEBI:139285 +name: [(2->8)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n polyanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139286 +name: [(2->8)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n polyanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139287 +name: [(2->6)-alpha-D-glucosyl-(1->4)-N-acetyl-alpha-D-neuraminosyl]n polyanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139288 +name: [(2->6)-alpha-D-glucosyl-(1->4)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n polyanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139289 +name: [(2->6)-alpha-D-glucosyl-(1->4)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n polyanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139291 +name: chlorophyll(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:139292 +name: chlorophyllide(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:139296 +name: D-alanyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:83944 ! D-alanine derivative + +[Term] +id: CHEBI:139300 +name: (+)-jasmonic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:36140 ! cyclopentanones +relationship: has_role CHEBI:24937 ! jasmonates + +[Term] +id: CHEBI:139301 +name: N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative + +[Term] +id: CHEBI:139302 +name: N-[(3R)-jasmonyl]-L-isoleucine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative + +[Term] +id: CHEBI:139303 +name: 2-hydroxybutanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:139304 +name: 2-hydroxyhexanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139319 +name: S-disulfanyl-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:139321 +name: S-(sulfosulfanyl)-L-cysteine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:139323 +name: coelenterazine 2-hydroperoxide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35924 ! peroxol +is_a: CHEBI:37847 ! imidazopyrazine +relationship: has_role CHEBI:25747 ! oxidized luciferins +relationship: has_role CHEBI:76507 ! marine metabolite + +[Term] +id: CHEBI:139324 +name: coelenterazine dioxetanone +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38314 ! pyrazines +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:139332 +name: 5-chloro-L-tryptophan zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:139335 +name: 6-chloro-L-tryptophan zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:139336 +name: 6,7-dichloro-L-tryptophan zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:139337 +name: (4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:59768 ! aliphatic aldehyde +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:139338 +name: EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor +is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor + +[Term] +id: CHEBI:139339 +name: EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor +is_a: CHEBI:139338 ! EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor + +[Term] +id: CHEBI:139340 +name: 1,3-dihydroimidazole-2-thiones +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:51276 ! thioureas + +[Term] +id: CHEBI:139346 +name: all-trans-4-hydroxyretinal +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:76507 ! marine metabolite + +[Term] +id: CHEBI:139362 +name: 2-hydroxy-3-methylundecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139363 +name: 2-hydroxy-3-methylnonanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139371 +name: aryl sulfate oxoanion +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:139372 +name: 3-methylnonanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139375 +name: (R)-2-hydroxyhexadecanoyl-CoA +is_a: CHEBI:74137 ! 2-hydroxyhexadecanoyl-CoA + +[Term] +id: CHEBI:139376 +name: 2-hydroxy-3-methyldodecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139392 +name: 3-methyldodecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:139394 +name: alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:139396 +name: CDP-4-dehydro-6-deoxy-alpha-D-glucose +is_a: CHEBI:17494 ! CDP-4-dehydro-6-deoxy-D-glucose +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:139397 +name: N-hexadecanoyl-O-(1-octadecanoyl-2-oleoyl-sn-glycero-3-phospho)-L-serine +is_a: CHEBI:139398 ! N-acyl-O-(3-sn-phosphatidyl)-L-serine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:139398 +name: N-acyl-O-(3-sn-phosphatidyl)-L-serine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:52565 ! acylglycerophosphoserine +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:139399 +name: N-hexadecanoyl-O-(1-octadecanoyl-sn-glycero-3-phospho)-L-serine +is_a: CHEBI:139400 ! N-acyllysophosphatidyl-L-serine + +[Term] +id: CHEBI:139400 +name: N-acyllysophosphatidyl-L-serine +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:52565 ! acylglycerophosphoserine +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:139401 +name: N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:140593 ! N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:13941 +name: carbamate +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:139413 +name: 1-oleoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:139419 +name: beta-D-fructofuranose 1-phosphate +is_a: CHEBI:37515 ! D-fructofuranose 1-phosphate + +[Term] +id: CHEBI:139446 +name: Man-1-2-Ins-1-P-Cer(d18:0) +is_a: CHEBI:25168 ! mannosylinositol phosphorylceramide + +[Term] +id: CHEBI:139471 +name: (4S)-2,3-dehydroleucocyanidin +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33823 ! enol +is_a: CHEBI:39436 ! chromenol + +[Term] +id: CHEBI:139472 +name: (4S)-2,3-dehydroleucopelargonidin +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33823 ! enol +is_a: CHEBI:39436 ! chromenol + +[Term] +id: CHEBI:139477 +name: mogroside +is_a: CHEBI:61778 ! triterpenoid saponin + +[Term] +id: CHEBI:139478 +name: nerylneryl diphosphate +is_a: CHEBI:15831 ! geranylgeranyl diphosphate + +[Term] +id: CHEBI:139479 +name: norbaeocystin +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:48274 ! tryptamine alkaloid +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:35499 ! hallucinogen +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:139480 +name: (+)-O-methylkolavelool +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:25698 ! ether +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:139481 +name: 5-chloro-L-tryptophan +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:47994 ! L-tryptophan derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:139492 +name: sensitiser +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:139493 +name: N(4)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc]-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139497 +name: N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139498 +name: N(4)-(alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139499 +name: N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:1395 +name: 3,5-dibromo-4-hydroxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:37147 ! dibromobenzene +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite + +[Term] +id: CHEBI:139500 +name: N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139504 +name: N(4)-\{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139505 +name: baeocystin +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:48274 ! tryptamine alkaloid +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:35499 ! hallucinogen +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:139507 +name: N(4)-\{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139508 +name: beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosaminide +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:139509 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:139510 +name: N(4)-\{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139511 +name: reduced coenzyme F420-(gamma-Glu)n polyanion +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:139513 +name: N(4)-\{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:139514 +name: nonaflavuxanthin +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:87168 ! C45 carotenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:139515 +name: flavuxanthin +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:87165 ! C50 carotenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:139518 +name: (5R)-5,6-dihydro-5-(thymidin-7-yl)thymidine dimer(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:139519 +name: thymidine dimer(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:139520 +name: phenolic donor +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:139521 +name: phenolic radical donor +is_a: CHEBI:36872 ! organic radical + +[Term] +id: CHEBI:139529 +name: inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine +is_a: CHEBI:65006 ! inositol phosphomannosylinositol phosphophytoceramide + +[Term] +id: CHEBI:139539 +name: (S,S)-bis-(3-oleoylglycero)-1-phosphate +is_a: CHEBI:60818 ! 2,2'-lysobisphosphatidic acid + +[Term] +id: CHEBI:139540 +name: (S,S)-3-oleoylglycero-1-phospho-1'-glycerol +is_a: CHEBI:24360 ! glycerophosphoglycerols + +[Term] +id: CHEBI:139541 +name: (S,S)-bis(2-oleoylglycero)-1-phosphate +is_a: CHEBI:60817 ! 1,1'-lysobisphosphatidic acid + +[Term] +id: CHEBI:139543 +name: (S,S)-2-oleoylglycero-1-phospho-1'-glycerol +is_a: CHEBI:24360 ! glycerophosphoglycerols + +[Term] +id: CHEBI:139553 +name: 7(1)-hydroxybacteriochlorophyllide d +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:139555 +name: 7(1),7(1)-dihydroxybacteriochlorophyllide d +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:139556 +name: EC 4.1.1.17 (ornithine decarboxylase) inhibitor +is_a: CHEBI:76906 ! EC 4.1.1.* (carboxy-lyase) inhibitor + +[Term] +id: CHEBI:139558 +name: 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronic acid +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:32955 ! epoxide +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:139559 +name: (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:13956 +name: ceramide 1-phosphate +is_a: CHEBI:17761 ! ceramide +is_a: CHEBI:35786 ! phosphosphingolipid + +[Term] +id: CHEBI:139561 +name: archaeal dolichyl beta-D-glucosyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139562 +name: archaeal dolichyl beta-D-glucuronosyl-(1->3)-beta-D-glucosyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:139563 +name: octadecatrienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:139565 +name: octadecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:139567 +name: octadecenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:139569 +name: 8-amino-8-demethylriboflavin 5'-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139570 +name: 8-formyl-8-demethylriboflavin 5'-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:139571 +name: 8-carboxy-8-demethylriboflavin 5'-phosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:91007 ! aromatic carboxylate + +[Term] +id: CHEBI:139572 +name: hexadecenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:139574 +name: octadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA + +[Term] +id: CHEBI:139575 +name: monounsaturated fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:139576 +name: octadecatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:139578 +name: octadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:139580 +name: O(3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl]-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:139581 +name: O(3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl]-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:139583 +name: (R,R)-bis(2-oleoylglycero)-3-phosphate +is_a: CHEBI:60815 ! lysobisphosphatidic acid + +[Term] +id: CHEBI:139585 +name: (R,R)-2-oleoylglycero-1-phospho-1'-glycerol +is_a: CHEBI:24360 ! glycerophosphoglycerols + +[Term] +id: CHEBI:139588 +name: alpha-hydroxy ketone +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:52396 ! alpha-oxyketone + +[Term] +id: CHEBI:139589 +name: retinoid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:139590 +name: primary alpha-hydroxy ketone +is_a: CHEBI:139588 ! alpha-hydroxy ketone +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:139592 +name: tertiary alpha-hydroxy ketone +is_a: CHEBI:139588 ! alpha-hydroxy ketone +is_a: CHEBI:26878 ! tertiary alcohol + +[Term] +id: CHEBI:139593 +name: 4-O-methylxanthohumol +is_a: CHEBI:23086 ! chalcones +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:139596 +name: N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:139597 +name: O(3)-[N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-serine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:139598 +name: O(3)-[N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-threonine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:139600 +name: calcitriol 25-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:139604 +name: beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:139605 +name: O(3)-\{beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:139607 +name: O(3)-\{beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:139610 +name: calcidiol 25-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:139611 +name: O(3)-\{beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-alpha-D-GalNAc}-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:139612 +name: O(3)-\{N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:139613 +name: calcidiol 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:13997 +name: citramalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:140077 +name: 6-chloro-L-tryptophan +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:47994 ! L-tryptophan derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:140080 +name: O(3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl]-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140082 +name: 2-octanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:140083 +name: O(3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl]-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140084 +name: all-trans-retinyl octanoate +is_a: CHEBI:63410 ! all-trans-retinyl ester + +[Term] +id: CHEBI:140085 +name: O(3)-\{N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl}-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140086 +name: 6,7-dichloro-L-tryptophan +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:47994 ! L-tryptophan derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:140087 +name: O(3)-\{N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl}-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140088 +name: 2-dodecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:140089 +name: all-trans-retinyl dodecanoate +is_a: CHEBI:30805 ! dodecanoic acid +is_a: CHEBI:63410 ! all-trans-retinyl ester +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:140135 +name: 8-amino-8-demethylriboflavin 5'-phosphate +is_a: CHEBI:24041 ! flavin mononucleotide +is_a: CHEBI:26554 ! ribitol phosphate + +[Term] +id: CHEBI:140153 +name: (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:140156 +name: 8-formyl-8-demethylriboflavin 5'-phosphate +is_a: CHEBI:24041 ! flavin mononucleotide +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:33855 ! arenecarbaldehyde + +[Term] +id: CHEBI:140157 +name: 8-carboxy-8-demethylriboflavin 5'-phosphate +is_a: CHEBI:24041 ! flavin mononucleotide +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:33859 ! aromatic carboxylic acid + +[Term] +id: CHEBI:140159 +name: D-hexose phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:140161 +name: phosphatidylcholine (20:4/16:0) +is_a: CHEBI:64520 ! phosphatidylcholine 36:4 + +[Term] +id: CHEBI:140165 +name: Brassica napus metabolite +is_a: CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:140168 +name: N(4)-\{alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn(2-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:140169 +name: N(4)-\{beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:140170 +name: N(4)-\{beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:140179 +name: 3'-L-prolyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:140181 +name: (3R,4R)-4,2'-dihydroxyisoflavans +is_a: CHEBI:76250 ! hydroxyisoflavans + +[Term] +id: CHEBI:140182 +name: hydroxyalbendazole +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:35683 ! aryl sulfide +relationship: has_role CHEBI:49103 ! drug metabolite + +[Term] +id: CHEBI:140183 +name: (3R)-2'-hydroxyisoflavanones +is_a: CHEBI:72739 ! hydroxyisoflavanone + +[Term] +id: CHEBI:140184 +name: hydroxyfenbendazole +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35683 ! aryl sulfide +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite + +[Term] +id: CHEBI:140188 +name: 2alpha-hydroxy-ent-isokaurene +is_a: CHEBI:36760 ! ent-kaurane diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:140189 +name: omega-hydroxy-beta-dihydromenaquinone-9 +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:25185 ! menaquinones +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:140195 +name: 21-phosphorifampicin(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:140203 +name: 3-bromo-4-hydroxybenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate + +[Term] +id: CHEBI:140211 +name: 3-bromo-4,5-dihydroxybenzoate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:140214 +name: 3,5-dibromocatechol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:37147 ! dibromobenzene +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:140219 +name: O-[S-(4,5-dichloropyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:140221 +name: O-[S-(5-chloropyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:140232 +name: sordaricin(1-) +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:140233 +name: 4'-O-demethylsordarin(1-) +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:140241 +name: 3-bromo-4-hydroxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:37149 ! bromobenzenes +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:140242 +name: 3-bromo-4,5-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:37149 ! bromobenzenes +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:140259 +name: sordaricin +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid +is_a: CHEBI:52557 ! tetracyclic diterpenoid +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:140260 +name: (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate +is_a: CHEBI:131867 ! hydroxydocosahexaenoate + +[Term] +id: CHEBI:14027 +name: corydaline +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:24922 ! isoquinolines + +[Term] +id: CHEBI:140275 +name: 2alpha,3alpha-dihydroxy-ent-isokaurene +is_a: CHEBI:36760 ! ent-kaurane diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:140276 +name: 21-phosphorifampicin +is_a: CHEBI:26580 ! rifamycins +is_a: CHEBI:38532 ! hydrazone +is_a: CHEBI:46847 ! N-iminopiperazine +is_a: CHEBI:46920 ! N-methylpiperazine +is_a: CHEBI:59779 ! cyclic ketal +is_a: CHEBI:72588 ! semisynthetic derivative +is_a: CHEBI:7794 ! phosphate monoester + +[Term] +id: CHEBI:140277 +name: 5-hydroxyanthocyanidin +is_a: CHEBI:16366 ! anthocyanidin cation + +[Term] +id: CHEBI:140278 +name: 5-hydroxyanthocyanin O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:140284 +name: deoxyribonucleotide residue(1-) +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:140286 +name: deoxyribonucleoside 5'-methylphosphate residue +is_a: CHEBI:55367 ! deoxyribonucleotide residue + +[Term] +id: CHEBI:140294 +name: 5'-triphosphoadenylyl-(2'->5')-adenosine(5-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:140297 +name: 4'-O-demethylsordarin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid +is_a: CHEBI:52557 ! tetracyclic diterpenoid +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:14030 +name: crepenynate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion + +[Term] +id: CHEBI:140301 +name: 7-hydroxyisoflavones 7-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:38757 ! isoflavones +is_a: CHEBI:74630 ! glycosyloxyisoflavone + +[Term] +id: CHEBI:140302 +name: beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:140303 +name: beta-D-galactosyl-(1->4)-beta-D-glucoside +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:140304 +name: beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:140305 +name: genistein 7-O-beta-D-glucoside(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:140306 +name: 2'-hydroxygenistein(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:140308 +name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(1-) +is_a: CHEBI:21619 ! N-acetylneuraminates + +[Term] +id: CHEBI:140309 +name: alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(2-) +is_a: CHEBI:21619 ! N-acetylneuraminates + +[Term] +id: CHEBI:140310 +name: phenyl acetates +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:47622 ! acetate ester + +[Term] +id: CHEBI:140311 +name: FMNH(.)(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:140312 +name: [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n polyanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:140314 +name: 5'-triphosphoadenylyl-(2'->5')-adenosine +is_a: CHEBI:75800 ! (2'->5')-dinucleotide +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:140317 +name: phenyl sulfate oxoanion +is_a: CHEBI:139371 ! aryl sulfate oxoanion + +[Term] +id: CHEBI:140324 +name: primary carboxamide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:140325 +name: secondary carboxamide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:140326 +name: tertiary carboxamide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:140327 +name: alpha-L-fucosyl-(1->2)-beta-D-galactoside +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:140328 +name: alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactoside +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:140329 +name: 13-deoxycarminomycin(1+) +is_a: CHEBI:64678 ! anthracycline cation + +[Term] +id: CHEBI:140330 +name: (13R)-13-dihydrocarminomycin(1+) +is_a: CHEBI:64678 ! anthracycline cation + +[Term] +id: CHEBI:140331 +name: 4'-hydroxyflavanones +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:140332 +name: 4'-methoxyflavanones +is_a: CHEBI:25240 ! methoxyflavanone + +[Term] +id: CHEBI:140335 +name: glucuronoxylan D-glucuronate polyanion +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:140336 +name: glucuronoxylan 4-O-methyl-D-glucuronate polyanion +is_a: CHEBI:61469 ! polyanionic polymer +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:140345 +name: hydroxy polyunsaturated fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid + +[Term] +id: CHEBI:140347 +name: substituted beta-amino acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:140353 +name: phosphatidic acid 40:6 +is_a: CHEBI:16337 ! phosphatidic acid + +[Term] +id: CHEBI:140354 +name: phosphatidic acid 38:4 +is_a: CHEBI:16337 ! phosphatidic acid + +[Term] +id: CHEBI:140356 +name: 7-methoxyisoflavones +is_a: CHEBI:38756 ! methoxyisoflavone + +[Term] +id: CHEBI:140357 +name: N(4)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:140358 +name: monosaccharide 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:140359 +name: UDP-monosaccharide(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:140369 +name: N(4)-[6-(N-acetyl-alpha-D-glucosaminyl-1-phospho)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue(1-) +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:140371 +name: N(4)-[6-phospho-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:140372 +name: 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:140374 +name: 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:140377 +name: (2S)-flavan-4-one +is_a: CHEBI:28863 ! flavanones + +[Term] +id: CHEBI:140379 +name: an aldopyranose +is_a: CHEBI:15693 ! aldose +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140380 +name: an aldono-1,5-lactone +is_a: CHEBI:22302 ! aldonolactone +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140383 +name: (3R)-3-\{[(3R)-3-\{[(3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:140384 +name: (3R)-3-\{[(3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:140385 +name: (3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:140388 +name: (3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid +is_a: CHEBI:140392 ! (3R)-3-hydroxybutanoic acid oligomer +is_a: CHEBI:51307 ! diester +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:140390 +name: (3R)-3-\{[(3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid +is_a: CHEBI:140392 ! (3R)-3-hydroxybutanoic acid oligomer +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:140391 +name: (3R)-3-\{[(3R)-3-\{[(3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid +is_a: CHEBI:140392 ! (3R)-3-hydroxybutanoic acid oligomer + +[Term] +id: CHEBI:140392 +name: (3R)-3-hydroxybutanoic acid oligomer +is_a: CHEBI:132554 ! oligomer +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:140395 +name: poly(nucleoside 5'-monophosphate) polyanion +is_a: CHEBI:60164 ! ionic polymer + +[Term] +id: CHEBI:140399 +name: specialised pro-resolving mediator +is_a: CHEBI:24432 ! biological role +is_a: CHEBI:62488 ! signalling molecule +is_a: CHEBI:67079 ! anti-inflammatory agent + +[Term] +id: CHEBI:140403 +name: N-acyl-1-[(1Z)-alkenyl]-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:140426 +name: 2,4,6-trichlorophenolate +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:140432 +name: [(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:64560 ! lysophosphatidylcholine 16:1 + +[Term] +id: CHEBI:140433 +name: GDP-6-deoxy-alpha-D-altrose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:140434 +name: 3-[(Z)-2-isocyanovinyl]indole +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:35353 ! isocyanide +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:140439 +name: 3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole +is_a: CHEBI:35353 ! isocyanide +is_a: CHEBI:35581 ! indole +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:140440 +name: hapalindole H +is_a: CHEBI:141617 ! hapalindole +is_a: CHEBI:35353 ! isocyanide +is_a: CHEBI:38163 ! organic heterotetracyclic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:140441 +name: 12-epi-hapalindole U +is_a: CHEBI:141617 ! hapalindole +is_a: CHEBI:35353 ! isocyanide +is_a: CHEBI:38163 ! organic heterotetracyclic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:140442 +name: 12-epi-fischerindole U +is_a: CHEBI:141619 ! fischerindole alkaloid +is_a: CHEBI:35353 ! isocyanide +is_a: CHEBI:38163 ! organic heterotetracyclic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:140444 +name: linoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64549 ! lysophosphatidylcholine 18:2 + +[Term] +id: CHEBI:140445 +name: alpha-linolenoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64565 ! lysophosphatidylcholine 18:3 + +[Term] +id: CHEBI:140446 +name: ricinoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:84465 ! acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:140451 +name: N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:140452 +name: 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:77284 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphate(2-) + +[Term] +id: CHEBI:140454 +name: O-[S-(5-bromopyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:140455 +name: O-[S-(4,5-dibromopyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:140456 +name: O-[S-(3,4,5-tribromopyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:140466 +name: hederagenin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:140467 +name: gypsogenin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:140468 +name: gypsogenate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:140471 +name: triricinolein +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:140489 +name: tropomyosin-related kinase B receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:140494 +name: O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-2-O-phospho-xylosyl)-L-serine(2-) residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140495 +name: O(3)-(beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-2-O-phospho-xylosyl)-L-serine(3-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:140497 +name: 12,18-didecarboxysiroheme(6-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:140498 +name: dihydro-ferroheme d1(4-) +is_a: CHEBI:35754 ! tetracarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:140509 +name: 6-chloro-D-tryptophan zwitterion +is_a: CHEBI:78608 ! alpha-amino acid zwitterion + +[Term] +id: CHEBI:140515 +name: 6-chloro-D-tryptophan +is_a: CHEBI:140516 ! 6-chlorotryptophan +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:47997 ! D-tryptophan derivative + +[Term] +id: CHEBI:140516 +name: 6-chlorotryptophan +is_a: CHEBI:27164 ! tryptophan derivative +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:140521 +name: 13-methyltetradecenal +is_a: CHEBI:61870 ! monounsaturated fatty aldehyde + +[Term] +id: CHEBI:140522 +name: [(1->4)-alpha-D-galacturonosyl methyl ester](n) +is_a: CHEBI:37164 ! homopolysaccharide + +[Term] +id: CHEBI:140523 +name: [(1->4)-alpha-D-galacturonosyl](n) +is_a: CHEBI:37164 ! homopolysaccharide + +[Term] +id: CHEBI:140525 +name: sn-1,2-diricinolein +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140526 +name: 1,2-dihexanoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol + +[Term] +id: CHEBI:140527 +name: 1,2-dihexanoyl-3-oleoyl-sn-glycerol +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140528 +name: 6-methylthioguanine +is_a: CHEBI:20702 ! 2-aminopurines +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140531 +name: GDP-6-deoxy-alpha-D-altrose +is_a: CHEBI:21167 ! GDP-hexose + +[Term] +id: CHEBI:140532 +name: N-arachidonoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) + +[Term] +id: CHEBI:140533 +name: 3-acetamido-4-hydroxybenzoate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:140534 +name: 3-acetylamino-4-hydroxybenzaldehyde(1-) +is_a: CHEBI:13790 ! N-acetylarylamine + +[Term] +id: CHEBI:140535 +name: TRPV1 agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:140537 +name: diethylphosphate(1-) +is_a: CHEBI:138518 ! dialkyl phosphate(1-) + +[Term] +id: CHEBI:140559 +name: N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose derivative +is_a: CHEBI:35317 ! glycosylgalactose +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:140561 +name: (1->4)-3,6-bis(phospho)-alpha-D-glucan polyanion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:140564 +name: delta-cadinene +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:22976 ! cadinene + +[Term] +id: CHEBI:140572 +name: heparan sulfate alpha-D-N-sulfoglucosamine polyanion +is_a: CHEBI:60164 ! ionic polymer +is_a: CHEBI:61660 ! organic sulfamate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:140573 +name: alpha-D-glucosyl-L-tyrosyl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140574 +name: (1,4-alpha-D-glucosyl)(n)-L-tyrosyl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140575 +name: alpha-D-xylose-(1->3)-beta-D-glucose-L-seryl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140576 +name: beta-D-glucose-L-seryl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140577 +name: beta-D-glucose-L-threonyl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140578 +name: alpha-D-xylose-(1->3)-beta-D-glucose-L-threonyl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140593 +name: N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:140594 +name: ethanediol derivative +is_a: CHEBI:13643 ! glycol + +[Term] +id: CHEBI:140595 +name: 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:52567 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphate + +[Term] +id: CHEBI:140596 +name: monosubstituted aliphatic (S)-cyanohydrin +is_a: CHEBI:23437 ! cyanohydrin + +[Term] +id: CHEBI:140597 +name: disubstituted aliphatic (S)-cyanohydrin +is_a: CHEBI:23437 ! cyanohydrin + +[Term] +id: CHEBI:140599 +name: alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-seryl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140600 +name: alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-threonyl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140601 +name: fatty acid 4:0 +is_a: CHEBI:26666 ! short-chain fatty acid + +[Term] +id: CHEBI:140603 +name: 3-acetamido-4-hydroxybenzoic acid +is_a: CHEBI:13790 ! N-acetylarylamine +is_a: CHEBI:25389 ! monohydroxybenzoic acid + +[Term] +id: CHEBI:140604 +name: heparan sulfate alpha-D-glucosaminide 6-sulfate polyanion +is_a: CHEBI:60164 ! ionic polymer +is_a: CHEBI:61660 ! organic sulfamate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:140605 +name: tetrahydrosulfopterin +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:140606 +name: 5,10-methylenetetrahydrosulfopterin +is_a: CHEBI:26375 ! pterins +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140607 +name: S-(ADP-D-ribosyl)-L-cysteinyl residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:140610 +name: 4'-hydroxyechinenone +is_a: CHEBI:35310 ! carotenone +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:140613 +name: L,L-homocystine zwitterion +is_a: CHEBI:58163 ! homocystine zwitterion + +[Term] +id: CHEBI:140614 +name: alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Ceramide +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140615 +name: alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +is_a: CHEBI:140614 ! alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Ceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140616 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Ceramide +is_a: CHEBI:36642 ! glycohexaosylceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140617 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140619 +name: alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:36640 ! glycoheptaosylceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140620 +name: alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +is_a: CHEBI:140619 ! alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140623 +name: Monosialyl-Gb5(1-) +is_a: CHEBI:36642 ! glycohexaosylceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140624 +name: Disialosyl Gb5(2-) +is_a: CHEBI:36640 ! glycoheptaosylceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140625 +name: 5-chlorocarbonyl-4-hydroxy-penta-2,4-dienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:36687 ! acyl chloride + +[Term] +id: CHEBI:140626 +name: RNA(n)-3'-adenine ribonucleotide polyanion +is_a: CHEBI:33697 ! ribonucleic acid +is_a: CHEBI:60164 ! ionic polymer + +[Term] +id: CHEBI:140627 +name: RNA(n)-3'-uridine ribonucleotide polyanion +is_a: CHEBI:33697 ! ribonucleic acid +is_a: CHEBI:60164 ! ionic polymer + +[Term] +id: CHEBI:140629 +name: dialurate +is_a: CHEBI:22693 ! barbiturates + +[Term] +id: CHEBI:140632 +name: 5-methylaminomethyl-S-(2E)-geranyl-thiouridine 5'-monophosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:140633 +name: 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate +is_a: CHEBI:38186 ! isonicotinate + +[Term] +id: CHEBI:140634 +name: 3-oxochol-4,6-dien-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138842 ! 3alpha-hydroxy bile acid CoA thioester(4-) + +[Term] +id: CHEBI:140635 +name: 12alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:140636 +name: 7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:140637 +name: 7beta-hydroxy-3-oxochol-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:140638 +name: 7beta-hydroxy-3-oxochol-4-en-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138843 ! 3-oxo bile acid CoA thioester(4-) + +[Term] +id: CHEBI:140639 +name: dihydro-4-coumaroyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:140640 +name: dihydroferuloyl-CoA(4-) +is_a: CHEBI:57276 ! feruloyl-CoA(4-) + +[Term] +id: CHEBI:140641 +name: rhizobitoxine +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:140642 +name: dihydrorhizobitoxine +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:140646 +name: poly(2,5-ethylene furandicarboxylate)(1-) +is_a: CHEBI:60164 ! ionic polymer + +[Term] +id: CHEBI:140647 +name: (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140648 +name: (2E)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoate +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140650 +name: 4-[(E)-2-isocyanoethenyl]phenol +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140652 +name: (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140654 +name: 3-[(E)-2-isocyanovinyl]indole +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:35353 ! isocyanide +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:140655 +name: 16alpha-hydroxy-beta-amyrin +is_a: CHEBI:25872 ! pentacyclic triterpenoid + +[Term] +id: CHEBI:140656 +name: N-terminal S-1,2-diacyl-sn-glyceryl-L-cysteine(1+) residue +is_a: CHEBI:29950 ! L-cysteine residue + +[Term] +id: CHEBI:140657 +name: N-acyl-S-1,2-diacyl-sn-glyceryl-L-cysteine residue +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140658 +name: S-1,2-diacyl-sn-glyceryl-L-cysteine residue +is_a: CHEBI:29950 ! L-cysteine residue + +[Term] +id: CHEBI:140660 +name: a 2-acyl-sn-glycero-3-phospholipid +is_a: CHEBI:136913 ! monoacyl-sn-glycero-3-phospholipid + +[Term] +id: CHEBI:140662 +name: 2,4-diacetylphloroglucinol(1-) +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:140663 +name: N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:140664 +name: S-(2-sulfodisulfanyl)-L-cysteine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:140675 +name: 3-hydroxyacyl derivative of bacterial toxin +is_a: CHEBI:36586 ! carbonyl compound + +[Term] +id: CHEBI:140676 +name: 4',4'-dihydroxyechinenone +is_a: CHEBI:35310 ! carotenone +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:140677 +name: 4-hydroxy-all-trans-beta-carotene +is_a: CHEBI:35163 ! cyclic carotene + +[Term] +id: CHEBI:140678 +name: 4,4-dihydroxy-all-trans-beta-carotene +is_a: CHEBI:35163 ! cyclic carotene + +[Term] +id: CHEBI:140691 +name: beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide + +[Term] +id: CHEBI:140714 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140743 +name: alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:23075 ! glycotetraosylceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:140750 +name: D-5-phenylhydantoin +is_a: CHEBI:86339 ! D-5-monosubstituted hydantoin + +[Term] +id: CHEBI:140758 +name: N-carbamoyl-D-phenylglycine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:140764 +name: beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-alpha-D-galactosaminide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:140773 +name: lysophosphatidylcholine P-16:0 +is_a: CHEBI:17832 ! 1-O-(alk-1-enyl)-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:140774 +name: 4-[(1->4)-alpha-D-glucosyl]n-D-glucose +is_a: CHEBI:37163 ! glucan + +[Term] +id: CHEBI:140775 +name: 1-[(1->4)-alpha-D-glucosyl]n-alpha-D-glucopyranoside +is_a: CHEBI:37163 ! glucan + +[Term] +id: CHEBI:140785 +name: alkylcob(III)alamin +is_a: CHEBI:23333 ! cob(III)alamins + +[Term] +id: CHEBI:140817 +name: alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36508 ! glycotriaosylceramide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:14086 +name: dTDP-D-galactose +is_a: CHEBI:15848 ! dTDP-galactose + +[Term] +id: CHEBI:140883 +name: TG(18:2/18:2/18:2) +is_a: CHEBI:85876 ! triacylglycerol 54:6 + +[Term] +id: CHEBI:140922 +name: glioma-associated oncogene inhibitor +is_a: CHEBI:35222 ! inhibitor + +[Term] +id: CHEBI:140991 +name: omega-methyl-long-chain fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76619 ! omega-methyl fatty acid anion + +[Term] +id: CHEBI:140992 +name: omega-hydroxy-long-chain fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion + +[Term] +id: CHEBI:140997 +name: omega-hydroxy-long-chain fatty acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid + +[Term] +id: CHEBI:141005 +name: (6S)-5,6,7,8-tetrahydrofolyl-poly(gamma-glutamate) macromolecule +is_a: CHEBI:53309 ! polyanionic macromolecule +is_a: CHEBI:58580 ! tetrahydrofolyl-poly(glutamate) macromolecule + +[Term] +id: CHEBI:141013 +name: cob(II)inamide +is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide + +[Term] +id: CHEBI:141014 +name: a pyrimidine ribonucleoside +is_a: CHEBI:18254 ! ribonucleoside + +[Term] +id: CHEBI:14105 +name: deamido-NAD zwitterion +is_a: CHEBI:37584 ! nicotinic acid dinucleotide + +[Term] +id: CHEBI:141131 +name: acyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:141211 +name: (R)-3-hydroxyisobutyrate +is_a: CHEBI:11805 ! 3-hydroxyisobutyrate + +[Term] +id: CHEBI:141212 +name: (R)-methylmalonate semialdehyde +is_a: CHEBI:57700 ! 2-methyl-3-oxopropanoate + +[Term] +id: CHEBI:141249 +name: N-carbamoyl-D-phenylglycine +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:141283 +name: (6E)-nerolidol +is_a: CHEBI:7524 ! nerolidol + +[Term] +id: CHEBI:141434 +name: monoacyl-3-O-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid + +[Term] +id: CHEBI:14148 +name: dihydrodipicolinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:141496 +name: 4-hydroxy-L-lysine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:14158 +name: dihydromonacolin L +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:75885 ! 2-pyranones + +[Term] +id: CHEBI:141610 +name: 3-hydroxy-D-kynurenine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:141616 +name: hapalindole-type alkaloid +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:141617 +name: hapalindole +is_a: CHEBI:141616 ! hapalindole-type alkaloid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:141619 +name: fischerindole alkaloid +is_a: CHEBI:141616 ! hapalindole-type alkaloid + +[Term] +id: CHEBI:141668 +name: L-tyrosinal(1+) +is_a: CHEBI:65296 ! primary ammonium ion + +[Term] +id: CHEBI:141688 +name: N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:141697 +name: N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(5-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:141698 +name: L,L-homocystine +is_a: CHEBI:17485 ! homocystine + +[Term] +id: CHEBI:141711 +name: N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(4-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:141724 +name: N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:141743 +name: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:141748 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:141753 +name: N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:141772 +name: 2-hydroxydodecanoate +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:14178 +name: 1D-myo-inositol bis(diphosphate) tetrakisphosphate +is_a: CHEBI:25449 ! myo-inositol tetrakisphosphate +is_a: CHEBI:64604 ! diphosphoinositol polyphosphate + +[Term] +id: CHEBI:141790 +name: 3-hydroxybutane-1,2,3-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:141817 +name: 5-hydroxy-L-lysinium residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:141828 +name: 3-hydroxy-L-asparagine residue +is_a: CHEBI:32664 ! asparagine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:141855 +name: 5'-end NTP-ribonucleotide(5-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:141997 +name: hydroxy-L-argininium residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:142054 +name: 3-hydroxyaspartic acid residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:142057 +name: 3-hydroxy-L-aspartic acid residue +is_a: CHEBI:142054 ! 3-hydroxyaspartic acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:142091 +name: (-)-eremophilene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin + +[Term] +id: CHEBI:142110 +name: 8-methylmenaquinone +is_a: CHEBI:25185 ! menaquinones + +[Term] +id: CHEBI:14216 +name: erythrulose 1-phosphate +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:24980 ! ketotetrose phosphate + +[Term] +id: CHEBI:142163 +name: 24G7 epitope +is_a: CHEBI:24433 ! group +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:142198 +name: purine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) + +[Term] +id: CHEBI:142209 +name: pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) + +[Term] +id: CHEBI:142345 +name: ditrans,polycis-dodecaprenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:142348 +name: hexahydronaphthalenes +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:142355 +name: purines D-ribonucleoside +is_a: CHEBI:26399 ! purine ribonucleoside + +[Term] +id: CHEBI:142361 +name: purines 2'-deoxy-D-ribonucleoside +is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:142378 +name: ditrans,polycis-dodecaprenyl phosphate +is_a: CHEBI:16460 ! polyprenol phosphate + +[Term] +id: CHEBI:142389 +name: trans-feruloylacetyl-CoA(4-) +is_a: CHEBI:71221 ! feruloylacetyl-CoA(4-) + +[Term] +id: CHEBI:142408 +name: arylkylammonium +is_a: CHEBI:65296 ! primary ammonium ion + +[Term] +id: CHEBI:142409 +name: S-alkyl-L-cysteine S-oxide zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:142410 +name: guanosine 3'-diphosphate 5'-triphosphate hexaanion +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:142422 +name: gamma-carboxy-L-glutamate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:14261 +name: feruloyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:14268 +name: flavonol 3-O-glycoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:1427 +name: 3-(3-hydroxyphenyl)propanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:14272 +name: fluoroacetaldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:37143 ! organofluorine compound +relationship: has_role CHEBI:50912 ! cardiotoxic agent + +[Term] +id: CHEBI:14280 +name: formyl phosphate(1-) +is_a: CHEBI:60199 ! acyl monophosphate(1-) + +[Term] +id: CHEBI:14314 +name: D-glucose 6-phosphate +is_a: CHEBI:17348 ! D-aldohexose 6-phosphate +is_a: CHEBI:21006 ! D-glucose monophosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:14321 +name: glutamate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:14336 +name: glycerol 1-phosphate +is_a: CHEBI:16890 ! glycerol monophosphate +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:1438 +name: 3-(methylthio)propionic acid +is_a: CHEBI:59643 ! thia fatty acid +relationship: has_role CHEBI:38231 ! phytotoxin + +[Term] +id: CHEBI:14428 +name: hyponitrous acid +is_a: CHEBI:33455 ! nitrogen oxoacid + +[Term] +id: CHEBI:14434 +name: imidazole +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:38179 ! monocyclic heteroarene + +[Term] +id: CHEBI:14469 +name: isomethyleugenol +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:51681 ! dimethoxybenzene +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:1447 +name: 3-acylpyruvic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid + +[Term] +id: CHEBI:1449 +name: 3-amino-2-oxopropyl phosphate +is_a: CHEBI:36948 ! oxoalkyl phosphate + +[Term] +id: CHEBI:14597 +name: methylarsonite +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:145989 +name: 3-phosphonatoshikimate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:1461 +name: 3-butynoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:73477 ! terminal acetylenic compound + +[Term] +id: CHEBI:14648 +name: NMN(+) +is_a: CHEBI:50383 ! nicotinamide mononucleotide + +[Term] +id: CHEBI:14649 +name: NMN(-) +is_a: CHEBI:50383 ! nicotinamide mononucleotide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:1467 +name: (2S)-2-isopropyl-3-oxosuccinic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:1472 +name: 3-chloro-cis,cis-muconic acid +is_a: CHEBI:38428 ! 3-chloromuconic acid + +[Term] +id: CHEBI:14737 +name: pantoic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:14750 +name: acetylacetone +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:14885 +name: prephytoene diphosphate +is_a: CHEBI:23044 ! carotenoid +is_a: CHEBI:36782 ! tetraterpenyl phosphate + +[Term] +id: CHEBI:149 +name: (-)-dihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol +relationship: has_role CHEBI:48318 ! fragrance + +[Term] +id: CHEBI:14919 +name: N(6)-lipoyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:14949 +name: N(6)-(S(8)-aminomethyldihydrolipoyl)-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:14973 +name: pyrazole +is_a: CHEBI:26410 ! pyrazoles +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:38179 ! monocyclic heteroarene + +[Term] +id: CHEBI:150 +name: (-)-isodihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol + +[Term] +id: CHEBI:15022 +name: electron donor +is_a: CHEBI:17891 ! donor + +[Term] +id: CHEBI:15031 +name: dihydroriboflavins +is_a: CHEBI:30527 ! flavin + +[Term] +id: CHEBI:15035 +name: retinal +is_a: CHEBI:26534 ! retinals +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15036 +name: retinoate +is_a: CHEBI:139589 ! retinoid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:15040 +name: retinyl palmitate +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:22586 ! antioxidant + +[Term] +id: CHEBI:15045 +name: riboflavin cyclic 4',5'-phosphate +is_a: CHEBI:24041 ! flavin mononucleotide +is_a: CHEBI:26554 ! ribitol phosphate +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:1506 +name: 3-fumarylpyruvic acid +is_a: CHEBI:47940 ! 4,6-dioxohept-2-enedioic acid +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:15075 +name: selenate +is_a: CHEBI:33488 ! selenium oxoanion +is_a: CHEBI:79388 ! divalent inorganic anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:151 +name: D-threo-isocitric acid +is_a: CHEBI:30887 ! isocitric acid + +[Term] +id: CHEBI:15138 +name: sulfide(2-) +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:15193 +name: tartrate(2-) +is_a: CHEBI:30929 ! 2,3-dihydroxybutanedioate +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:152 +name: (+)-neodihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol + +[Term] +id: CHEBI:15208 +name: taxuyunnanin C +is_a: CHEBI:50367 ! taxane diterpenoid + +[Term] +id: CHEBI:15226 +name: tetrathionate(2-) +is_a: CHEBI:26936 ! tetrathionate ion +is_a: CHEBI:48154 ! sulfur oxide + +[Term] +id: CHEBI:15237 +name: thiomorpholine-3-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:36393 ! thiomorpholines + +[Term] +id: CHEBI:15243 +name: threonate +is_a: CHEBI:49061 ! 2,3,4-trihydroxybutanoate + +[Term] +id: CHEBI:15245 +name: thymidine 5'-monophosphate +is_a: CHEBI:27001 ! thymidine phosphate +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:15258 +name: trichlorophenols +is_a: CHEBI:23150 ! chlorophenol +is_a: CHEBI:27096 ! trichlorobenzene + +[Term] +id: CHEBI:15266 +name: triphosphate ion +is_a: CHEBI:33461 ! phosphorus oxoanion + +[Term] +id: CHEBI:153 +name: (-)-neoisodihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol + +[Term] +id: CHEBI:15318 +name: xanthine +is_a: CHEBI:25810 ! oxopurine +is_a: CHEBI:26386 ! purine nucleobase +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15333 +name: zeatin +is_a: CHEBI:38643 ! 6-isopentenylaminopurine +relationship: has_role CHEBI:23530 ! cytokinin + +[Term] +id: CHEBI:15334 +name: N(alpha)-methyl-L-tryptophan +is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid +is_a: CHEBI:47994 ! L-tryptophan derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15335 +name: 5,7-dihydroxy-4'-methoxyflavone +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38686 ! dihydroxyflavone +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15337 +name: beta-alanopine +is_a: CHEBI:36164 ! amino dicarboxylic acid + +[Term] +id: CHEBI:15339 +name: acceptor +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:15341 +name: beta-D-glucosiduronic acid +is_a: CHEBI:24302 ! glucosiduronic acid + +[Term] +id: CHEBI:15342 +name: acenaphthoquinone +is_a: CHEBI:25622 ! orthoquinones +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:53431 ! chain carrier + +[Term] +id: CHEBI:15343 +name: acetaldehyde +is_a: CHEBI:17478 ! aldehyde +relationship: has_role CHEBI:17654 ! electron acceptor +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:63248 ! oxidising agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor + +[Term] +id: CHEBI:15344 +name: acetoacetic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid +is_a: CHEBI:73693 ! ketone body +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15345 +name: acetoacetyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15346 +name: coenzyme A +is_a: CHEBI:37240 ! adenosine 3',5'-bisphosphate +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15347 +name: acetone +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:26292 ! propanones +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:73693 ! ketone body +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor + +[Term] +id: CHEBI:15348 +name: 2-hydroxy-2-methylpropanenitrile +is_a: CHEBI:23437 ! cyanohydrin + +[Term] +id: CHEBI:15349 +name: acetone oxime +is_a: CHEBI:24983 ! ketoxime + +[Term] +id: CHEBI:15350 +name: acetyl dihydrogen phosphate +is_a: CHEBI:16826 ! acyl monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15351 +name: acetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:35224 ! effector +relationship: has_role CHEBI:62049 ! acyl donor +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15353 +name: blasticidin S +is_a: CHEBI:22905 ! blasticidin +is_a: CHEBI:86478 ! antibiotic antifungal agent +relationship: has_role CHEBI:24127 ! fungicide +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:15354 +name: choline +is_a: CHEBI:23217 ! cholines +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:33284 ! nutrient +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:15355 +name: acetylcholine +is_a: CHEBI:35287 ! acylcholine +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:24621 ! hormone +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:38325 ! muscarinic agonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15356 +name: cysteine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:50326 ! sulfanylmethyl group +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15357 +name: acetylenedicarboxylate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:15358 +name: histone +is_a: CHEBI:36080 ! protein + +[Term] +id: CHEBI:15360 +name: acetylpyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:15361 +name: pyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15362 +name: hydroxyacetone phosphate +is_a: CHEBI:36948 ! oxoalkyl phosphate + +[Term] +id: CHEBI:15363 +name: N-acetylindoxyl +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75884 ! N-acylindole +is_a: CHEBI:84729 ! hydroxyindoles + +[Term] +id: CHEBI:15364 +name: propynoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:61380 ! acetylenic fatty acid anion + +[Term] +id: CHEBI:15365 +name: acetylsalicylic acid +is_a: CHEBI:140310 ! phenyl acetates +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:26596 ! salicylates +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:35493 ! antipyretic +relationship: has_role CHEBI:49023 ! prostaglandin antagonist +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor +relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:73182 ! plant activator +relationship: has_role CHEBI:77425 ! EC 1.1.1.188 (prostaglandin-F synthase) inhibitor +relationship: has_role CHEBI:88188 ! drug allergen + +[Term] +id: CHEBI:15366 +name: acetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:48356 ! protic solvent +relationship: has_role CHEBI:64049 ! food acidity regulator +relationship: has_role CHEBI:65256 ! antimicrobial food preservative +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:15367 +name: all-trans-retinoic acid +is_a: CHEBI:26536 ! retinoic acid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50176 ! keratolytic drug +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:63794 ! retinoid X receptor agonist +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:67198 ! retinoic acid receptor agonist +relationship: has_role CHEBI:67199 ! AP-1 antagonist +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15368 +name: acrolein +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:15369 +name: actinomycin +is_a: CHEBI:23239 ! chromopeptide + +[Term] +id: CHEBI:15371 +name: 3-oxopristanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA + +[Term] +id: CHEBI:15372 +name: 5,6,7,8-tetrahydrobiopterin +is_a: CHEBI:22881 ! biopterins +is_a: CHEBI:23824 ! diol +is_a: CHEBI:30436 ! tetrahydropterin +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:26348 ! prosthetic group +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15373 +name: biopterin +is_a: CHEBI:22881 ! biopterins +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15374 +name: 4a-hydroxytetrahydrobiopterin +is_a: CHEBI:30436 ! tetrahydropterin +is_a: CHEBI:73080 ! hemiaminal +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15375 +name: D-erythro-7,8-dihydrobiopterin +is_a: CHEBI:64277 ! 7,8-dihydrobiopterin + +[Term] +id: CHEBI:15377 +name: water +is_a: CHEBI:33693 ! oxygen hydride +is_a: CHEBI:37176 ! mononuclear parent hydride +is_a: CHEBI:52625 ! inorganic hydroxy compound +relationship: has_role CHEBI:48360 ! amphiprotic solvent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76413 ! greenhouse gas +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15378 +name: hydron +is_a: CHEBI:25414 ! monoatomic monocation +is_a: CHEBI:33251 ! monoatomic hydrogen +is_a: CHEBI:33252 ! atomic nucleus +is_a: CHEBI:60242 ! monovalent inorganic cation + +[Term] +id: CHEBI:15379 +name: dioxygen +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:25362 ! elemental molecule +is_a: CHEBI:33263 ! diatomic oxygen +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:33284 ! nutrient +relationship: has_role CHEBI:33893 ! reagent +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:63248 ! oxidising agent +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:77974 ! food packaging gas + +[Term] +id: CHEBI:15380 +name: succinyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA +relationship: has_role CHEBI:35222 ! inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15382 +name: (4R)-limonene +is_a: CHEBI:15384 ! limonene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15383 +name: (4S)-limonene +is_a: CHEBI:15384 ! limonene + +[Term] +id: CHEBI:15384 +name: limonene +is_a: CHEBI:33643 ! cycloalkene +is_a: CHEBI:35187 ! monoterpene +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15385 +name: (+)-delta-cadinene +is_a: CHEBI:140564 ! delta-cadinene +is_a: CHEBI:22976 ! cadinene + +[Term] +id: CHEBI:15386 +name: (3S,4R)-3,4-dihydrophenanthrene-3,4-diol +is_a: CHEBI:23286 ! cis-3,4-dihydrophenanthrene-3,4-diol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15387 +name: (+)-cis-sabinol +is_a: CHEBI:26590 ! sabinol + +[Term] +id: CHEBI:15388 +name: (+)-trans-carveol +is_a: CHEBI:23046 ! carveol + +[Term] +id: CHEBI:15389 +name: (-)-trans-carveol +is_a: CHEBI:23046 ! carveol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15390 +name: (+)-bisdechlorogeodin +is_a: CHEBI:22899 ! bisdechlorogeodin + +[Term] +id: CHEBI:15391 +name: (-)-bisdechlorogeodin +is_a: CHEBI:22899 ! bisdechlorogeodin + +[Term] +id: CHEBI:15392 +name: (1R)-bornane-2,5-dione +is_a: CHEBI:36775 ! bornane-2,5-dione + +[Term] +id: CHEBI:15393 +name: (+)-borneol +is_a: CHEBI:28093 ! borneol + +[Term] +id: CHEBI:15394 +name: (-)-borneol +is_a: CHEBI:28093 ! borneol + +[Term] +id: CHEBI:15395 +name: (+)-bornyl diphosphate +is_a: CHEBI:22912 ! bornane monoterpenoid +is_a: CHEBI:25412 ! monoterpenyl phosphate + +[Term] +id: CHEBI:15396 +name: (R)-camphor +is_a: CHEBI:36773 ! camphor + +[Term] +id: CHEBI:15397 +name: (S)-camphor +is_a: CHEBI:36773 ! camphor + +[Term] +id: CHEBI:15398 +name: (+)-exo-5-hydroxycamphor +is_a: CHEBI:20570 ! 5-hydroxycamphor + +[Term] +id: CHEBI:15399 +name: (+)-carvone +is_a: CHEBI:38265 ! carvone + +[Term] +id: CHEBI:154 +name: (+)-dihydrocarvone +is_a: CHEBI:23733 ! dihydrocarvone + +[Term] +id: CHEBI:15400 +name: (-)-carvone +is_a: CHEBI:38265 ! carvone + +[Term] +id: CHEBI:15401 +name: (+)-dihydrokaempferol +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:38742 ! tetrahydroxyflavanone +is_a: CHEBI:48039 ! dihydroflavonols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15402 +name: (+)-neomenthol +is_a: CHEBI:25187 ! p-menthan-3-ol + +[Term] +id: CHEBI:15403 +name: (+)-sabinone +is_a: CHEBI:25186 ! p-menthane monoterpenoid +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:15404 +name: (-)-homoisocitrate(3-) +is_a: CHEBI:30904 ! homoisocitrate(3-) + +[Term] +id: CHEBI:15405 +name: (-)-endo-fenchol +is_a: CHEBI:36739 ! fenchane monoterpenoid +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15406 +name: (-)-trans-isopiperitenol +is_a: CHEBI:24911 ! isopiperitenol + +[Term] +id: CHEBI:15407 +name: (-)-ephedrine +is_a: CHEBI:25990 ! phenylethanolamines +is_a: CHEBI:38605 ! phenethylamine alkaloid +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50514 ! vasoconstrictor agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77715 ! nasal decongestant +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:15408 +name: (-)-isopiperitenone +is_a: CHEBI:50110 ! isopiperitenone + +[Term] +id: CHEBI:15409 +name: (-)-menthol +is_a: CHEBI:25187 ! p-menthan-3-ol +relationship: has_role CHEBI:51177 ! antitussive +relationship: has_role CHEBI:53784 ! antispasmodic drug +relationship: has_role CHEBI:59683 ! antipruritic drug + +[Term] +id: CHEBI:15410 +name: (-)-menthone +is_a: CHEBI:36503 ! menthone + +[Term] +id: CHEBI:15411 +name: (-)-menthyl beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:15412 +name: (-)-ureidoglycolic acid +is_a: CHEBI:49050 ! ureidoglycolic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15413 +name: 2',4,4',6'-tetrahydroxychalcone +is_a: CHEBI:23086 ! chalcones +is_a: CHEBI:26195 ! polyphenol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50857 ! anti-allergic agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent + +[Term] +id: CHEBI:15414 +name: S-adenosyl-L-methionine +is_a: CHEBI:26830 ! sulfonium compound +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15415 +name: ent-kaurene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:15416 +name: ent-kaur-16-en-19-ol +is_a: CHEBI:36760 ! ent-kaurane diterpenoid + +[Term] +id: CHEBI:15417 +name: ent-kaur-16-en-19-oic acid +is_a: CHEBI:36760 ! ent-kaurane diterpenoid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:64947 ! anti-HIV-1 agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15418 +name: ent-kaur-16-en-19-al +is_a: CHEBI:36760 ! ent-kaurane diterpenoid + +[Term] +id: CHEBI:15419 +name: ent-7alpha-hydroxykaur-16-en-19-oic acid +is_a: CHEBI:36760 ! ent-kaurane diterpenoid + +[Term] +id: CHEBI:15420 +name: perillyl alcohol +is_a: CHEBI:25040 ! limonene monoterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15421 +name: perillyl aldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15422 +name: ATP +is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15423 +name: clavaminic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:15424 +name: dihydroclavaminic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:15425 +name: proclavaminic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38777 ! azetidines + +[Term] +id: CHEBI:15426 +name: deoxyamidinoproclavaminic acid +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35627 ! beta-lactam +is_a: CHEBI:83965 ! L-arginine derivative + +[Term] +id: CHEBI:15427 +name: N(2)-(2-carboxyethyl)-L-arginine +is_a: CHEBI:22440 ! alpha-N-substituted L-arginine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:36164 ! amino dicarboxylic acid + +[Term] +id: CHEBI:15428 +name: glycine +is_a: CHEBI:26650 ! serine family amino acid +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:64570 ! EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor +relationship: has_role CHEBI:64571 ! NMDA receptor agonist +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15429 +name: hydroxylamine +is_a: CHEBI:24709 ! hydroxylamines +relationship: has_role CHEBI:50566 ! nitric oxide donor +relationship: has_role CHEBI:59740 ! nucleophilic reagent +relationship: has_role CHEBI:63156 ! EC 1.1.3.13 (alcohol oxidase) inhibitor +relationship: has_role CHEBI:63157 ! EC 4.2.1.22 (cystathionine beta-synthase) inhibitor +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:77090 ! EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15430 +name: protoporphyrin +is_a: CHEBI:26361 ! protoporphyrins +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15431 +name: magnesium protoporphyrin +is_a: CHEBI:25111 ! magnesium porphyrin +is_a: CHEBI:36158 ! metalloprotoporphyrin + +[Term] +id: CHEBI:15432 +name: magnesium protoporphyrin 13-monomethyl ester +is_a: CHEBI:25111 ! magnesium porphyrin +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:15433 +name: magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester +is_a: CHEBI:25111 ! magnesium porphyrin +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:15434 +name: magnesium 13(1)-hydroxyprotoporphyrin 13-monomethyl ester +is_a: CHEBI:25111 ! magnesium porphyrin +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:15435 +name: protoporphyrinogen +is_a: CHEBI:36321 ! porphyrinogens +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15437 +name: uroporphyrinogen III +is_a: CHEBI:27258 ! uroporphyrinogen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15438 +name: coproporphyrinogen +is_a: CHEBI:35742 ! tetracarboxylic acid +is_a: CHEBI:36321 ! porphyrinogens + +[Term] +id: CHEBI:15439 +name: coproporphyrinogen III +is_a: CHEBI:15438 ! coproporphyrinogen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15440 +name: squalene +is_a: CHEBI:35191 ! triterpene +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15441 +name: (S)-2,3-epoxysqualene +is_a: CHEBI:78662 ! 2,3-epoxysqualene +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15442 +name: presqualene diphosphate +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:36780 ! triterpenyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15443 +name: inulin +is_a: CHEBI:29084 ! (2->1)-beta-D-fructan + +[Term] +id: CHEBI:15444 +name: (1->4)-alpha-D-glucan +is_a: CHEBI:22385 ! alpha-D-glucan + +[Term] +id: CHEBI:15446 +name: [(1->4)-alpha-D-galacturonosyl]n +is_a: CHEBI:37165 ! galactan + +[Term] +id: CHEBI:15447 +name: (1->4)-beta-D-xylan +is_a: CHEBI:37166 ! xylan +is_a: CHEBI:61266 ! hemicellulose + +[Term] +id: CHEBI:15448 +name: (1-hydroxycyclohexyl)acetyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:15449 +name: (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:24685 ! hydroxybutanoyl-CoA +is_a: CHEBI:25286 ! methylbutanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15450 +name: (2R)-2-methylacyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA + +[Term] +id: CHEBI:15451 +name: (2S)-2-methylacyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA + +[Term] +id: CHEBI:15452 +name: (R)-3-hydroxybutanoyl-CoA +is_a: CHEBI:37050 ! 3-hydroxybutanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15453 +name: (S)-3-hydroxybutanoyl-CoA +is_a: CHEBI:37050 ! 3-hydroxybutanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15454 +name: (3S)-3-carboxy-3-hydroxypropanoyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA + +[Term] +id: CHEBI:15455 +name: (S)-3-hydroxyacyl-CoA +is_a: CHEBI:65260 ! 3-hydroxyacyl-CoA + +[Term] +id: CHEBI:15456 +name: (R)-3-hydroxyacyl-CoA +is_a: CHEBI:65260 ! 3-hydroxyacyl-CoA + +[Term] +id: CHEBI:15457 +name: citramalyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:15459 +name: (3S)-citryl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA + +[Term] +id: CHEBI:15460 +name: trans-tetradec-11-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:52831 ! Delta(11)-fatty acyl-CoA + +[Term] +id: CHEBI:15461 +name: cis-tetradec-11-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:26900 ! tetradecenoyl-CoA +is_a: CHEBI:52831 ! Delta(11)-fatty acyl-CoA + +[Term] +id: CHEBI:15463 +name: cinnamoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15464 +name: (E,E)-piperonyl-CoA +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:15465 +name: (R)-methylmalonyl-CoA +is_a: CHEBI:16625 ! methylmalonyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15466 +name: (S)-methylmalonyl-CoA +is_a: CHEBI:16625 ! methylmalonyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15467 +name: (3S)-3-hydroxy-3-methylglutaryl-CoA +is_a: CHEBI:11814 ! 3-hydroxy-3-methylglutaryl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15468 +name: 3'-dephospho-CoA +is_a: CHEBI:37096 ! adenosine 5'-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15469 +name: alk-2-enoyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:1547 +name: 3-hydroxykynurenine +is_a: CHEBI:86497 ! hydroxykynurenine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15470 +name: 2,4-dichlorobenzoyl-CoA +is_a: CHEBI:23698 ! dichlorobenzoyl-CoA + +[Term] +id: CHEBI:15471 +name: trans-dodec-2-enoyl-CoA +is_a: CHEBI:23869 ! dodecenoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15472 +name: anthraniloyl-CoA +is_a: CHEBI:22736 ! benzoyl-CoAs + +[Term] +id: CHEBI:15473 +name: crotonoyl-CoA +is_a: CHEBI:36926 ! but-2-enoyl-CoA + +[Term] +id: CHEBI:15474 +name: 2-furoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15475 +name: 2-hydroxyphytanoyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA + +[Term] +id: CHEBI:15476 +name: 2-methylacetoacetyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15477 +name: 2-methylbutanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:15478 +name: 2-methylcrotonoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:15479 +name: isobutyryl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15480 +name: 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:15481 +name: 3-hydroxy-2-methylpropanoyl-CoA +is_a: CHEBI:25336 ! methylpropanoyl-CoA + +[Term] +id: CHEBI:15483 +name: 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA +is_a: CHEBI:24333 ! glutaryl-CoAs + +[Term] +id: CHEBI:15484 +name: 3-hydroxybenzoyl-CoA +is_a: CHEBI:24678 ! hydroxybenzoyl-CoA + +[Term] +id: CHEBI:15485 +name: 3-hydroxypimeloyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15486 +name: 3-methylbut-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15487 +name: isovaleryl-CoA +is_a: CHEBI:25286 ! methylbutanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15488 +name: trans-3-methylglutaconyl-CoA +is_a: CHEBI:24311 ! glutaconyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15489 +name: 3-oxo-fatty acyl-CoA +is_a: CHEBI:61903 ! oxo-fatty acyl-CoA + +[Term] +id: CHEBI:1549 +name: 3-hydroxymonocarboxylic acid +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:15490 +name: 3-oxoadipyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15491 +name: 3-oxopalmitoyl-CoA +is_a: CHEBI:137599 ! long-chain 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15492 +name: 3-oxopimeloyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15493 +name: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:23197 ! cholestanoyl-CoA +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15494 +name: 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:23197 ! cholestanoyl-CoA +relationship: has_role CHEBI:48887 ! bile acid metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15495 +name: 4,8,12-trimethyltridecanoyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA + +[Term] +id: CHEBI:15496 +name: 4-aminobutanoyl-CoA +is_a: CHEBI:22500 ! aminobutanoyl-CoA + +[Term] +id: CHEBI:15497 +name: trans-4-carboxybut-2-enoyl-CoA +is_a: CHEBI:24311 ! glutaconyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15498 +name: 4-chlorobenzoyl-CoA +is_a: CHEBI:23136 ! chlorobenzoyl-CoA +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:15499 +name: 4-coumaroyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:155 +name: (-)-isodihydrocarvone +is_a: CHEBI:23733 ! dihydrocarvone + +[Term] +id: CHEBI:15500 +name: 4-hydroxybenzoyl-CoA +is_a: CHEBI:24678 ! hydroxybenzoyl-CoA + +[Term] +id: CHEBI:15501 +name: 5-hydroxypentanoyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:15502 +name: 5-hydroxythiophene-2-carbonyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15503 +name: 2,3-didehydropimeloyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:15504 +name: pimeloyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15505 +name: 6-hydroxycyclohex-1-ene-1-carbonyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:15507 +name: beta-alanyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15508 +name: gamma-linolenoyl-CoA +is_a: CHEBI:139576 ! octadecatrienoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15509 +name: 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15510 +name: 5-hydroxy-2-furoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15511 +name: trans-feruloyl-CoA +is_a: CHEBI:14261 ! feruloyl-CoA + +[Term] +id: CHEBI:15512 +name: L-3-aminobutanoyl-CoA +is_a: CHEBI:28317 ! 3-aminobutyryl-CoA + +[Term] +id: CHEBI:15513 +name: acryloyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15514 +name: arachidonoyl-CoA +is_a: CHEBI:15843 ! arachidonic acid +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:64985 ! bioconjugate +is_a: CHEBI:76180 ! arachidonoyl bioconjugate + +[Term] +id: CHEBI:15515 +name: benzoyl-CoA +is_a: CHEBI:22736 ! benzoyl-CoAs +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15516 +name: biotinyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15517 +name: butyryl-CoA +is_a: CHEBI:22954 ! butanoyl-CoAs +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15518 +name: caffeoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15519 +name: choloyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs + +[Term] +id: CHEBI:15520 +name: cyclohexa-1,5-diene-1-carbonyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:15521 +name: lauroyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15522 +name: formyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15523 +name: cis-geranoyl-CoA +is_a: CHEBI:27803 ! cis-2-enoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15524 +name: glutaryl-CoA +is_a: CHEBI:24333 ! glutaryl-CoAs +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15525 +name: palmitoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:65122 ! 3-substituted propionyl-CoA +is_a: CHEBI:76194 ! palmitoyl bioconjugate +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15527 +name: icosanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15528 +name: itaconyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:20012 ! 3-enoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15529 +name: lactoyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:15530 +name: linoleoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA +is_a: CHEBI:76186 ! linoleoyl bioconjugate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15531 +name: malonyl-CoA +is_a: CHEBI:25136 ! malonyl-CoAs +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:63158 ! EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15532 +name: myristoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15533 +name: octanoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15534 +name: oleoyl-CoA +is_a: CHEBI:139574 ! octadecenoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15535 +name: oxalyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15536 +name: pentanoyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:15537 +name: phenylacetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15538 +name: phytanoyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA + +[Term] +id: CHEBI:15539 +name: propionyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15540 +name: sinapoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA + +[Term] +id: CHEBI:15541 +name: stearoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15542 +name: thiophene-2-carbonyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:15543 +name: vinylacetyl-CoA +is_a: CHEBI:22961 ! butenoyl-CoA + +[Term] +id: CHEBI:15544 +name: prostaglandin E1 +is_a: CHEBI:26338 ! prostaglandins E +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15545 +name: prostaglandin A1 +is_a: CHEBI:26334 ! prostaglandins A + +[Term] +id: CHEBI:15546 +name: prostaglandin C1 +is_a: CHEBI:26336 ! prostaglandins C + +[Term] +id: CHEBI:15547 +name: 15-dehydro-prostaglandin E2 +is_a: CHEBI:26338 ! prostaglandins E + +[Term] +id: CHEBI:15548 +name: 15-dehydro-prostaglandin E1 +is_a: CHEBI:26338 ! prostaglandins E + +[Term] +id: CHEBI:15550 +name: 13,14-dihydro-15-oxo-prostaglandin E2 +is_a: CHEBI:26338 ! prostaglandins E + +[Term] +id: CHEBI:15551 +name: prostaglandin E2 +is_a: CHEBI:26338 ! prostaglandins E +relationship: has_role CHEBI:36063 ! oxytocic +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15552 +name: prostaglandin I2 +is_a: CHEBI:26345 ! prostaglandins I +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15553 +name: prostaglandin F2alpha +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:36066 ! prostaglandins Falpha +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15554 +name: prostaglandin H2 +is_a: CHEBI:26344 ! prostaglandins H +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:61121 ! oxylipin +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15555 +name: prostaglandin D2 +is_a: CHEBI:26337 ! prostaglandins D +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15556 +name: 15-dehydro-prostaglandin I2 +is_a: CHEBI:26345 ! prostaglandins I + +[Term] +id: CHEBI:15557 +name: 15-dehydro-prostaglandin D2 +is_a: CHEBI:26337 ! prostaglandins D + +[Term] +id: CHEBI:15558 +name: 15(S)-HETE +is_a: CHEBI:64017 ! (5Z,8Z,11Z,13E)-15-HETE +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15559 +name: 15-oxo-ETE +is_a: CHEBI:61704 ! oxoicosatetraenoic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15560 +name: (15Z)-12-oxophyto-10,15-dienoic acid +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:27208 ! unsaturated fatty acid +is_a: CHEBI:35744 ! carbocyclic fatty acid + +[Term] +id: CHEBI:15561 +name: cis-1,2-dihydronaphthalene-1,2-diol +is_a: CHEBI:28516 ! 1,2-dihydronaphthalene-1,2-diol + +[Term] +id: CHEBI:15562 +name: D-threo-isocitrate(3-) +is_a: CHEBI:16087 ! isocitrate(3-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15563 +name: D-erythro-isocitrate(3-) +is_a: CHEBI:16087 ! isocitrate(3-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15564 +name: (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid +is_a: CHEBI:36194 ! cyclohexadienedicarboxylic acid + +[Term] +id: CHEBI:15565 +name: (1S,2R)-3-methylcyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:23469 ! cyclohexadienediol + +[Term] +id: CHEBI:15566 +name: (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:15567 +name: (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:15568 +name: (R)-2-halocarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:15569 +name: N-(carboxyaminomethyl)urea +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:15570 +name: D-alanine +is_a: CHEBI:16449 ! alanine +is_a: CHEBI:16733 ! D-alpha-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor + +[Term] +id: CHEBI:15571 +name: hydrazine +is_a: CHEBI:24631 ! hydrazines +is_a: CHEBI:35107 ! azane +relationship: has_role CHEBI:77090 ! EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor + +[Term] +id: CHEBI:15572 +name: 2,3-dihydroxybenzoyl 5'-adenylate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15573 +name: (2-aminoethyl)phosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15574 +name: nuatigenin +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:26606 ! sapogenin + +[Term] +id: CHEBI:15575 +name: nuatigenin 3-beta-D-glucopyranoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:15576 +name: (24R)-24-methylcycloart-25-en-3beta-ol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:15577 +name: (3beta,24R,24'R)-fucosterol epoxide +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:32955 ! epoxide + +[Term] +id: CHEBI:15578 +name: (25S)-5beta-spirostan-3beta-ol +is_a: CHEBI:26606 ! sapogenin + +[Term] +id: CHEBI:15579 +name: (25S)-5beta-spirostan-3beta-yl beta-D-glucoside +is_a: CHEBI:37424 ! sterol 3-beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:15580 +name: (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:15581 +name: juvenile hormone II +is_a: CHEBI:24943 ! juvenile hormone +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:4986 ! fatty acid methyl ester +is_a: CHEBI:51702 ! enoate ester + +[Term] +id: CHEBI:15582 +name: (2R,3S)-2,3-dimethylmalic acid +is_a: CHEBI:15590 ! 2,3-dimethylmalic acid + +[Term] +id: CHEBI:15583 +name: (R)-2-ethylmalic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:15584 +name: citramalic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15586 +name: D-citramalic acid +is_a: CHEBI:15584 ! citramalic acid + +[Term] +id: CHEBI:15587 +name: (R)-3,3-dimethylmalic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:15588 +name: (R)-malate(2-) +is_a: CHEBI:15595 ! malate(2-) + +[Term] +id: CHEBI:15589 +name: (S)-malate(2-) +is_a: CHEBI:15595 ! malate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15590 +name: 2,3-dimethylmalic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:15591 +name: 3-ethylmalic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:15592 +name: 3-isopropylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:15593 +name: 3-oxalomalate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:15594 +name: 3-propylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:15595 +name: malate(2-) +is_a: CHEBI:25115 ! malate +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15596 +name: sinapic acid (S)-malate ester +is_a: CHEBI:36188 ! malate ester + +[Term] +id: CHEBI:15597 +name: (2R)-2-O-phosphonato-3-sulfonatolactate(4-) +is_a: CHEBI:61693 ! carboxyalkyl phosphate oxoanion + +[Term] +id: CHEBI:15598 +name: 2-methylcitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15599 +name: cis-3-phenylcyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:48949 ! 3-phenylcyclohexa-3,5-diene-1,2-diol + +[Term] +id: CHEBI:15600 +name: (+)-catechin +is_a: CHEBI:23053 ! catechin +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15601 +name: (2R,4S)-2,4-diaminopentanoate +is_a: CHEBI:16594 ! 2,4-diaminopentanoate + +[Term] +id: CHEBI:15602 +name: (2S)-2-[(R)-1-carboxyethylamino]pentanoate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:15603 +name: L-leucine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:25017 ! leucine +is_a: CHEBI:26463 ! pyruvate family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15604 +name: (3R)-beta-leucine +is_a: CHEBI:72772 ! beta-leucine + +[Term] +id: CHEBI:15605 +name: (2S)-flavan-4-ol +is_a: CHEBI:72010 ! hydroxyflavan + +[Term] +id: CHEBI:15606 +name: (2S)-flavanone +is_a: CHEBI:5070 ! flavanone + +[Term] +id: CHEBI:15607 +name: (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid +is_a: CHEBI:25311 ! methylisocitric acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15608 +name: (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:15609 +name: N-(aminomethyl)urea +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:15610 +name: gibberellin A12 aldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:20859 ! C20-gibberellin + +[Term] +id: CHEBI:15611 +name: sarcosine +is_a: CHEBI:21760 ! N-methyl-amino acid +is_a: CHEBI:21766 ! N-methylglycines +is_a: CHEBI:66933 ! N-alkylglycine +relationship: has_role CHEBI:64588 ! glycine transporter 1 inhibitor +relationship: has_role CHEBI:64589 ! glycine receptor agonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15613 +name: (3S)-3,6-diaminohexanoic acid +is_a: CHEBI:33706 ! beta-amino acid +is_a: CHEBI:35987 ! diamino acid + +[Term] +id: CHEBI:15614 +name: (S)-3-methyl-2-oxovaleric acid +is_a: CHEBI:35932 ! 3-methyl-2-oxovaleric acid + +[Term] +id: CHEBI:15615 +name: (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:15616 +name: (3S,5S)-3,5-diaminohexanoic acid +is_a: CHEBI:33706 ! beta-amino acid +is_a: CHEBI:35987 ! diamino acid + +[Term] +id: CHEBI:15617 +name: (2R,3Z)-phycocyanobilin +is_a: CHEBI:47955 ! (2R)-phycocyanobilin + +[Term] +id: CHEBI:15618 +name: (3Z)-phycoerythrobilin +is_a: CHEBI:36741 ! phycoerythrobilin + +[Term] +id: CHEBI:15619 +name: (3Z)-phytochromobilin +is_a: CHEBI:26116 ! phytochromobilin + +[Term] +id: CHEBI:15620 +name: N-ethylglycine +is_a: CHEBI:66933 ! N-alkylglycine + +[Term] +id: CHEBI:15621 +name: (4-hydroxyphenyl)acetaldehyde +is_a: CHEBI:25973 ! phenylacetaldehydes +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15622 +name: 2,3-diketogulonic acid +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid +is_a: CHEBI:51869 ! alpha-diketone +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15623 +name: 3-deoxy-D-glycero-hexo-2,5-diulosonic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid + +[Term] +id: CHEBI:15624 +name: (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:35951 ! dioxo monocarboxylic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:15625 +name: S-adenosylmethioninamine +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:26830 ! sulfonium compound +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15626 +name: 12(S)-HPETE +is_a: CHEBI:24644 ! HPETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15627 +name: thromboxane A2 +is_a: CHEBI:23931 ! epoxy monocarboxylic acid +is_a: CHEBI:36088 ! thromboxanes A +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15628 +name: 15(S)-HPETE +is_a: CHEBI:91271 ! 15-HPETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15629 +name: 8(R)-HPETE +is_a: CHEBI:24644 ! HPETE + +[Term] +id: CHEBI:15630 +name: (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:15631 +name: (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:15632 +name: 5(S)-HPETE +is_a: CHEBI:91268 ! 5-HPETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15633 +name: dihydrofolic acid +is_a: CHEBI:23743 ! dihydrofolic acids +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15634 +name: 10-formyldihydrofolic acid +is_a: CHEBI:23743 ! dihydrofolic acids + +[Term] +id: CHEBI:15635 +name: (6S)-5,6,7,8-tetrahydrofolic acid +is_a: CHEBI:20506 ! 5,6,7,8-tetrahydrofolic acid + +[Term] +id: CHEBI:15636 +name: (6R)-5,10-methylenetetrahydrofolate(2-) +is_a: CHEBI:12071 ! 5,10-methylenetetrahydrofolate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15637 +name: 10-formyltetrahydrofolic acid +is_a: CHEBI:24099 ! formyltetrahydrofolic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15638 +name: (6R)-5,10-methenyltetrahydrofolic acid +is_a: CHEBI:25297 ! methylenetetrahydrofolic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15639 +name: 5-formimidoyltetrahydrofolic acid +is_a: CHEBI:24085 ! formimidoyltetrahydrofolic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15640 +name: 5-formyltetrahydrofolic acid +is_a: CHEBI:24099 ! formyltetrahydrofolic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15641 +name: 5-methyltetrahydrofolic acid +is_a: CHEBI:26907 ! tetrahydrofolic acid + +[Term] +id: CHEBI:15642 +name: 4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin +is_a: CHEBI:15374 ! 4a-hydroxytetrahydrobiopterin + +[Term] +id: CHEBI:15644 +name: (S)-NADHX(1+) +is_a: CHEBI:26916 ! tetrahydronicotinamide adenine dinucleotide + +[Term] +id: CHEBI:15645 +name: (6S)-6-hydroxyhyoscyamine +is_a: CHEBI:32876 ! tertiary amine + +[Term] +id: CHEBI:15646 +name: 20-hydroxy-leukotriene B4 +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15647 +name: leukotriene B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15648 +name: (6aR,11aR)-3,9-dihydroxypterocarpan +is_a: CHEBI:26377 ! pterocarpans + +[Term] +id: CHEBI:15649 +name: 3,6,9-trihydroxypterocarpan +is_a: CHEBI:26377 ! pterocarpans +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:15650 +name: leukotriene E4 +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:15651 +name: leukotriene A4 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:61121 ! oxylipin +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15652 +name: 5'-xanthylic acid +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:53012 ! xanthosine 5'-phosphate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15653 +name: (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:15655 +name: 13(S)-HPODE +is_a: CHEBI:91272 ! 13-HPODE +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15657 +name: (11S)-11-hydroperoxylinoleic acid +is_a: CHEBI:78013 ! linoleic acid hydroperoxide + +[Term] +id: CHEBI:15658 +name: 7(S),8(S)-DiHODE +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:36326 ! octadecanoid + +[Term] +id: CHEBI:15659 +name: (E)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide +is_a: CHEBI:140324 ! primary carboxamide +is_a: CHEBI:22216 ! acrylamides +is_a: CHEBI:24129 ! furans +is_a: CHEBI:35716 ! C-nitro compound + +[Term] +id: CHEBI:15660 +name: (Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide +is_a: CHEBI:140324 ! primary carboxamide +is_a: CHEBI:22216 ! acrylamides +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:87230 ! nitrofuran antibiotic + +[Term] +id: CHEBI:15661 +name: (2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:15662 +name: (2E)-2,6-dimethylocta-2,7-diene-1,6-diol +is_a: CHEBI:25636 ! octadienediol + +[Term] +id: CHEBI:15663 +name: (2E)-3-(methoxycarbonyl)pent-2-enedioic acid +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15664 +name: (2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate +is_a: CHEBI:26250 ! prenol phosphate +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59544 ! phosphoantigen +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15665 +name: (4-hydroxyphenyl)acetaldehyde oxime +is_a: CHEBI:24731 ! hydroxyphenylacetaldehyde oxime + +[Term] +id: CHEBI:15666 +name: (E)-(4-hydroxyphenyl)acetaldehyde oxime +is_a: CHEBI:15665 ! (4-hydroxyphenyl)acetaldehyde oxime + +[Term] +id: CHEBI:15667 +name: (Z)-(4-hydroxyphenyl)acetaldehyde oxime +is_a: CHEBI:15665 ! (4-hydroxyphenyl)acetaldehyde oxime + +[Term] +id: CHEBI:15668 +name: (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:15669 +name: trans-cinnamate +is_a: CHEBI:23248 ! cinnamate + +[Term] +id: CHEBI:15670 +name: (E)-glutaconic acid +is_a: CHEBI:24309 ! glutaconic acid + +[Term] +id: CHEBI:15671 +name: L-tartaric acid +is_a: CHEBI:26849 ! tartaric acid + +[Term] +id: CHEBI:15672 +name: D-tartaric acid +is_a: CHEBI:26849 ! tartaric acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15673 +name: meso-tartaric acid +is_a: CHEBI:15674 ! 2,3-dihydroxybutanedioic acid + +[Term] +id: CHEBI:15674 +name: 2,3-dihydroxybutanedioic acid +is_a: CHEBI:26933 ! tetraric acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:15675 +name: (2R)-1-aminopropan-2-ol +is_a: CHEBI:19030 ! 1-aminopropan-2-ol + +[Term] +id: CHEBI:15676 +name: allantoin +is_a: CHEBI:24628 ! imidazolidine-2,4-dione +is_a: CHEBI:47857 ! ureas +relationship: has_role CHEBI:73336 ! vulnerary +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15677 +name: (R)-(-)-allantoin +is_a: CHEBI:15676 ! allantoin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15678 +name: (S)-(+)-allantoin +is_a: CHEBI:15676 ! allantoin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15679 +name: alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:36508 ! glycotriaosylceramide + +[Term] +id: CHEBI:15681 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:79209 ! alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15682 +name: (N(omega)-L-arginino)succinic acid +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83965 ! L-arginine derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15683 +name: (R)-10-hydroxyoctadecanoate +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:15684 +name: (R)-2,3-dihydroxy-3-methylbutanoic acid +is_a: CHEBI:15689 ! 2,3-dihydroxy-3-methylbutanoic acid + +[Term] +id: CHEBI:15685 +name: L-2-succinylamino-6-oxoheptanedioate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:15686 +name: (R)-acetoin +is_a: CHEBI:15688 ! acetoin +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:15687 +name: (S)-acetoin +is_a: CHEBI:15688 ! acetoin + +[Term] +id: CHEBI:15688 +name: acetoin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15689 +name: 2,3-dihydroxy-3-methylbutanoic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:15690 +name: 20-hydroxy-3-oxopregn-4-en-21-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:36854 ! 20-hydroxy steroid +is_a: CHEBI:36886 ! 21-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:15692 +name: 3'-demethylstaurosporine +is_a: CHEBI:37697 ! indolocarbazole alkaloid + +[Term] +id: CHEBI:15693 +name: aldose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:15694 +name: (R)-S-lactoylglutathione +is_a: CHEBI:24337 ! glutathione derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15695 +name: D-4-hydroxyphenylglycine +is_a: CHEBI:50418 ! 4-hydroxyphenylglycine + +[Term] +id: CHEBI:15696 +name: beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:15698 +name: 2'-deoxycytidine +is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15699 +name: L-homoserine +is_a: CHEBI:30653 ! homoserine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15700 +name: dTDP-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15702 +name: terephthalic acid +is_a: CHEBI:26094 ! benzenedicarboxylic acid + +[Term] +id: CHEBI:15703 +name: alpha-maltose 6'-phosphate +is_a: CHEBI:111006 ! maltose 6'-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15704 +name: 6-alkylamino-7-beta-D-glucosylpurine +is_a: CHEBI:17524 ! 6-alkylaminopurine +is_a: CHEBI:21731 ! N-glycosyl compound + +[Term] +id: CHEBI:15705 +name: L-alpha-amino acid +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15707 +name: 2,6-dioxo-6-phenylhexanoic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid + +[Term] +id: CHEBI:15708 +name: trans-aconitate(3-) +is_a: CHEBI:22210 ! aconitate(3-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15709 +name: xanthotoxol +is_a: CHEBI:52025 ! 8-hydroxyfurocoumarin + +[Term] +id: CHEBI:15710 +name: betaine aldehyde +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76956 ! Aspergillus metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15711 +name: 1D-1-O-(indol-3-yl)acetyl-myo-inositol +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:64426 ! cyclitol ester +is_a: CHEBI:64633 ! indoleacetic acid ester conjugate + +[Term] +id: CHEBI:15712 +name: 2,3-dihydrobiochanin A +is_a: CHEBI:72739 ! hydroxyisoflavanone +is_a: CHEBI:72740 ! methoxyisoflavanone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:15713 +name: UTP +is_a: CHEBI:27232 ! uridine 5'-phosphate +is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15714 +name: trans-sinapic acid +is_a: CHEBI:77131 ! sinapic acid +relationship: has_role CHEBI:64345 ! MALDI matrix material +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15715 +name: streptomycin 3''-phosphate +is_a: CHEBI:26787 ! streptomycin phosphate + +[Term] +id: CHEBI:15716 +name: 12-hydroxydihydrochelirubine +is_a: CHEBI:38517 ! benzophenanthridine alkaloid + +[Term] +id: CHEBI:15717 +name: 4beta-(hydroxymethyl)-4alpha-methyl-5alpha-cholest-7-en-3beta-ol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:15718 +name: 2,3',4,6-tetrahydroxybenzophenone +is_a: CHEBI:24677 ! hydroxybenzophenone + +[Term] +id: CHEBI:15720 +name: 8-[(1R,2R)-3-oxo-2-\{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:15721 +name: sedoheptulose 7-phosphate +is_a: CHEBI:35133 ! ketoheptose phosphate +is_a: CHEBI:63403 ! sedoheptulose derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15723 +name: 1,6-bis-O-galloyl-beta-D-glucose +is_a: CHEBI:24183 ! galloyl beta-D-glucose +is_a: CHEBI:37576 ! gallate ester +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15724 +name: trimethylamine N-oxide +is_a: CHEBI:134363 ! tertiary amine oxide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:25728 ! osmolyte +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15725 +name: trimethylenediamine +is_a: CHEBI:35411 ! alkane-alpha,omega-diamine +relationship: has_role CHEBI:33893 ! reagent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15726 +name: 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:16110 ! 1,2-diacyl-sn-glycero-3-phosphocholine(1+) + +[Term] +id: CHEBI:15727 +name: carnosine +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:15728 +name: 4-guanidinobutanoic acid +is_a: CHEBI:24436 ! guanidines +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:15729 +name: L-ornithine +is_a: CHEBI:18257 ! ornithine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15730 +name: pyruvic oxime +is_a: CHEBI:24983 ! ketoxime + +[Term] +id: CHEBI:15732 +name: phosphonoacetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26069 ! phosphonic acids +relationship: has_role CHEBI:131699 ! EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor +relationship: has_role CHEBI:22587 ! antiviral agent + +[Term] +id: CHEBI:15733 +name: N-methylaniline +is_a: CHEBI:25275 ! methylaniline +is_a: CHEBI:32863 ! secondary amine +is_a: CHEBI:60977 ! phenylalkylamine + +[Term] +id: CHEBI:15734 +name: primary alcohol +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:15735 +name: S-formylmycothiol +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside + +[Term] +id: CHEBI:15737 +name: N-carbamoylsarcosine +is_a: CHEBI:24373 ! glycine derivative + +[Term] +id: CHEBI:15738 +name: staurosporine +is_a: CHEBI:37697 ! indolocarbazole alkaloid +is_a: CHEBI:38165 ! organic heterooctacyclic compound +relationship: has_role CHEBI:37700 ! EC 2.7.11.13 (protein kinase C) inhibitor + +[Term] +id: CHEBI:15739 +name: isopropylamine +is_a: CHEBI:17062 ! primary aliphatic amine +is_a: CHEBI:22331 ! alkylamines + +[Term] +id: CHEBI:15740 +name: formate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15741 +name: succinic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:49201 ! anti-ulcer drug +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:66987 ! radiation protective agent +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15742 +name: pseudotropine +is_a: CHEBI:37332 ! tropane alkaloid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15743 +name: butanal +is_a: CHEBI:22939 ! butanals +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15745 +name: 2-aminomuconic 6-semialdehyde +is_a: CHEBI:38436 ! muconic semialdehyde +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15746 +name: spermine +is_a: CHEBI:39166 ! tetramine +is_a: CHEBI:39474 ! polyazaalkane +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15748 +name: D-glucuronate +is_a: CHEBI:24297 ! glucuronate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15749 +name: 3-carboxy-cis,cis-muconic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:15750 +name: dolichyl diphosphate +is_a: CHEBI:23875 ! dolichol phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15751 +name: ADP alpha-D-glucoside +is_a: CHEBI:17193 ! ADP-aldose +is_a: CHEBI:22390 ! alpha-D-glucoside +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15753 +name: 2-oxoadipic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15754 +name: 3-O-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:24168 ! galactosylglycerol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15755 +name: 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15756 +name: hexadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77119 ! EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15757 +name: (S)-4-amino-5-oxopentanoic acid +is_a: CHEBI:24313 ! glutamic semialdehyde +is_a: CHEBI:33707 ! gamma-amino acid +is_a: CHEBI:35952 ! 5-oxo monocarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15758 +name: leucocyanidin +is_a: CHEBI:60835 ! leucoanthocyanidin + +[Term] +id: CHEBI:15759 +name: 2,3-epoxyphylloquinone +is_a: CHEBI:26127 ! phytylnaphthoquinone + +[Term] +id: CHEBI:15760 +name: tyramine +is_a: CHEBI:25375 ! monoamine molecular messenger +is_a: CHEBI:27175 ! tyramines +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15761 +name: N-methylpyridinium +is_a: CHEBI:25340 ! methylpyridines + +[Term] +id: CHEBI:15763 +name: nicotinic acid D-ribonucleotide +is_a: CHEBI:37008 ! nicotinic acid mononucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15764 +name: anthocyanidin 3,5-diglucoside +is_a: CHEBI:22569 ! anthocyanidin glucoside + +[Term] +id: CHEBI:15765 +name: L-dopa +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:49168 ! dopa +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:35219 ! plant growth retardant +relationship: has_role CHEBI:48407 ! antiparkinson drug +relationship: has_role CHEBI:48560 ! dopaminergic agent +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:59174 ! hapten +relationship: has_role CHEBI:62215 ! allelochemical +relationship: has_role CHEBI:66956 ! antidyskinesia agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15766 +name: N-benzoyl-D-arginine-4-nitroanilide +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:21681 ! N-benzoyl-D-arginines +is_a: CHEBI:35716 ! C-nitro compound + +[Term] +id: CHEBI:15767 +name: dichloromethane +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:23148 ! chloromethanes +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:15768 +name: 3,5-diiodo-L-tyrosine +is_a: CHEBI:23796 ! diiodotyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15769 +name: N-[(R)-4-phosphopantothenoyl]-L-cysteine +is_a: CHEBI:83824 ! L-cysteine derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15770 +name: D-erythritol 4-phosphate +is_a: CHEBI:22294 ! alditol 4-phosphate +is_a: CHEBI:26980 ! tetritol phosphate + +[Term] +id: CHEBI:15771 +name: loganin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38606 ! cyclopentapyran +is_a: CHEBI:50563 ! iridoid monoterpenoid +is_a: CHEBI:51702 ! enoate ester +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor +relationship: has_role CHEBI:74925 ! EC 3.4.23.46 (memapsin 2) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15772 +name: L-dopachrome +is_a: CHEBI:49108 ! dopachrome +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15773 +name: cyclohexylamine +is_a: CHEBI:17062 ! primary aliphatic amine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:15774 +name: dTDP-beta-L-rhamnose +is_a: CHEBI:35452 ! dTDP-L-rhamnose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15775 +name: 3-oxoadipate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:15776 +name: cephalosporin C +is_a: CHEBI:23066 ! cephalosporin +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:15777 +name: 4-oxocyclohexanecarboxylate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:15778 +name: N-acyl-D-amino acid +is_a: CHEBI:51569 ! N-acyl-amino acid +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative + +[Term] +id: CHEBI:15779 +name: N-acyl-D-aspartic acid +is_a: CHEBI:15778 ! N-acyl-D-amino acid +is_a: CHEBI:21654 ! N-acyl-aspartic acid +is_a: CHEBI:83979 ! D-aspartic acid derivative + +[Term] +id: CHEBI:15781 +name: N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine +is_a: CHEBI:21911 ! N(alpha)-methyl-L-histidines +is_a: CHEBI:22860 ! amino-acid betaine + +[Term] +id: CHEBI:15782 +name: viomycin +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +relationship: has_role CHEBI:33231 ! antitubercular agent + +[Term] +id: CHEBI:15783 +name: N,N-dimethyl-1,4-phenylenediamine +is_a: CHEBI:23666 ! diamine +is_a: CHEBI:48975 ! substituted aniline + +[Term] +id: CHEBI:15784 +name: N-acetyl-D-glucosamine 6-phosphate +is_a: CHEBI:15993 ! N-acyl-D-glucosamine 6-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15785 +name: 1-(alk-1-enyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine +is_a: CHEBI:76170 ! olefinic phospholipid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15786 +name: 3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine +is_a: CHEBI:17311 ! N(6),N(6),N(6)-trimethyl-L-lysine +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15787 +name: deoxylimonoic acid D-ring-lactone +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:24129 ! furans +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:39434 ! limonoid + +[Term] +id: CHEBI:15788 +name: 3,5-dichlorocatechol +is_a: CHEBI:23699 ! dichlorocatechol + +[Term] +id: CHEBI:15789 +name: 2'-O-methyllicodione +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:71230 ! dihydrochalcones +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:15791 +name: (S)-2-halocarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:15792 +name: malonate(2-) +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) +relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15793 +name: 3-hydroxyanthranilic acid +is_a: CHEBI:22495 ! aminobenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15794 +name: juglone +is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone +relationship: has_role CHEBI:24527 ! herbicide + +[Term] +id: CHEBI:15795 +name: protoaphin aglucone +is_a: CHEBI:22888 ! biphenyls +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:48129 ! benzoisochromanequinone + +[Term] +id: CHEBI:15799 +name: 1-palmitoyl-sn-glycerol 3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:64023 ! 1-palmitoylglycerol 3-phosphate + +[Term] +id: CHEBI:158 +name: (-)-neodihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite + +[Term] +id: CHEBI:15801 +name: (R)-2-hydroxyglutarate(2-) +is_a: CHEBI:11596 ! 2-hydroxyglutarate(2-) + +[Term] +id: CHEBI:15802 +name: alpha,beta-didehydrotryptophan +is_a: CHEBI:23591 ! dehydroamino acid + +[Term] +id: CHEBI:15805 +name: D-octopine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:83229 ! amino acid opine +is_a: CHEBI:83966 ! D-arginine derivative +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:15807 +name: beta-L-arabinose 1-phosphate +is_a: CHEBI:35423 ! L-arabinose 1-phosphate + +[Term] +id: CHEBI:15808 +name: 12-dehydrotetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines + +[Term] +id: CHEBI:15809 +name: dolichyl D-mannosyl phosphate +is_a: CHEBI:23875 ! dolichol phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15811 +name: O-phospho-L-serine +is_a: CHEBI:37712 ! O-phosphoserine +relationship: has_role CHEBI:62089 ! EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77089 ! EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor +relationship: has_role CHEBI:77090 ! EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15812 +name: dolichyl beta-D-glucosyl phosphate +is_a: CHEBI:23875 ! dolichol phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15815 +name: quinolin-4-ol +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:15816 +name: D-arginine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:29016 ! arginine +relationship: has_role CHEBI:65053 ! EC 4.1.1.19 (arginine decarboxylase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15817 +name: semiquinone +is_a: CHEBI:36872 ! organic radical + +[Term] +id: CHEBI:15819 +name: N(6)-(dimethylallyl)adenosine 5'-monophosphate +is_a: CHEBI:21865 ! N(6)-dimethylallyladenosine 5'-monophosphate + +[Term] +id: CHEBI:15820 +name: GDP-alpha-D-mannose +is_a: CHEBI:84880 ! GDP-D-mannose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15821 +name: 5-hydroxy-6-methylpyridine-3-carboxylic acid +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:38182 ! monohydroxypyridine + +[Term] +id: CHEBI:15822 +name: 17alpha-estradiol 3-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid + +[Term] +id: CHEBI:15824 +name: D-fructose +is_a: CHEBI:28757 ! fructose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:15825 +name: 3-methylbut-2-enal +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15826 +name: 16alpha-hydroxyprogesterone +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid + +[Term] +id: CHEBI:15827 +name: N(omega)-(ADP-D-ribosyl)-L-arginine +is_a: CHEBI:83965 ! L-arginine derivative +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor + +[Term] +id: CHEBI:15829 +name: L-serine O-sulfate +is_a: CHEBI:37862 ! O-sulfoamino acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:15830 +name: 8-amino-7-oxononanoic acid +is_a: CHEBI:33709 ! amino acid +is_a: CHEBI:35983 ! 7-oxo monocarboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:15831 +name: geranylgeranyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:15832 +name: urea-1-carboxylate +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:15833 +name: sulcatol +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:15834 +name: 1-O-galloyl-beta-D-glucose +is_a: CHEBI:24183 ! galloyl beta-D-glucose +is_a: CHEBI:37576 ! gallate ester + +[Term] +id: CHEBI:15835 +name: 1-acylglycerone 3-phosphate +is_a: CHEBI:22231 ! acylglycerone phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15836 +name: 4-phospho-L-aspartic acid +is_a: CHEBI:36951 ! aminoacyl phosphate +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83978 ! L-aspartic acid derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15837 +name: isoamylol +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:50584 ! alkyl alcohol +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:15838 +name: (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid +is_a: CHEBI:23066 ! cephalosporin + +[Term] +id: CHEBI:15840 +name: N-acylneuraminic acid 9-phosphate +is_a: CHEBI:21662 ! N-acylneuraminic acid phosphate + +[Term] +id: CHEBI:15841 +name: polypeptide +is_a: CHEBI:16670 ! peptide +is_a: CHEBI:33839 ! macromolecule + +[Term] +id: CHEBI:15842 +name: orotidine 5'-phosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15843 +name: arachidonic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:36306 ! icosa-5,8,11,14-tetraenoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor +relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite + +[Term] +id: CHEBI:15844 +name: 1D-myo-inositol 3,4,5,6-tetrakisphosphate +is_a: CHEBI:25449 ! myo-inositol tetrakisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15845 +name: keto-L-tagatose 6-phosphate +is_a: CHEBI:13173 ! L-tagatose 6-phosphate + +[Term] +id: CHEBI:15846 +name: NAD(+) +is_a: CHEBI:13389 ! NAD +is_a: CHEBI:13390 ! NAD(P)(+) +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15847 +name: 2-(alpha-D-mannosyl)-D-glyceric acid +is_a: CHEBI:60940 ! D-mannosyl-D-glyceric acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15848 +name: dTDP-galactose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:15849 +name: aryl(methyl)malonic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:15850 +name: 1-O-alkyl-sn-glycerol +is_a: CHEBI:52575 ! alkylglycerol +is_a: CHEBI:76575 ! monosubstituted glycerol +is_a: CHEBI:77997 ! 1(3)-O-alkylglycerol + +[Term] +id: CHEBI:15851 +name: 3-(uracil-1-yl)-L-alanine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative + +[Term] +id: CHEBI:15852 +name: aquacob(III)alamin +is_a: CHEBI:140785 ! alkylcob(III)alamin +is_a: CHEBI:23333 ! cob(III)alamins +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15854 +name: quinine +is_a: CHEBI:51323 ! cinchona alkaloid +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:38068 ! antimalarial +relationship: has_role CHEBI:51371 ! muscle relaxant + +[Term] +id: CHEBI:15855 +name: UDP-6-sulfoquinovose +is_a: CHEBI:17297 ! UDP-sugar +is_a: CHEBI:38029 ! carbohydrate sulfonate + +[Term] +id: CHEBI:15857 +name: 5-L-glutamyl amino acid +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:15858 +name: bromide +is_a: CHEBI:16042 ! halide anion +is_a: CHEBI:36896 ! monoatomic bromine + +[Term] +id: CHEBI:15859 +name: N-carbamoyl-L-aspartic acid +is_a: CHEBI:21686 ! N-carbamoyl-L-amino acid +is_a: CHEBI:64850 ! N-carbamoylaspartic acid +is_a: CHEBI:83978 ! L-aspartic acid derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:15860 +name: N-methylhexanamide +is_a: CHEBI:29348 ! fatty amide + +[Term] +id: CHEBI:15861 +name: trichodiene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:15862 +name: ethylamine +is_a: CHEBI:17062 ! primary aliphatic amine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15864 +name: luteolin +is_a: CHEBI:27741 ! 3'-hydroxyflavonoid +is_a: CHEBI:38684 ! tetrahydroxyflavone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:48422 ! angiogenesis inhibitor +relationship: has_role CHEBI:65207 ! vascular endothelial growth factor receptor antagonist +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:71476 ! EC 2.3.1.85 (fatty acid synthase) inhibitor +relationship: has_role CHEBI:76595 ! nephroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:90172 ! c-Jun N-terminal kinase inhibitor + +[Term] +id: CHEBI:15865 +name: 6-phospho-2-dehydro-D-gluconate(1-) +is_a: CHEBI:24962 ! ketoaldonic acid phosphate + +[Term] +id: CHEBI:15866 +name: 2-deoxy-D-glucose +is_a: CHEBI:23623 ! deoxyglucose + +[Term] +id: CHEBI:15867 +name: D-xylono-1,5-lactone +is_a: CHEBI:27347 ! xylonolactone + +[Term] +id: CHEBI:15868 +name: CDP-N-methylethanolamine +is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s +is_a: CHEBI:36711 ! phosphoethanolamine + +[Term] +id: CHEBI:15870 +name: betaine aldehyde hydrate +is_a: CHEBI:35267 ! quaternary ammonium ion +is_a: CHEBI:63733 ! aldehyde hydrate + +[Term] +id: CHEBI:15871 +name: o-orsellinate depside +is_a: CHEBI:36054 ! benzoate ester + +[Term] +id: CHEBI:15873 +name: alpha-D-glucosamine 6-phosphate +is_a: CHEBI:47987 ! 2-amino-2-deoxy-D-glucopyranose 6-phosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15874 +name: N(2)-malonyl-D-tryptophan +is_a: CHEBI:47997 ! D-tryptophan derivative + +[Term] +id: CHEBI:15877 +name: L-lupinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:15878 +name: 10-hydroxydihydrosanguinarine +is_a: CHEBI:38517 ! benzophenanthridine alkaloid + +[Term] +id: CHEBI:15880 +name: S-methyl 3-phospho-1-thio-D-glycerate +is_a: CHEBI:37696 ! carbohydrate acid ester +is_a: CHEBI:37702 ! aldonate ester phosphate +is_a: CHEBI:51277 ! thioester + +[Term] +id: CHEBI:15881 +name: 2-oxopropyl-CoM +is_a: CHEBI:23356 ! S-substituted coenzyme M + +[Term] +id: CHEBI:15882 +name: phenol +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:48218 ! antiseptic drug +relationship: has_role CHEBI:48219 ! disinfectant +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:15883 +name: P(1),P(4)-bis(5'-guanosyl) tetraphosphate +is_a: CHEBI:37067 ! purine ribonucleoside 5'-tetraphosphate +is_a: CHEBI:37121 ! guanosine 5'-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15884 +name: tropine +is_a: CHEBI:37332 ! tropane alkaloid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15885 +name: L-2-amino-4-chloropent-4-enoic acid +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:15886 +name: UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate +is_a: CHEBI:33903 ! glucuronates +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:15887 +name: 5-aminopentanoic acid +is_a: CHEBI:35931 ! delta-amino acid +is_a: CHEBI:59758 ! omega-amino fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15888 +name: 5-oxohexanoic acid +is_a: CHEBI:35952 ! 5-oxo monocarboxylic acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:59644 ! oxo fatty acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:15889 +name: sterol +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:15890 +name: 5,6-dimethylbenzimidazole +is_a: CHEBI:23809 ! dimethylbenzimidazole +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15891 +name: taurine +is_a: CHEBI:37793 ! amino sulfonic acid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:33284 ! nutrient +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:64589 ! glycine receptor agonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15892 +name: S-succinylglutathione +is_a: CHEBI:18126 ! S-acylglutathione + +[Term] +id: CHEBI:15893 +name: 1-pyrroline-5-carboxylate +is_a: CHEBI:26457 ! 1-pyrrolinecarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15894 +name: (2-trans,6-trans)-farnesal +is_a: CHEBI:137934 ! polyprenal +is_a: CHEBI:24012 ! farnesal + +[Term] +id: CHEBI:15895 +name: D-galactono-1,4-lactone +is_a: CHEBI:24150 ! galactonolactone +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15896 +name: 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione +is_a: CHEBI:26616 ! seco-androstane + +[Term] +id: CHEBI:15897 +name: N-(long-chain-acyl)ethanolamine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:15899 +name: (R)-5-diphosphomevalonic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15900 +name: trans-2,3-epoxysuccinic acid +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:66873 ! C4-dicarboxylic acid + +[Term] +id: CHEBI:15901 +name: 5,6-dihydrouracil +is_a: CHEBI:38337 ! pyrimidone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15902 +name: alpha-D-xylose 1-phosphate +is_a: CHEBI:27349 ! xylose phosphate + +[Term] +id: CHEBI:15903 +name: beta-D-glucose +is_a: CHEBI:4167 ! D-glucopyranose +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15904 +name: long-chain fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:15905 +name: (R)-4'-phosphopantothenic acid +is_a: CHEBI:37481 ! amidoalkyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15906 +name: demethylmacrocin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25022 ! leucomycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:15907 +name: phosphoramidic acid +is_a: CHEBI:26079 ! phosphoric acid derivative + +[Term] +id: CHEBI:15908 +name: L-threonic acid +is_a: CHEBI:26984 ! threonic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15911 +name: desulfoglucotropeolin +is_a: CHEBI:136442 ! desulfoglucosinolic acid + +[Term] +id: CHEBI:15913 +name: (R)-2-hydroxyoctadecanoic acid +is_a: CHEBI:19660 ! 2-hydroxyoctadecanoic acid + +[Term] +id: CHEBI:15914 +name: 2-amino-4-oxopentanoic acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:15915 +name: ADP-L-glycero-D-manno-heptose +is_a: CHEBI:20847 ! ADP-glycero-D-manno-heptose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15916 +name: serine phosphoethanolamine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:26649 ! serine derivative +is_a: CHEBI:36711 ! phosphoethanolamine +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:15917 +name: N-(D-glucopyranosyl)nicotinate +is_a: CHEBI:25533 ! N-glycosylnicotinate + +[Term] +id: CHEBI:15918 +name: 2'-deoxycytosine 5'-monophosphate +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15919 +name: N(6)-(1,2-dicarboxyethyl)-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:15920 +name: columbamine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:15925 +name: 2-dehydro-3-deoxy-6-phospho-D-gluconic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15926 +name: dolichyl diphosphooligosaccharide +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:15927 +name: N-ribosylnicotinamide +is_a: CHEBI:25526 ! N-glycosylnicotinamide +is_a: CHEBI:47896 ! pyridine nucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15929 +name: (-)-methyl jasmonate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:52464 ! jasmonate ester +relationship: has_role CHEBI:24937 ! jasmonates +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15930 +name: atrazine +is_a: CHEBI:38168 ! chloro-1,3,5-triazine +is_a: CHEBI:38170 ! diamino-1,3,5-triazine +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:15931 +name: 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose +is_a: CHEBI:20361 ! (4-deoxygluc-4-enosyluronic acid)-(1->3)-N-acetyl-D-galactosamine sulfate + +[Term] +id: CHEBI:15932 +name: apiin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:38686 ! dihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +relationship: has_role CHEBI:52425 ! EC 3.2.1.18 (exo-alpha-sialidase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15933 +name: UDP-D-apiose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:15934 +name: 5-amino-6-(D-ribitylamino)uracil +is_a: CHEBI:22532 ! aminouracil +is_a: CHEBI:38340 ! hydroxypyrimidine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15935 +name: N-acetyl-D-glucosaminylphosphatidylinositol +is_a: CHEBI:52572 ! acylglucosaminylphosphatidylinositol + +[Term] +id: CHEBI:15936 +name: aldehydo-D-xylose +is_a: CHEBI:65327 ! D-xylose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15937 +name: trans-5-O-(4-coumaroyl)-D-quinic acid +is_a: CHEBI:26493 ! quinic acid + +[Term] +id: CHEBI:15938 +name: pregnan-21-ol +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:15939 +name: glycyrrhizinic acid +is_a: CHEBI:24302 ! glucosiduronic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:61778 ! triterpenoid saponin +relationship: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15940 +name: nicotinic acid +is_a: CHEBI:26416 ! pyridine alkaloid +is_a: CHEBI:26420 ! pyridinemonocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:35679 ! antilipemic drug +relationship: has_role CHEBI:50247 ! antidote +relationship: has_role CHEBI:75769 ! B vitamin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:84264 ! EC 3.5.1.19 (nicotinamidase) inhibitor + +[Term] +id: CHEBI:15941 +name: 2,3-dihydroxy-2,3-dihydrobenzoic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:15942 +name: 2-aminobenzenesulfonate +is_a: CHEBI:22493 ! aminobenzenesulfonate + +[Term] +id: CHEBI:15943 +name: poly(glycerol phosphate) macromolecule +is_a: CHEBI:26707 ! glycerol phosphate +is_a: CHEBI:37997 ! homopolymer macromolecule +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:15944 +name: 6-O-methylnorlaudanosoline +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline + +[Term] +id: CHEBI:15945 +name: D-galactono-1,5-lactone +is_a: CHEBI:24150 ! galactonolactone +is_a: CHEBI:74105 ! aldono-1,5-lactone + +[Term] +id: CHEBI:15946 +name: keto-D-fructose 6-phosphate +is_a: CHEBI:78697 ! D-fructose 6-phosphate + +[Term] +id: CHEBI:15947 +name: N-acetyl-beta-D-glucosaminylamine +is_a: CHEBI:24273 ! glucosaminylamine + +[Term] +id: CHEBI:15948 +name: lycopene +is_a: CHEBI:35162 ! acyclic carotene +relationship: has_part CHEBI:139114 ! carotenoid psi-end group +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15949 +name: diphthamide +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:15950 +name: (S)-coclaurine +is_a: CHEBI:23347 ! coclaurine + +[Term] +id: CHEBI:15951 +name: 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one +is_a: CHEBI:134316 ! 2-acylphloroglucinol + +[Term] +id: CHEBI:15952 +name: dTDP-4-amino-4,6-dideoxy-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:15953 +name: 6-imino-5-oxocyclohexa-1,3-dienecarboxylic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:15954 +name: aldehydo-D-glucose 6-phosphate +is_a: CHEBI:14314 ! D-glucose 6-phosphate + +[Term] +id: CHEBI:15955 +name: discadenine +is_a: CHEBI:38643 ! 6-isopentenylaminopurine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:15956 +name: biotin +is_a: CHEBI:51570 ! biotins +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:26348 ! prosthetic group +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75769 ! B vitamin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15957 +name: stipitatic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:15958 +name: phosphatidyl-N-methylethanolamine +is_a: CHEBI:16038 ! phosphatidylethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15960 +name: O-acetylcarnitinium +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:15961 +name: O-phospho-L-homoserine +is_a: CHEBI:21969 ! O-phosphorylhomoserine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15963 +name: ribitol +is_a: CHEBI:25899 ! pentitol +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:15964 +name: cyclohexylsulfamic acid +is_a: CHEBI:35719 ! sulfamic acids +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:15965 +name: D-hexose phosphate +is_a: CHEBI:47878 ! hexose phosphate + +[Term] +id: CHEBI:15966 +name: D-glutamic acid +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:18237 ! glutamic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15968 +name: 3-guanidinopropanoic acid +is_a: CHEBI:24436 ! guanidines +relationship: has_role CHEBI:35526 ! hypoglycemic agent + +[Term] +id: CHEBI:15970 +name: O-carbamoyl-L-serine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:15971 +name: L-histidine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:27570 ! histidine +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:15972 +name: dTDP-4-amino-4,6-dideoxy-D-galactose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:15975 +name: 1D-5-O-methyl-myo-inositol +is_a: CHEBI:25270 ! methyl myo-inositols +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15976 +name: 3-indoleglycolaldehyde +is_a: CHEBI:24387 ! glycolaldehydes + +[Term] +id: CHEBI:15977 +name: cyclohex-2-enone +is_a: CHEBI:48951 ! cyclohexenone + +[Term] +id: CHEBI:15978 +name: sn-glycerol 3-phosphate +is_a: CHEBI:14336 ! glycerol 1-phosphate +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15979 +name: 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline + +[Term] +id: CHEBI:15980 +name: (R)-pantoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:15981 +name: heparan sulfate alpha-D-glucosaminide 3-sulfate +is_a: CHEBI:24495 ! heparan alpha-D-glucosaminide +is_a: CHEBI:35721 ! heparan sulfates +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15982 +name: cob(I)alamin +is_a: CHEBI:30411 ! cobalamin +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:15984 +name: N-(4-nitrophenyl)-3-oxovalidamine +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:50995 ! secondary amino compound + +[Term] +id: CHEBI:15986 +name: polynucleotide +is_a: CHEBI:33695 ! information biomacromolecule +is_a: CHEBI:61120 ! nucleobase-containing molecular entity +relationship: has_part CHEBI:50319 ! nucleotide residue + +[Term] +id: CHEBI:15987 +name: trithionate(2-) +is_a: CHEBI:33482 ! sulfur oxoanion +is_a: CHEBI:48154 ! sulfur oxide + +[Term] +id: CHEBI:15989 +name: L-methionine S-oxide residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:15992 +name: 1-hydroxy-2-naphthoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:15993 +name: N-acyl-D-glucosamine 6-phosphate +is_a: CHEBI:21637 ! N-acyl-D-glucosamine phosphate + +[Term] +id: CHEBI:15994 +name: 5alpha-androstane-3,17-dione +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:22542 ! androstane-3,17-dione +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:15996 +name: GTP +is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate +is_a: CHEBI:37121 ! guanosine 5'-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:15997 +name: 2-methylpropanamine +is_a: CHEBI:22331 ! alkylamines +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:15998 +name: (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl trihydrogen diphosphate +is_a: CHEBI:36942 ! pterin phosphate +is_a: CHEBI:38797 ! dihydropterin +relationship: has_part CHEBI:68836 ! diphosphate group + +[Term] +id: CHEBI:15999 +name: (4-hydroxyphenyl)pyruvic acid +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:160 +name: D-erythro-isocitric acid +is_a: CHEBI:30887 ! isocitric acid + +[Term] +id: CHEBI:16000 +name: ethanolamine +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23981 ! ethanolamines +is_a: CHEBI:32877 ! primary amine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16001 +name: 3-phospho-D-glyceroyl dihydrogen phosphate +is_a: CHEBI:16826 ! acyl monophosphate +is_a: CHEBI:28907 ! 2,3-bisphosphoglyceric acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16002 +name: D-glucaric acid +is_a: CHEBI:17301 ! glucaric acid +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:16003 +name: (R)-3-(4-hydroxyphenyl)lactic acid +is_a: CHEBI:17385 ! 3-(4-hydroxyphenyl)lactic acid + +[Term] +id: CHEBI:16004 +name: (R)-lactate +is_a: CHEBI:24996 ! lactate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16005 +name: methylarsonate(2-) +is_a: CHEBI:50956 ! organoarsonic acid anion + +[Term] +id: CHEBI:16007 +name: methanethiol +is_a: CHEBI:47908 ! alkanethiol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16008 +name: salicylaldehyde +is_a: CHEBI:24673 ! hydroxybenzaldehyde +relationship: has_role CHEBI:25491 ! nematicide +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16009 +name: 9-riburonosyladenine +is_a: CHEBI:26394 ! purine nucleoside + +[Term] +id: CHEBI:16010 +name: 5-oxoproline +is_a: CHEBI:25801 ! oxoproline +is_a: CHEBI:46701 ! pyrrolidinemonocarboxylic acid +is_a: CHEBI:74223 ! pyrrolidin-2-ones +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16011 +name: 2-ethylhexan-1-ol +is_a: CHEBI:15734 ! primary alcohol +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16013 +name: 5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene +is_a: CHEBI:19281 ! 2,2'-bithiophenes +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:16015 +name: L-glutamic acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:18237 ! glutamic acid +is_a: CHEBI:24318 ! glutamine family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16016 +name: dihydroxyacetone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:24982 ! ketotriose +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16017 +name: benzyl thiocyanate +is_a: CHEBI:26955 ! thiocyanates + +[Term] +id: CHEBI:16018 +name: acyl-[acyl-carrier protein] +is_a: CHEBI:13534 ! acyl-carrier protein + +[Term] +id: CHEBI:16019 +name: prenol +is_a: CHEBI:26244 ! prenols +is_a: CHEBI:50582 ! alkenyl alcohol + +[Term] +id: CHEBI:16020 +name: 1-methyladenosine +is_a: CHEBI:25273 ! methyladenosine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16021 +name: oleandomycin 2'-O-phosphate +is_a: CHEBI:36974 ! aminoglycoside phosphate + +[Term] +id: CHEBI:16022 +name: CDP-ribitol +is_a: CHEBI:35240 ! nucleotide-alditol + +[Term] +id: CHEBI:16023 +name: D-erythrulose +is_a: CHEBI:23958 ! erythrulose + +[Term] +id: CHEBI:16024 +name: D-mannose +is_a: CHEBI:17608 ! D-aldohexose +is_a: CHEBI:37684 ! mannose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16026 +name: LL-2,6-diaminopimelic acid +is_a: CHEBI:23673 ! 2,6-diaminopimelic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16027 +name: adenosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor +relationship: has_role CHEBI:65056 ! EC 3.1.3.11 (fructose-bisphosphatase) inhibitor +relationship: has_role CHEBI:65057 ! adenosine A1 receptor agonist +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16028 +name: L-2,4-diaminobutyrate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:16029 +name: N(alpha),N(alpha)-dimethyl-L-histidine +is_a: CHEBI:21911 ! N(alpha)-methyl-L-histidines +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:16030 +name: acyldolichol +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:16031 +name: indole-3-acetamide +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:83628 ! N-acylammonia +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16032 +name: androsterone +is_a: CHEBI:131621 ! C19-steroid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16034 +name: phosphoguanidinoacetic acid +is_a: CHEBI:17102 ! phosphoramide +is_a: CHEBI:24439 ! guanidinoacetic acids + +[Term] +id: CHEBI:16035 +name: 2'-hydroxy-2,3-dihydrodaidzein +is_a: CHEBI:72739 ! hydroxyisoflavanone + +[Term] +id: CHEBI:16036 +name: ethyl (S)-3-hydroxyhexanoate +is_a: CHEBI:23997 ! ethyl 3-hydroxyhexanoate + +[Term] +id: CHEBI:16037 +name: 2-nitropropane +is_a: CHEBI:139218 ! secondary nitroalkane +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50908 ! hepatotoxic agent + +[Term] +id: CHEBI:16038 +name: phosphatidylethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine + +[Term] +id: CHEBI:16039 +name: ITP +is_a: CHEBI:24843 ! inosine phosphate +is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16040 +name: cytosine +is_a: CHEBI:26432 ! pyrimidine nucleobase +is_a: CHEBI:38337 ! pyrimidone +is_a: CHEBI:38338 ! aminopyrimidine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16042 +name: halide anion +is_a: CHEBI:33429 ! monoatomic monoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:16044 +name: L-methionine residue +is_a: CHEBI:32648 ! methionine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:16046 +name: alpha-D-galactosyl undecaprenyl diphosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:16048 +name: FMNH2 +is_a: CHEBI:24041 ! flavin mononucleotide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16049 +name: CDP-abequose +is_a: CHEBI:20873 ! CDP-sugar + +[Term] +id: CHEBI:16050 +name: N-acetylisatin +is_a: CHEBI:24793 ! indoledione + +[Term] +id: CHEBI:16051 +name: poly(ribitol phosphate) +is_a: CHEBI:26172 ! poly(ribitol phosphate)s + +[Term] +id: CHEBI:16052 +name: propene +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:32878 ! alkene +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:16053 +name: 1beta,3beta,4alpha-p-menthane-3,8-diol +is_a: CHEBI:48249 ! 1r,3c,4t-p-menthane-3,8-diol + +[Term] +id: CHEBI:16054 +name: 2-benzylsuccinic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:16055 +name: aldehydo-L-rhamnose +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:62345 ! L-rhamnose + +[Term] +id: CHEBI:16057 +name: prenyl diphosphate +is_a: CHEBI:26250 ! prenol phosphate +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59544 ! phosphoantigen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16058 +name: 2D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone +is_a: CHEBI:25881 ! pentahydroxycyclohexanone + +[Term] +id: CHEBI:16060 +name: 10-deoxysarpagine +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:16062 +name: N-acyl-D-mannosamine +is_a: CHEBI:21656 ! N-acyl-hexosamine +is_a: CHEBI:25166 ! mannosamine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16063 +name: limonin 17-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:16064 +name: keto-3-deoxy-D-manno-octulosonate +is_a: CHEBI:24961 ! ketoaldonate + +[Term] +id: CHEBI:16065 +name: scopolin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:23403 ! coumarins +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16066 +name: 11-cis-retinal +is_a: CHEBI:15035 ! retinal +relationship: has_role CHEBI:23240 ! chromophore +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16067 +name: 1D-myo-inositol 1,4,5,6-tetrakisphosphate +is_a: CHEBI:25449 ! myo-inositol tetrakisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16068 +name: 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:36054 ! benzoate ester + +[Term] +id: CHEBI:16069 +name: 1H-imidazole +is_a: CHEBI:14434 ! imidazole +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:38179 ! monocyclic heteroarene + +[Term] +id: CHEBI:16070 +name: 1,5-anhydro-D-glucitol +is_a: CHEBI:22558 ! anhydro sugar +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16072 +name: maleimide +is_a: CHEBI:35356 ! dicarboximide +is_a: CHEBI:55417 ! maleimides +relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor + +[Term] +id: CHEBI:16073 +name: N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:16074 +name: 5beta-cholestan-3-one +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16076 +name: 11alpha-hydroxyprogesterone +is_a: CHEBI:19129 ! 11alpha-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:16077 +name: D-glucopyranose 1-phosphate +is_a: CHEBI:21006 ! D-glucose monophosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16079 +name: benzyl 2-methyl-3-oxobutanoate +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:51849 ! beta-ketoester +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:90628 ! benzyl ester + +[Term] +id: CHEBI:16080 +name: gamma-amino-beta-hydroxybutyric acid +is_a: CHEBI:33707 ! gamma-amino acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:16081 +name: dTDP-L-dihydrostreptose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:16082 +name: UDP-alpha-D-xylose +is_a: CHEBI:17297 ! UDP-sugar +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16083 +name: (S)-3-(indol-3-yl)-2-oxobutyric acid +is_a: CHEBI:28549 ! 3-(indol-3-yl)-2-oxobutyric acid + +[Term] +id: CHEBI:16084 +name: beta-D-fructofuranose 6-phosphate +is_a: CHEBI:61553 ! D-fructofuranose 6-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16085 +name: UDP-alpha-D-galacturonic acid +is_a: CHEBI:13488 ! UDP-D-galacturonic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16086 +name: mycothione +is_a: CHEBI:35489 ! organic disulfide + +[Term] +id: CHEBI:16087 +name: isocitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16089 +name: 6-deoxyerythronolide B +is_a: CHEBI:23955 ! erythronolide + +[Term] +id: CHEBI:16091 +name: dolichol +is_a: CHEBI:24913 ! isoprenoid +is_a: CHEBI:26199 ! polyprenol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16092 +name: isoquinoline +is_a: CHEBI:24922 ! isoquinolines +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +is_a: CHEBI:50893 ! azaarene +is_a: CHEBI:52362 ! ortho-fused heteroarene + +[Term] +id: CHEBI:16093 +name: 2-methylene-3-methylsuccinic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:16094 +name: thiosulfate(2-) +is_a: CHEBI:33482 ! sulfur oxoanion +is_a: CHEBI:48154 ! sulfur oxide +is_a: CHEBI:79388 ! divalent inorganic anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16095 +name: sepiapterin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:16096 +name: palmatine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:38163 ! organic heterotetracyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16097 +name: GDP-6-deoxy-alpha-D-talose +is_a: CHEBI:21167 ! GDP-hexose + +[Term] +id: CHEBI:16098 +name: 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde +is_a: CHEBI:18634 ! (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde + +[Term] +id: CHEBI:16099 +name: 4'-O-beta-D-glucosyl-cis-p-coumaric acid +is_a: CHEBI:17335 ! 4-O-beta-D-glucosyl-4-coumaric acid + +[Term] +id: CHEBI:16100 +name: 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid + +[Term] +id: CHEBI:16101 +name: ethylbenzene +is_a: CHEBI:38976 ! alkylbenzene + +[Term] +id: CHEBI:16104 +name: 3-(2-hydroxyphenyl)propanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:16106 +name: 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:16108 +name: dihydroxyacetone phosphate +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:24356 ! glycerone phosphates +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16109 +name: propane-1,3-diol +is_a: CHEBI:26287 ! propane-1,3-diols +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48356 ! protic solvent + +[Term] +id: CHEBI:16110 +name: 1,2-diacyl-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:49183 ! phosphatidylcholine(1+) +relationship: has_role CHEBI:23888 ! drug +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16111 +name: nonane-4,6-dione +is_a: CHEBI:25579 ! nonanone +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:16112 +name: chlorogenic acid +is_a: CHEBI:26848 ! tannin +is_a: CHEBI:36087 ! cinnamate ester +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:16113 +name: cholesterol +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16114 +name: medicarpin +is_a: CHEBI:26377 ! pterocarpans +relationship: has_role CHEBI:26115 ! phytoalexin + +[Term] +id: CHEBI:16116 +name: 3-hydroxy-4-methylanthranilic acid +is_a: CHEBI:22495 ! aminobenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16118 +name: berberine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:86322 ! alkaloid antibiotic +is_a: CHEBI:86494 ! botanical anti-fungal agent +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:35608 ! EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35679 ! antilipemic drug +relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor +relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor +relationship: has_role CHEBI:48550 ! EC 1.1.1.21 (aldehyde reductase) inhibitor +relationship: has_role CHEBI:50469 ! EC 3.1.1.4 (phospholipase A2) inhibitor +relationship: has_role CHEBI:50509 ! potassium channel blocker +relationship: has_role CHEBI:68612 ! EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor +relationship: has_role CHEBI:72854 ! EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor +relationship: has_role CHEBI:77108 ! EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor +relationship: has_role CHEBI:77110 ! EC 1.21.3.3 (reticuline oxidase) inhibitor +relationship: has_role CHEBI:77111 ! EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor +relationship: has_role CHEBI:77113 ! EC 2.7.11.10 (IkappaB kinase) inhibitor +relationship: has_role CHEBI:77115 ! EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor + +[Term] +id: CHEBI:16119 +name: shikimic acid +is_a: CHEBI:23483 ! cyclohexenecarboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16120 +name: 5-oxopentanoate +is_a: CHEBI:25798 ! oxopentanoates +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:71944 ! aldehydic acid anion +is_a: CHEBI:76309 ! omega-oxo fatty acid anion + +[Term] +id: CHEBI:16121 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:36541 ! sialotriaosylceramide + +[Term] +id: CHEBI:16122 +name: 3-(4-hydroxy-3,5-diiodophenyl)lactic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37142 ! organoiodine compound +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:16123 +name: 6-oxocineole +is_a: CHEBI:23243 ! cineole + +[Term] +id: CHEBI:16124 +name: alpha-L-fucosyl-(1->2)-beta-D-galactosyl group +is_a: CHEBI:24164 ! galactosyl group +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:16125 +name: hexadecan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +is_a: CHEBI:78136 ! fatty alcohol 16:0 +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16126 +name: 3-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine +is_a: CHEBI:132805 ! beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16128 +name: dTDP-4-dehydro-6-deoxy-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16130 +name: DDT +is_a: CHEBI:23154 ! chlorophenylethane +is_a: CHEBI:25705 ! organochlorine insecticide +is_a: CHEBI:33836 ! benzenoid aromatic compound +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:138015 ! endocrine disruptor +relationship: has_role CHEBI:39412 ! bridged diphenyl acaricide +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:16132 +name: 2-deoxy-D-ribose 5-phosphate +is_a: CHEBI:19565 ! 2-deoxyribose 5-phosphate +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16133 +name: cyclopentanol +is_a: CHEBI:23495 ! cyclopentanols + +[Term] +id: CHEBI:16134 +name: ammonia +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:35107 ! azane +is_a: CHEBI:37176 ! mononuclear parent hydride +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:59740 ! nucleophilic reagent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:16135 +name: isobutyric acid +is_a: CHEBI:140601 ! fatty acid 4:0 +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:16136 +name: hydrogen sulfide +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:33405 ! hydracid +is_a: CHEBI:33535 ! sulfur hydride +is_a: CHEBI:37176 ! mononuclear parent hydride +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16137 +name: chondroitin D-glucuronate +is_a: CHEBI:37395 ! mucopolysaccharide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16138 +name: 2-deoxy-D-gluconic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:16141 +name: undecaprenyl dihydrogen phosphate +is_a: CHEBI:27193 ! undecaprenyl phosphate + +[Term] +id: CHEBI:16142 +name: 3-dehydro-L-gulonic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16143 +name: 1-guanidino-1-deoxy-scyllo-inositol 4-phosphate +is_a: CHEBI:26613 ! scyllo-inositol phosphate + +[Term] +id: CHEBI:16144 +name: selenophosphate +is_a: CHEBI:33461 ! phosphorus oxoanion +is_a: CHEBI:79387 ! trivalent inorganic anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16145 +name: 3,5/4-trihydroxycyclohexane-1,2-dione +is_a: CHEBI:24693 ! hydroxycyclohexanone + +[Term] +id: CHEBI:16146 +name: maleamate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:16147 +name: 11-O-demethyl-17-O-deacetylvindoline +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:27288 ! vinca alkaloid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:16148 +name: heptadecane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16150 +name: benzoate +is_a: CHEBI:22718 ! benzoates +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:16151 +name: 3,4-dihydrocoumarin +is_a: CHEBI:38763 ! chromanone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16152 +name: 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate +is_a: CHEBI:37328 ! phosphatidylinositol bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16153 +name: N-acetyllactosamine +is_a: CHEBI:60152 ! beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine + +[Term] +id: CHEBI:16154 +name: L-gulonic acid +is_a: CHEBI:24462 ! gulonic acid + +[Term] +id: CHEBI:16155 +name: myo-inositol 1,3,4,6-tetrakisphosphate +is_a: CHEBI:25449 ! myo-inositol tetrakisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16157 +name: D-arabinonate +is_a: CHEBI:22595 ! arabinonate + +[Term] +id: CHEBI:16158 +name: steroid sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:26819 ! sulfuric ester +is_a: CHEBI:47880 ! steroid ester + +[Term] +id: CHEBI:16159 +name: sulochrin +is_a: CHEBI:22726 ! benzophenones +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16160 +name: O-succinyl-L-homoserine +is_a: CHEBI:138979 ! hemisuccinate +is_a: CHEBI:21976 ! o-succinylhomoserine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16161 +name: CoA-disulfide +is_a: CHEBI:35489 ! organic disulfide + +[Term] +id: CHEBI:16162 +name: o-orsellinate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:16163 +name: S-carboxymethyl-L-cysteine +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:77034 ! mucolytic + +[Term] +id: CHEBI:16164 +name: pyrogallol +is_a: CHEBI:22707 ! benzenetriol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16165 +name: D-glucono-1,4-lactone +is_a: CHEBI:24267 ! gluconolactone + +[Term] +id: CHEBI:16166 +name: 2-caffeoylisocitric acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:16168 +name: 6-hydroxynicotinic acid +is_a: CHEBI:38182 ! monohydroxypyridine +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16169 +name: homogentisate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:1617 +name: 4-hydroxy-3-octaprenylbenzoate +is_a: CHEBI:78396 ! 4-hydroxy-3-polyprenylbenzoate + +[Term] +id: CHEBI:16170 +name: mercury(0) +is_a: CHEBI:35113 ! elemental mercury +relationship: has_role CHEBI:50910 ! neurotoxin + +[Term] +id: CHEBI:16171 +name: NMN zwitterion +is_a: CHEBI:50383 ! nicotinamide mononucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16172 +name: neryl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:16173 +name: aldehydo-N-acyl-D-mannosamine 6-phosphate +is_a: CHEBI:62170 ! N-acyl-D-mannosamine phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16174 +name: dADP +is_a: CHEBI:19237 ! 2'-deoxyadenosine 5'-phosphate +is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16175 +name: cholest-4-en-3-one +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16176 +name: D-ornithine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:18257 ! ornithine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16177 +name: vicianose +is_a: CHEBI:24405 ! glycosylglucose + +[Term] +id: CHEBI:16179 +name: retinyl ester +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:16180 +name: N-acylglycine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:51569 ! N-acyl-amino acid + +[Term] +id: CHEBI:16181 +name: 1-amino-1-deoxy-scyllo-inositol +is_a: CHEBI:61689 ! amino cyclitol + +[Term] +id: CHEBI:16182 +name: 2-methylbutanal +is_a: CHEBI:25282 ! methylbutanal +is_a: CHEBI:49188 ! 2-methyl-branched fatty aldehyde +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16183 +name: methane +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18310 ! alkane +is_a: CHEBI:37176 ! mononuclear parent hydride +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:35230 ! fossil fuel +relationship: has_role CHEBI:76413 ! greenhouse gas +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16184 +name: 7-O-acetylsalutaridinol +is_a: CHEBI:25418 ! morphinane alkaloid + +[Term] +id: CHEBI:16185 +name: N(5)-acyl-L-ornithine ester +is_a: CHEBI:46874 ! alpha-amino acid ester + +[Term] +id: CHEBI:16187 +name: 1-piperideine-2-carboxylate +is_a: CHEBI:36109 ! piperidinecarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16188 +name: octan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:37868 ! octanol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16189 +name: sulfate +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:33482 ! sulfur oxoanion +is_a: CHEBI:48154 ! sulfur oxide +is_a: CHEBI:79388 ! divalent inorganic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16190 +name: cis-cyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:18887 ! cyclohexa-3,5-diene-1,2-diol + +[Term] +id: CHEBI:16192 +name: 2'-deoxyguanosine 5'-monophosphate +is_a: CHEBI:23625 ! deoxyguanosine phosphate +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:63573 ! guanyl deoxyribonucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16193 +name: 3-hydroxybenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16196 +name: oleic acid +is_a: CHEBI:36021 ! octadec-9-enoic acid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor +relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite + +[Term] +id: CHEBI:16197 +name: N-acylsphingosine 1-phosphate +is_a: CHEBI:13956 ! ceramide 1-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16199 +name: urea +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:33287 ! fertilizer +relationship: has_role CHEBI:64577 ! flour treatment agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:16200 +name: questin +is_a: CHEBI:37484 ! dihydroxyanthraquinone + +[Term] +id: CHEBI:16204 +name: phloroglucinol +is_a: CHEBI:22707 ! benzenetriol +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16205 +name: biphenyl-2,3-diol +is_a: CHEBI:24681 ! hydroxybiphenyls +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:16206 +name: sn-3-O-(geranylgeranyl)glycerol 1-phosphate +is_a: CHEBI:48869 ! 3-O-(geranylgeranyl)glycerol 1-phosphate + +[Term] +id: CHEBI:16207 +name: 3-hydroxybenzaldehyde +is_a: CHEBI:24673 ! hydroxybenzaldehyde + +[Term] +id: CHEBI:16208 +name: 3-mercaptopyruvic acid +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:90749 ! antidote to cyanide poisoning + +[Term] +id: CHEBI:16209 +name: hypotaurocyamine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:37783 ! organosulfinic acid + +[Term] +id: CHEBI:16210 +name: sinapoyltartronic acid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:16211 +name: cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide +is_a: CHEBI:23140 ! chlorodienelactone +is_a: CHEBI:38122 ! 2-chloro-4-carboxymethylenebut-2-en-1,4-olide + +[Term] +id: CHEBI:16213 +name: coformycin +is_a: CHEBI:39304 ! coformycins +relationship: has_role CHEBI:50445 ! EC 3.5.4.4 (adenosine deaminase) inhibitor + +[Term] +id: CHEBI:16214 +name: dolichyl phosphate +is_a: CHEBI:23875 ! dolichol phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16215 +name: phosphonate(2-) +is_a: CHEBI:33461 ! phosphorus oxoanion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:16216 +name: 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:16217 +name: D-glucono-1,5-lactone +is_a: CHEBI:24267 ! gluconolactone +is_a: CHEBI:74105 ! aldono-1,5-lactone +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16218 +name: beta-D-glucose 1-phosphate +is_a: CHEBI:16077 ! D-glucopyranose 1-phosphate + +[Term] +id: CHEBI:16219 +name: cucurbitacin +is_a: CHEBI:26893 ! tetracyclic triterpenoid +relationship: has_role CHEBI:62215 ! allelochemical + +[Term] +id: CHEBI:16220 +name: coniferin +is_a: CHEBI:20346 ! cinnamyl alcohol beta-D-glucoside +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16221 +name: sn-glycerol 1-phosphate +is_a: CHEBI:14336 ! glycerol 1-phosphate +is_a: CHEBI:37528 ! sn-glycerol 1-phosphates +relationship: has_role CHEBI:78947 ! archaeal metabolite + +[Term] +id: CHEBI:16222 +name: D-galacto-hexodialdose +is_a: CHEBI:33926 ! dialdose + +[Term] +id: CHEBI:16223 +name: dimethylarsinate +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:16224 +name: alpha-D-mannopyranuronic acid +is_a: CHEBI:79047 ! D-mannopyranuronic acid + +[Term] +id: CHEBI:162247 +name: 2-cis,6-trans-farnesyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:16225 +name: S-formylglutathione +is_a: CHEBI:18126 ! S-acylglutathione +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16226 +name: limonin +is_a: CHEBI:24129 ! furans +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:39434 ! limonoid +is_a: CHEBI:51914 ! organic heterohexacyclic compound +is_a: CHEBI:70994 ! hexacyclic triterpenoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:35222 ! inhibitor + +[Term] +id: CHEBI:16227 +name: pyridine +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:38179 ! monocyclic heteroarene +is_a: CHEBI:50893 ! azaarene +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:16228 +name: 2,2-dialkylglycine +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:16229 +name: 3beta-hydroxy-5beta-pregnan-20-one +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:50171 ! 3-hydroxy-5beta-pregnan-20-one +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16230 +name: 5-hydroxypentanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:16231 +name: cis-4-hydroxy-D-proline +is_a: CHEBI:20392 ! 4-hydroxyproline +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16232 +name: N(6)-acyl-L-lysine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid + +[Term] +id: CHEBI:16233 +name: (S)-cheilanthifoline +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:16234 +name: hydroxide +is_a: CHEBI:33693 ! oxygen hydride +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16235 +name: guanine +is_a: CHEBI:20702 ! 2-aminopurines +is_a: CHEBI:25810 ! oxopurine +is_a: CHEBI:26386 ! purine nucleobase +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16236 +name: ethanol +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23982 ! ethanols +is_a: CHEBI:50584 ! alkyl alcohol +relationship: has_role CHEBI:35488 ! central nervous system depressant +relationship: has_role CHEBI:48218 ! antiseptic drug +relationship: has_role CHEBI:48219 ! disinfectant +relationship: has_role CHEBI:48354 ! polar solvent +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:60643 ! NMDA receptor antagonist +relationship: has_role CHEBI:64018 ! protein kinase C agonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16237 +name: 4-chlorophenylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:16238 +name: FAD +is_a: CHEBI:24040 ! flavin adenine dinucleotide +relationship: has_role CHEBI:26348 ! prosthetic group +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16239 +name: benzyl (2R,3S)-3-hydroxy-2-methylbutanoate +is_a: CHEBI:22748 ! benzyl 2-methyl-3-hydroxybutanoate + +[Term] +id: CHEBI:1624 +name: 3-oxo-5beta-steroid +is_a: CHEBI:136889 ! 5beta steroid +is_a: CHEBI:47788 ! 3-oxo steroid + +[Term] +id: CHEBI:16240 +name: hydrogen peroxide +is_a: CHEBI:24837 ! inorganic peroxide +is_a: CHEBI:26523 ! reactive oxygen species +relationship: has_role CHEBI:132717 ! bleaching agent +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:48219 ! disinfectant +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:63248 ! oxidising agent +relationship: has_role CHEBI:63490 ! explosive +relationship: has_role CHEBI:65259 ! GABA antagonist +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16241 +name: aldehydo-D-arabinose 5-phosphate +is_a: CHEBI:79058 ! D-arabinose 5-phosphate + +[Term] +id: CHEBI:16243 +name: quercetin +is_a: CHEBI:25883 ! pentahydroxyflavone +is_a: CHEBI:52267 ! 7-hydroxyflavonol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:37699 ! protein kinase inhibitor +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen +relationship: has_role CHEBI:77020 ! EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor + +[Term] +id: CHEBI:16244 +name: 4-(trimethylammonio)butanoate +is_a: CHEBI:22860 ! amino-acid betaine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16246 +name: D-ribitol 5-phosphate +is_a: CHEBI:37534 ! ribitol 5-phosphate + +[Term] +id: CHEBI:16247 +name: phospholipid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:16250 +name: N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-D-galactosaminyl group +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16251 +name: deaminohydroxyblasticidin S +is_a: CHEBI:22905 ! blasticidin + +[Term] +id: CHEBI:16252 +name: 6-methoxymellein +is_a: CHEBI:38762 ! isochromanes + +[Term] +id: CHEBI:16253 +name: 2-(acetamidomethylidene)succinic acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:16254 +name: 11-cis-retinyl palmitate +is_a: CHEBI:15040 ! retinyl palmitate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16255 +name: L-histidinol +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:24780 ! imidazoles +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78691 ! EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor + +[Term] +id: CHEBI:16256 +name: 2-methyl-3-oxopropanoic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:16257 +name: 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid +is_a: CHEBI:37412 ! phosphoshikimic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16259 +name: N-acetyl-L-phenylalanine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:21626 ! N-acetylphenylalanine +is_a: CHEBI:77673 ! N-acyl-L-phenylalanine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16260 +name: 2-nitrophenol +is_a: CHEBI:86421 ! 2-nitrophenols + +[Term] +id: CHEBI:16261 +name: chitosan +is_a: CHEBI:22506 ! aminoglycan +is_a: CHEBI:72813 ! exopolysaccharide +relationship: has_role CHEBI:73182 ! plant activator +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16264 +name: UDP-N-acetyl-alpha-D-glucosamine +is_a: CHEBI:35262 ! UDP-amino sugar +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16265 +name: succinic semialdehyde +is_a: CHEBI:26643 ! aldehydic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16266 +name: 2,3-bis-O-(geranylgeranyl)glycerol 1-phosphate +is_a: CHEBI:24232 ! geranylgeranylglycerol 1-phosphate + +[Term] +id: CHEBI:16267 +name: (R)-4-hydroxymandelonitrile beta-D-glucoside +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:16268 +name: nitroethane +is_a: CHEBI:133972 ! primary nitroalkane + +[Term] +id: CHEBI:16269 +name: N,N-dimethylaniline +is_a: CHEBI:23806 ! dimethylaniline +is_a: CHEBI:32876 ! tertiary amine + +[Term] +id: CHEBI:16270 +name: benzoylagmatine +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:16271 +name: 2-exo-hydroxy-1,8-cineole +is_a: CHEBI:23243 ! cineole + +[Term] +id: CHEBI:16273 +name: 2-amino-3-oxo-4-(phosphonooxy)butanoic acid +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:16274 +name: 5,12-dihydroxanthommatin +is_a: CHEBI:27323 ! xanthommatins + +[Term] +id: CHEBI:16275 +name: all-trans-octaprenyl diphosphate +is_a: CHEBI:53045 ! octaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16277 +name: haloacetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:16278 +name: 2-hydroxy-3-oxoadipic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:16279 +name: 1-O-trans-cinnamoyl-beta-D-glucopyranose +is_a: CHEBI:52782 ! O-acyl carbohydrate + +[Term] +id: CHEBI:16281 +name: 3-(2-carboxyethenyl)-cis,cis-muconic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:16282 +name: 2-ureidoglycine +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:16283 +name: L-cystine +is_a: CHEBI:17376 ! cystine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83824 ! L-cysteine derivative +relationship: has_role CHEBI:64577 ! flour treatment agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16284 +name: dATP +is_a: CHEBI:19237 ! 2'-deoxyadenosine 5'-phosphate +is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16285 +name: phytanic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid + +[Term] +id: CHEBI:16286 +name: 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:35348 ! 3beta-sterol + +[Term] +id: CHEBI:16287 +name: UDP-N-acetyl-D-mannosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:16288 +name: O-acetyl-L-homoserine +is_a: CHEBI:22195 ! acetyl-amino acid +is_a: CHEBI:7671 ! O-acetylhomoserine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16289 +name: beta-D-galactosyl group +is_a: CHEBI:22778 ! beta-D-galactosyl groups +is_a: CHEBI:24164 ! galactosyl group + +[Term] +id: CHEBI:16290 +name: 5alpha-cholesta-7,24-dien-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16291 +name: 1-alkyl-2-acetyl-sn-glycerol +is_a: CHEBI:598 ! 1-alkyl-2-acylglycerol +is_a: CHEBI:75882 ! 1-alkyl-2-acetylglycerol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16292 +name: D-arabinono-1,4-lactone +is_a: CHEBI:37422 ! arabinono-1,4-lactone +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16294 +name: barbituric acid +is_a: CHEBI:22693 ! barbiturates +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:16295 +name: alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->3')-1-alkyl-2-acylglycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:16296 +name: D-tryptophan +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:27897 ! tryptophan +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16297 +name: N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:23073 ! glycopentaosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16298 +name: D-mannitol 1-phosphate +is_a: CHEBI:22292 ! alditol 1-phosphate +is_a: CHEBI:24582 ! hexitol phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16299 +name: dehydrocoformycin +is_a: CHEBI:39304 ! coformycins + +[Term] +id: CHEBI:16300 +name: alpha-D-ribose 1-phosphate +is_a: CHEBI:35425 ! D-ribose 1-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16301 +name: nitrite +is_a: CHEBI:33458 ! nitrogen oxoanion +is_a: CHEBI:62764 ! reactive nitrogen species +is_a: CHEBI:79389 ! monovalent inorganic anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16302 +name: 11-cis-retinol +is_a: CHEBI:50211 ! retinol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16303 +name: 3-amino-L-alanine +is_a: CHEBI:18383 ! 3-aminoalanine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative + +[Term] +id: CHEBI:16304 +name: cob(II)alamin +is_a: CHEBI:30411 ! cobalamin +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16307 +name: anthocyanidin 3-O-beta-D-glucoside +is_a: CHEBI:22569 ! anthocyanidin glucoside + +[Term] +id: CHEBI:16308 +name: sucrose 6(F)-phosphate +is_a: CHEBI:23843 ! disaccharide phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16309 +name: 4-sulfobenzoate(1-) +is_a: CHEBI:38036 ! sulfobenzoate + +[Term] +id: CHEBI:16310 +name: sulcatone +is_a: CHEBI:24523 ! heptenone +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:72575 ! alarm pheromone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16311 +name: dCTP +is_a: CHEBI:37043 ! pyrimidine 2'-deoxyribonucleoside 5'-triphosphate +is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16312 +name: 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid + +[Term] +id: CHEBI:16313 +name: D-proline +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:26271 ! proline +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16314 +name: N-formylmethanofuran +is_a: CHEBI:35743 ! pentacarboxylic acid + +[Term] +id: CHEBI:16315 +name: morphinone +is_a: CHEBI:25418 ! morphinane alkaloid + +[Term] +id: CHEBI:16317 +name: 3alpha-hydroxyglycyrrhetinic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid + +[Term] +id: CHEBI:16318 +name: 4-nitrocatechol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:35716 ! C-nitro compound +relationship: has_role CHEBI:35856 ! lipoxygenase inhibitor +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:16319 +name: 2-acetamido-5-oxopentanoic acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:24313 ! glutamic semialdehyde + +[Term] +id: CHEBI:16320 +name: (R)-3-aminoisobutyric acid +is_a: CHEBI:27389 ! 3-aminoisobutyric acid + +[Term] +id: CHEBI:16321 +name: 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:33823 ! enol + +[Term] +id: CHEBI:16322 +name: myo-inositol 1,3,4,5,6-pentakisphosphate +is_a: CHEBI:25447 ! myo-inositol pentakisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16324 +name: rifamycin O +is_a: CHEBI:26580 ! rifamycins + +[Term] +id: CHEBI:16325 +name: lithocholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16326 +name: alpha-D-hexose 1-phosphate +is_a: CHEBI:24588 ! hexose 1-phosphate + +[Term] +id: CHEBI:16327 +name: 2-oxosuccinamic acid +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide + +[Term] +id: CHEBI:16329 +name: UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine +is_a: CHEBI:35257 ! UDP-glycopeptide + +[Term] +id: CHEBI:16330 +name: 17beta-hydroxy-5alpha-androstan-3-one +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:85278 ! 17beta-hydroxyandrostan-3-one +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:16331 +name: phloretate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:16332 +name: D-xylulose 5-phosphate +is_a: CHEBI:27354 ! xylulose 5-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16333 +name: 2-arylpropionic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:16335 +name: adenosine +is_a: CHEBI:142355 ! purines D-ribonucleoside +is_a: CHEBI:22260 ! adenosines +relationship: has_role CHEBI:35480 ! analgesic +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:38070 ! anti-arrhythmia drug +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16336 +name: hyaluronic acid +is_a: CHEBI:37395 ! mucopolysaccharide +is_a: CHEBI:72813 ! exopolysaccharide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16337 +name: phosphatidic acid +is_a: CHEBI:37739 ! glycerophospholipid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16338 +name: 4-hydroxy-L-glutamate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:16342 +name: L-5-carboxymethylhydantoin +is_a: CHEBI:24628 ! imidazolidine-2,4-dione + +[Term] +id: CHEBI:16343 +name: phenylethanolamine +is_a: CHEBI:25990 ! phenylethanolamines +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16344 +name: guanidinoacetic acid +is_a: CHEBI:24439 ! guanidinoacetic acids +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:16345 +name: 3-sulfino-L-alanine +is_a: CHEBI:37783 ! organosulfinic acid +is_a: CHEBI:47910 ! S-substituted L-cysteine +relationship: has_role CHEBI:61966 ! metabotropic glutamate receptor agonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16346 +name: (S)-1-phenylethanol +is_a: CHEBI:669 ! 1-phenylethanol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16347 +name: (R)-carnitine +is_a: CHEBI:17126 ! carnitine +relationship: has_role CHEBI:27314 ! water-soluble vitamin +relationship: has_role CHEBI:33229 ! vitamin +relationship: has_role CHEBI:35679 ! antilipemic drug +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:66980 ! nootropic agent +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16348 +name: 3-nitropropanoic acid +is_a: CHEBI:35716 ! C-nitro compound +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:64912 ! antimycobacterial drug +relationship: has_role CHEBI:83072 ! EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor + +[Term] +id: CHEBI:16349 +name: L-citrulline +is_a: CHEBI:18211 ! citrulline +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50267 ! protective agent +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16350 +name: 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:37016 ! 2'-deoxyribonucleoside 5'-phosphate + +[Term] +id: CHEBI:16351 +name: 2-(alpha-D-mannosyl)-3-phosphoglyceric acid +is_a: CHEBI:25405 ! monophosphoglyceric acid + +[Term] +id: CHEBI:16352 +name: 4-hydroxy-1-pyrroline-2-carboxylic acid +is_a: CHEBI:19098 ! 1-pyrrolinecarboxylic acid +is_a: CHEBI:23591 ! dehydroamino acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16353 +name: sinapine +is_a: CHEBI:35287 ! acylcholine +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:26087 ! photosynthetic electron-transport chain inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16354 +name: N-methylhydantoin +is_a: CHEBI:24628 ! imidazolidine-2,4-dione +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16355 +name: 1-iodo-2-methoxybenzene +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:37142 ! organoiodine compound + +[Term] +id: CHEBI:16356 +name: 3',5'-cyclic GMP +is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide +is_a: CHEBI:61295 ! guanyl ribonucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16357 +name: 3-(pyrazol-1-yl)-L-alanine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative + +[Term] +id: CHEBI:16358 +name: (R)-vicianin +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:16359 +name: cholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:27114 ! trihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16362 +name: D-aldose +is_a: CHEBI:15693 ! aldose + +[Term] +id: CHEBI:16363 +name: alpha-santonin +is_a: CHEBI:26604 ! santonin +is_a: CHEBI:86494 ! botanical anti-fungal agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16364 +name: pyridine-2,5-diol +is_a: CHEBI:23793 ! dihydroxypyridine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16365 +name: quinolin-2-ol +is_a: CHEBI:38775 ! monohydroxyquinoline +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:16366 +name: anthocyanidin cation +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:47916 ! flavonoid + +[Term] +id: CHEBI:16367 +name: N(tele)-methyl-L-histidine residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:16368 +name: 6-hydroxymellein +is_a: CHEBI:38762 ! isochromanes + +[Term] +id: CHEBI:16369 +name: 5-dehydro-4-deoxy-D-glucaric acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:16370 +name: dihydrophloroglucinol +is_a: CHEBI:16204 ! phloroglucinol + +[Term] +id: CHEBI:16372 +name: 4,5alpha-dihydrocortisone +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:23736 ! 4,5-dihydrocortisone + +[Term] +id: CHEBI:16373 +name: (S)-3-(imidazol-5-yl)lactic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:27487 ! 3-(imidazol-5-yl)lactic acid + +[Term] +id: CHEBI:16374 +name: menaquinone +is_a: CHEBI:25185 ! menaquinones +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16375 +name: D-cysteine +is_a: CHEBI:15356 ! cysteine +is_a: CHEBI:16733 ! D-alpha-amino acid + +[Term] +id: CHEBI:16377 +name: sabinene hydrate +is_a: CHEBI:25186 ! p-menthane monoterpenoid + +[Term] +id: CHEBI:16378 +name: threo-3-methyl-L-aspartate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:16379 +name: Co-methyl-Co-5-hydroxybenzimidazolylcob(III)amide +is_a: CHEBI:23341 ! cobamides + +[Term] +id: CHEBI:16380 +name: vindoline +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:27288 ! vinca alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38481 ! alkaloid ester +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:16381 +name: 2'-deoxyribonucleoside 5'-triphosphate +is_a: CHEBI:37016 ! 2'-deoxyribonucleoside 5'-phosphate + +[Term] +id: CHEBI:16382 +name: iodide +is_a: CHEBI:16042 ! halide anion +is_a: CHEBI:36897 ! monoatomic iodine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16383 +name: cis-aconitate(3-) +is_a: CHEBI:22210 ! aconitate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16384 +name: trans-5-O-caffeoyl-D-quinic acid +is_a: CHEBI:36087 ! cinnamate ester +is_a: CHEBI:36123 ! cyclitol carboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16385 +name: organic sulfide +is_a: CHEBI:26822 ! sulfide +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:16387 +name: (R)-N-methylcoclaurine +is_a: CHEBI:38818 ! N-methylcoclaurine + +[Term] +id: CHEBI:16388 +name: 4-hydroxymandelic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16389 +name: ubiquinones +is_a: CHEBI:132124 ! 1,4-benzoquinones +is_a: CHEBI:26255 ! prenylquinone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16390 +name: 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid +is_a: CHEBI:47789 ! 7-oxo steroid + +[Term] +id: CHEBI:16392 +name: D-xylono-1,4-lactone +is_a: CHEBI:27347 ! xylonolactone +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16393 +name: sphingosine +is_a: CHEBI:26743 ! sphing-4-enine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16394 +name: N-methylanthranilic acid +is_a: CHEBI:33856 ! aromatic amino acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16395 +name: N-acetoxy-1,1'-biphenyl-4-amine +is_a: CHEBI:21494 ! N-acetoxyarylamine + +[Term] +id: CHEBI:16397 +name: formamide +is_a: CHEBI:24079 ! formamides +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:46787 ! solvent + +[Term] +id: CHEBI:16398 +name: D-threonine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:26986 ! threonine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16399 +name: N(3)-oxalyl-L-2,3-diaminopropionic acid +is_a: CHEBI:52648 ! N(beta)-acyl-L-2,3-diaminopropionic acid + +[Term] +id: CHEBI:16400 +name: gossypetin +is_a: CHEBI:24561 ! hexahydroxyflavone +is_a: CHEBI:52267 ! 7-hydroxyflavonol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16404 +name: 3-oxoglycyrrhetinic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid + +[Term] +id: CHEBI:16405 +name: 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranose +is_a: CHEBI:24405 ! glycosylglucose + +[Term] +id: CHEBI:16406 +name: 5'-acylphosphoadenosine +is_a: CHEBI:37096 ! adenosine 5'-phosphate + +[Term] +id: CHEBI:16408 +name: vomilenine +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:16409 +name: 5-pyridoxic acid +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:26420 ! pyridinemonocarboxylic acid +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38196 ! hydroxymethylpyridine +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:16410 +name: pyridoxamine +is_a: CHEBI:27306 ! vitamin B6 +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38196 ! hydroxymethylpyridine +is_a: CHEBI:38198 ! aminoalkylpyridine +relationship: has_role CHEBI:38157 ! iron chelator +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76595 ! nephroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16411 +name: indole-3-acetic acid +is_a: CHEBI:24803 ! indole-3-acetic acids +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:22676 ! auxin +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16412 +name: lipopolysaccharide +is_a: CHEBI:35740 ! liposaccharide +is_a: CHEBI:65212 ! polysaccharide derivative +relationship: has_part CHEBI:64637 ! O-polysaccharide + +[Term] +id: CHEBI:16413 +name: but-2-yne-1,4-diol +is_a: CHEBI:22970 ! butynediol + +[Term] +id: CHEBI:16414 +name: L-valine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:26463 ! pyruvate family amino acid +is_a: CHEBI:27266 ! valine +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16415 +name: protopine +is_a: CHEBI:38608 ! dibenzazecine alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16419 +name: limonoic acid +is_a: CHEBI:24129 ! furans +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:39434 ! limonoid + +[Term] +id: CHEBI:16421 +name: 1-deoxy-D-altro-heptulose 7-phosphate +is_a: CHEBI:35133 ! ketoheptose phosphate +is_a: CHEBI:63403 ! sedoheptulose derivative + +[Term] +id: CHEBI:16422 +name: androst-4-ene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:16423 +name: (9Z)-octadec-9-en-12-ynoic acid +is_a: CHEBI:25635 ! octadecenynoic acid + +[Term] +id: CHEBI:16424 +name: phenylacetaldehyde +is_a: CHEBI:25973 ! phenylacetaldehydes +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16425 +name: 16-epivellosimine +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38958 ! indole alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16426 +name: 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:36948 ! oxoalkyl phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16427 +name: mono(glucosyluronic acid)bilirubin +is_a: CHEBI:22872 ! (glucosyluronic acid)bilirubin + +[Term] +id: CHEBI:16428 +name: 4-coumaroylshikimic acid +is_a: CHEBI:23483 ! cyclohexenecarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:16430 +name: precorrin-4 +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:16431 +name: limonene 1,2-epoxide +is_a: CHEBI:25040 ! limonene monoterpenoid +is_a: CHEBI:32955 ! epoxide +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16433 +name: trans-caffeic acid +is_a: CHEBI:36281 ! caffeic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16434 +name: N-hydroxy-4-acetylaminobiphenyl +is_a: CHEBI:24650 ! hydroxamic acid + +[Term] +id: CHEBI:16435 +name: UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:16436 +name: CDP-choline +is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s +is_a: CHEBI:36700 ! phosphocholines +relationship: has_role CHEBI:35471 ! psychotropic drug +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16437 +name: N-acetyl-L-histidine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:16439 +name: N-(carboxymethyl)-D-alanine +is_a: CHEBI:83944 ! D-alanine derivative + +[Term] +id: CHEBI:16440 +name: N-methyl-L-glutamic acid +is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid +is_a: CHEBI:83982 ! L-glutamic acid derivative +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:16441 +name: linamarin +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:16443 +name: D-tagatose +is_a: CHEBI:33954 ! tagatose +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:16444 +name: 2-acetyllactic acid +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16445 +name: stipitatonic acid +is_a: CHEBI:36609 ! cyclic dicarboxylic anhydride +is_a: CHEBI:39435 ! cycloheptafuran + +[Term] +id: CHEBI:16446 +name: N-acetyl-alpha-D-glucosamine 1-phosphate +is_a: CHEBI:7125 ! 2-acetamido-2-deoxy-D-glucopyranose 1-phosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16449 +name: alanine +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16450 +name: 2'-deoxyuridine +is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16452 +name: oxaloacetate(2-) +is_a: CHEBI:133294 ! oxo dicarboxylic acid dianion +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16453 +name: 1,4,5,6-tetrahydro-6-oxonicotinic acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:16454 +name: pantothenate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16455 +name: 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid + +[Term] +id: CHEBI:16456 +name: 2-(2-hydroxyacyl)sphingosine +is_a: CHEBI:52639 ! N-acylsphingosine + +[Term] +id: CHEBI:16457 +name: S,S-dimethyl-beta-propiothetin +is_a: CHEBI:35282 ! sulfonium betaine +relationship: has_role CHEBI:25728 ! osmolyte +relationship: has_role CHEBI:76507 ! marine metabolite + +[Term] +id: CHEBI:16458 +name: triacetate lactone +is_a: CHEBI:75885 ! 2-pyranones + +[Term] +id: CHEBI:16459 +name: pentanamide +is_a: CHEBI:29347 ! monocarboxylic acid amide + +[Term] +id: CHEBI:16460 +name: polyprenol phosphate +is_a: CHEBI:26250 ! prenol phosphate +is_a: CHEBI:26875 ! terpenyl phosphate + +[Term] +id: CHEBI:16461 +name: tauropine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:33551 ! organosulfonic acid +is_a: CHEBI:83944 ! D-alanine derivative + +[Term] +id: CHEBI:16463 +name: N-methylethanolamine phosphate +is_a: CHEBI:36711 ! phosphoethanolamine + +[Term] +id: CHEBI:16464 +name: salicyl alcohol +is_a: CHEBI:24679 ! hydroxybenzyl alcohol +is_a: CHEBI:33857 ! aromatic primary alcohol +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:16466 +name: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:36884 ! 26-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16467 +name: L-arginine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:24318 ! glutamine family amino acid +is_a: CHEBI:29016 ! arginine +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16468 +name: maleylacetate +is_a: CHEBI:12040 ! 4-oxohex-2-enedioate + +[Term] +id: CHEBI:16469 +name: 17beta-estradiol +is_a: CHEBI:23965 ! estradiol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:62872 ! EC 1.2.3.1 (aldehyde oxidase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:16470 +name: glyceollin +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:16471 +name: (dimethylsulfonio)acetate +is_a: CHEBI:35282 ! sulfonium betaine + +[Term] +id: CHEBI:16472 +name: pentan-2-one +is_a: CHEBI:25892 ! pentanone +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16473 +name: cortisol 21-sulfate +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:23396 ! cortisol ester +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16474 +name: NADPH +is_a: CHEBI:13392 ! NAD(P)H +is_a: CHEBI:25523 ! NADP +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16475 +name: 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:16478 +name: N-acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-D-galactosaminyl group +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16479 +name: streptomycin 6-phosphate +is_a: CHEBI:26787 ! streptomycin phosphate + +[Term] +id: CHEBI:16480 +name: nitric oxide +is_a: CHEBI:26523 ! reactive oxygen species +is_a: CHEBI:35196 ! nitrogen oxide +is_a: CHEBI:36871 ! inorganic radical +is_a: CHEBI:62764 ! reactive nitrogen species +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:35523 ! bronchodilator agent +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16481 +name: N-(hydroxymethyl)urea +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:16482 +name: naphthalene +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:35426 ! ortho-fused bicyclic arene +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:68494 ! apoptosis inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:16483 +name: isonocardicin A +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:25572 ! nocardicin +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:84133 ! D-serine derivative + +[Term] +id: CHEBI:16485 +name: 18-hydroxycorticosterone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36855 ! 18-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47788 ! 3-oxo steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16486 +name: cyclopentanone +is_a: CHEBI:36140 ! cyclopentanones +relationship: has_role CHEBI:77523 ! Maillard reaction product + +[Term] +id: CHEBI:16487 +name: benzyl cetraxate +is_a: CHEBI:23084 ! cetraxates +is_a: CHEBI:90628 ! benzyl ester + +[Term] +id: CHEBI:16488 +name: meso-2,6-diaminopimelic acid +is_a: CHEBI:23673 ! 2,6-diaminopimelic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16489 +name: lumazine +is_a: CHEBI:73186 ! 2,4-dihydroxypteridine + +[Term] +id: CHEBI:16490 +name: S-adenosyl-4-methylthio-2-oxobutanoate +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:35282 ! sulfonium betaine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16492 +name: nucleoside 3'-phosphate +is_a: CHEBI:29075 ! mononucleotide + +[Term] +id: CHEBI:16493 +name: 1-deoxy-D-xylulose 5-phosphate +is_a: CHEBI:27355 ! xylulose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16494 +name: lipoic acid +is_a: CHEBI:39192 ! dithiolanes +is_a: CHEBI:48847 ! heterocyclic fatty acid +is_a: CHEBI:59643 ! thia fatty acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16495 +name: 4alpha-methyllathosterone +is_a: CHEBI:71598 ! 3-oxo Delta(7)-steroid + +[Term] +id: CHEBI:16496 +name: 5beta-cholestane-3alpha,7alpha,12alpha-triol +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16497 +name: dGTP +is_a: CHEBI:23625 ! deoxyguanosine phosphate +is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate +is_a: CHEBI:63573 ! guanyl deoxyribonucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16498 +name: N-acylneuraminic acid +is_a: CHEBI:26667 ! sialic acid + +[Term] +id: CHEBI:165 +name: (1S,4R)-fenchone +is_a: CHEBI:4999 ! fenchone + +[Term] +id: CHEBI:16500 +name: 1-phosphatidyl-1D-myo-inositol 5-phosphate +is_a: CHEBI:37329 ! phosphatidylinositol 5-phosphate + +[Term] +id: CHEBI:16501 +name: L-arabinonate +is_a: CHEBI:22595 ! arabinonate + +[Term] +id: CHEBI:16503 +name: selane +is_a: CHEBI:36903 ! selenium hydride +is_a: CHEBI:37176 ! mononuclear parent hydride +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16504 +name: monodehydro-L-ascorbic acid +is_a: CHEBI:36872 ! organic radical +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16505 +name: dihydrostreptomycin 6-phosphate +is_a: CHEBI:26787 ! streptomycin phosphate + +[Term] +id: CHEBI:16506 +name: N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:23073 ! glycopentaosylceramide + +[Term] +id: CHEBI:16507 +name: 1D-myo-inositol 1,2,4,5,6-pentakisphosphate +is_a: CHEBI:25447 ! myo-inositol pentakisphosphate + +[Term] +id: CHEBI:16508 +name: cis,cis-muconic acid +is_a: CHEBI:38407 ! muconic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:16509 +name: 1,4-benzoquinone +is_a: CHEBI:132124 ! 1,4-benzoquinones +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:16510 +name: 3-hydroxypropionate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16511 +name: N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:21635 ! N-acyl-D-glucosamine 1-phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16512 +name: (S)-N-methylcanadine +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:16513 +name: hydroxymalonic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16514 +name: 4',5,7-trihydroxy-3'-methoxyflavone +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:27116 ! trihydroxyflavone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:16515 +name: 3-ADP-glyceric acid +is_a: CHEBI:25405 ! monophosphoglyceric acid +is_a: CHEBI:37398 ! nucleotide-aldonic acid +is_a: CHEBI:63455 ! tetronic acid derivative + +[Term] +id: CHEBI:16516 +name: 2'-deoxyribonucleoside triphosphate +is_a: CHEBI:17326 ! nucleoside triphosphate + +[Term] +id: CHEBI:16517 +name: cyclotriphosphoric acid +is_a: CHEBI:33457 ! phosphorus oxoacid +is_a: CHEBI:33596 ! inorganic heterocyclic compound +is_a: CHEBI:37798 ! cyclic phosphorus acid anhydride + +[Term] +id: CHEBI:16521 +name: lanosterol +is_a: CHEBI:138029 ! 14alpha-methyl steroid +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16522 +name: trans-zeatin +is_a: CHEBI:15333 ! zeatin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16523 +name: D-serine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:17822 ! serine +relationship: has_role CHEBI:64571 ! NMDA receptor agonist +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16524 +name: testosterone acetate +is_a: CHEBI:35915 ! sterol ester +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16525 +name: taurochenodeoxycholic acid +is_a: CHEBI:23219 ! bile acid taurine conjugate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16526 +name: carbon dioxide +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:23014 ! carbon oxide +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:38867 ! anaesthetic +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:48706 ! antagonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76413 ! greenhouse gas +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:77974 ! food packaging gas +relationship: has_role CHEBI:78017 ! food propellant +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:16530 +name: 3-methyl-2-oxobutanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16531 +name: Renilla luciferin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37847 ! imidazopyrazine +relationship: has_role CHEBI:25078 ! luciferin + +[Term] +id: CHEBI:16532 +name: N-benzyloxycarbonylglycine +is_a: CHEBI:16180 ! N-acylglycine + +[Term] +id: CHEBI:16533 +name: L-tryptophanamide +is_a: CHEBI:22475 ! amino acid amide +is_a: CHEBI:27164 ! tryptophan derivative +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16534 +name: D-galactonic acid +is_a: CHEBI:24149 ! galactonic acid + +[Term] +id: CHEBI:16535 +name: piperazine-2,5-dione +is_a: CHEBI:23449 ! cyclic peptide +is_a: CHEBI:65061 ! 2,5-diketopiperazines + +[Term] +id: CHEBI:16536 +name: orcinol +is_a: CHEBI:52679 ! 5-alkylresorcinol +is_a: CHEBI:64532 ! dihydroxytoluene +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:16537 +name: galactarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:48871 ! galactaric acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16540 +name: pyridin-2-ol +is_a: CHEBI:38182 ! monohydroxypyridine +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16541 +name: protein polypeptide chain +is_a: CHEBI:15841 ! polypeptide +relationship: has_part CHEBI:33700 ! proteinogenic amino-acid residue + +[Term] +id: CHEBI:16542 +name: L-serine phosphoethanolamine +is_a: CHEBI:15916 ! serine phosphoethanolamine + +[Term] +id: CHEBI:16543 +name: N(2)-acetyl-L-ornithine +is_a: CHEBI:21815 ! N2-acyl-L-ornithine +is_a: CHEBI:86496 ! acetyl-L-ornithine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16544 +name: UDP-N-acetyl-D-galactosamine 4,6-bissulfate +is_a: CHEBI:37861 ! nucleotide-sugar sulfate + +[Term] +id: CHEBI:16545 +name: 5-valerolactone +is_a: CHEBI:18946 ! delta-lactone + +[Term] +id: CHEBI:16546 +name: 1-O-sinapoyl-beta-D-glucose +is_a: CHEBI:24282 ! glucosyl hydroxycinnamic acid +is_a: CHEBI:36087 ! cinnamate ester +is_a: CHEBI:51681 ! dimethoxybenzene +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16547 +name: coniferyl aldehyde +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:23245 ! cinnamaldehydes +is_a: CHEBI:26004 ! phenylpropanoid +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16548 +name: chlordecone +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:24852 ! insecticide +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:16549 +name: UDP-2-acetamido-4-amino-2,4,6-trideoxy-D-glucose +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:16550 +name: xanthommatin +is_a: CHEBI:27323 ! xanthommatins + +[Term] +id: CHEBI:16551 +name: alpha,alpha-trehalose +is_a: CHEBI:27082 ! trehalose +is_a: CHEBI:27084 ! trehalose phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16552 +name: N-formyl-L-methionine +is_a: CHEBI:50759 ! N-formyl amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +is_a: CHEBI:84121 ! L-methionine derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16553 +name: UDP-4-dehydro-6-deoxy-D-glucose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:16554 +name: sym-homospermidine +is_a: CHEBI:38751 ! triamine +is_a: CHEBI:39474 ! polyazaalkane + +[Term] +id: CHEBI:16556 +name: CMP-N-acetyl-beta-neuraminic acid +is_a: CHEBI:16788 ! CMP-N-acyl-beta-neuraminic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16557 +name: quercetin 3,3',7-trissulfate +is_a: CHEBI:26483 ! quercetin trissulfate +is_a: CHEBI:38686 ! dihydroxyflavone + +[Term] +id: CHEBI:16558 +name: triacetic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:16562 +name: 2-phenylacetamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16563 +name: tetrahydropalmatine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:38163 ! organic heterotetracyclic compound +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:37962 ! adrenergic agent +relationship: has_role CHEBI:48561 ! dopaminergic antagonist + +[Term] +id: CHEBI:16566 +name: sphinganine +is_a: CHEBI:46968 ! 2-aminooctadecane-1,3-diol +relationship: has_role CHEBI:37700 ! EC 2.7.11.13 (protein kinase C) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16567 +name: anthranilate +is_a: CHEBI:22494 ! aminobenzoate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16568 +name: 5,10-methylenetetrahydromethanopterin +is_a: CHEBI:26914 ! tetrahydromethanopterin + +[Term] +id: CHEBI:16569 +name: 3-hydroxyquinolin-4(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:16570 +name: N(6)-hydroxy-L-lysine +is_a: CHEBI:24661 ! hydroxy-L-lysine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:16571 +name: oxidised poly(vinyl alcohol) +is_a: CHEBI:37997 ! homopolymer macromolecule + +[Term] +id: CHEBI:16572 +name: 3-ethylcatechol +is_a: CHEBI:20016 ! 3-ethylcatechols + +[Term] +id: CHEBI:16573 +name: carbonyl sulfide +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:16576 +name: D-alanyl-D-alanine +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16577 +name: 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16578 +name: 4-CDP-2-C-methyl-D-erythritol +is_a: CHEBI:22294 ! alditol 4-phosphate +is_a: CHEBI:26980 ! tetritol phosphate +is_a: CHEBI:35240 ! nucleotide-alditol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16579 +name: anisole +is_a: CHEBI:25235 ! monomethoxybenzene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16581 +name: pregnenolone +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16582 +name: oxaluric acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:47857 ! ureas +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16583 +name: butane-2,3-dione +is_a: CHEBI:51869 ! alpha-diketone +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16584 +name: isopentenyl diphosphate +is_a: CHEBI:26250 ! prenol phosphate +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:59544 ! phosphoantigen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16585 +name: L-lombricine +is_a: CHEBI:25072 ! lombricine + +[Term] +id: CHEBI:16586 +name: 6-aminohexanoic acid +is_a: CHEBI:35958 ! epsilon-amino acid +is_a: CHEBI:59758 ! omega-amino fatty acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48675 ! antifibrinolytic drug +relationship: has_role CHEBI:50248 ! hematologic agent + +[Term] +id: CHEBI:16587 +name: 20-hydroxyecdysone +is_a: CHEBI:23897 ! ecdysteroid +is_a: CHEBI:26118 ! phytoecdysteroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36854 ! 20-hydroxy steroid +is_a: CHEBI:36859 ! 2beta-hydroxy steroid +is_a: CHEBI:36861 ! 14alpha-hydroxy steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:36864 ! 25-hydroxy steroid +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16588 +name: D-hamamelose 2(1)-(dihydrogen phosphate) +is_a: CHEBI:35160 ! phosphomethylribose + +[Term] +id: CHEBI:16590 +name: O-feruloylgalactaric acid +is_a: CHEBI:24138 ! galactaric acid derivative +is_a: CHEBI:52782 ! O-acyl carbohydrate + +[Term] +id: CHEBI:16591 +name: all-trans-undecaprenol +is_a: CHEBI:27191 ! undecaprenols +is_a: CHEBI:77396 ! long-chain primary fatty alcohol + +[Term] +id: CHEBI:16592 +name: (S)-canadine +is_a: CHEBI:22998 ! canadine +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16593 +name: L-xylulose 5-phosphate +is_a: CHEBI:27354 ! xylulose 5-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16594 +name: 2,4-diaminopentanoate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:16595 +name: 1D-myo-inositol 1,4,5-trisphosphate +is_a: CHEBI:25450 ! myo-inositol trisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16596 +name: cyanidin 3-O-rutinoside 5-O-beta-D-glucoside +is_a: CHEBI:140278 ! 5-hydroxyanthocyanin O-beta-D-glucoside +is_a: CHEBI:26587 ! rutinoside +is_a: CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:16597 +name: glycerol 1,2-cyclic phosphate +is_a: CHEBI:26707 ! glycerol phosphate + +[Term] +id: CHEBI:16598 +name: DDE +is_a: CHEBI:23155 ! chlorophenylethylene +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:16599 +name: 1,2-diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol +is_a: CHEBI:63425 ! galactosylglycerol derivative + +[Term] +id: CHEBI:166 +name: (+)-isodihydrocarvone +is_a: CHEBI:23733 ! dihydrocarvone + +[Term] +id: CHEBI:16600 +name: mesaconic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16602 +name: trichloroethene +is_a: CHEBI:23142 ! chloroethenes +relationship: has_role CHEBI:38870 ! inhalation anaesthetic +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16603 +name: DIMBOA glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:23445 ! cyclic hydroxamic acid +is_a: CHEBI:46969 ! benzoxazine +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16605 +name: allyl alcohol +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:26300 ! propenol +relationship: has_role CHEBI:24127 ! fungicide +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:24852 ! insecticide +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16606 +name: N-benzoyl-4-hydroxyanthranilic acid +is_a: CHEBI:48470 ! amidobenzoic acid + +[Term] +id: CHEBI:16607 +name: 4-aminoimidazole +is_a: CHEBI:22512 ! aminoimidazole + +[Term] +id: CHEBI:16608 +name: 5alpha-cholest-8-en-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16609 +name: 2-dehydro-D-glucopyranose +is_a: CHEBI:55396 ! 2-dehydropyranose + +[Term] +id: CHEBI:16610 +name: spermidine +is_a: CHEBI:38751 ! triamine +is_a: CHEBI:39474 ! polyazaalkane +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16613 +name: glutathionylspermidine +is_a: CHEBI:24337 ! glutathione derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16615 +name: biotin amide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:51570 ! biotins +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16616 +name: 2-methylpropanal O-methyloxime +is_a: CHEBI:36816 ! oxime O-ether + +[Term] +id: CHEBI:16617 +name: 1-acylglycerophosphoinositol +is_a: CHEBI:36315 ! glycerophosphoinositol + +[Term] +id: CHEBI:16618 +name: 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate +is_a: CHEBI:60169 ! phosphatidylinositol trisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16619 +name: (2-trans,6-trans)-farnesol +is_a: CHEBI:28600 ! farnesol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16620 +name: dTDP-4-dehydro-6-deoxy-D-galactose +is_a: CHEBI:22080 ! TDP-sugar + +[Term] +id: CHEBI:16621 +name: N-phosphotaurocyamine +is_a: CHEBI:17102 ! phosphoramide + +[Term] +id: CHEBI:16622 +name: 3-dehydro-2-deoxy-D-gluconic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:16625 +name: methylmalonyl-CoA +is_a: CHEBI:25136 ! malonyl-CoAs +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16628 +name: methylguanidine +is_a: CHEBI:24436 ! guanidines +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor +relationship: has_role CHEBI:64584 ! uremic toxin + +[Term] +id: CHEBI:16629 +name: 4-amino-2-methyl-5-diphosphooxymethylpyrimidine +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:46731 ! alkyl diphosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16630 +name: 3-dehydroshikimate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16631 +name: vitexin 2''-O-beta-D-glucoside +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:16632 +name: vanillate +is_a: CHEBI:25236 ! methoxybenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16633 +name: L-selenocysteine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +is_a: CHEBI:83943 ! L-alanine derivative +is_a: CHEBI:9093 ! selenocysteine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16634 +name: raffinose +is_a: CHEBI:27150 ! trisaccharide +is_a: CHEBI:74961 ! raffinose family oligosaccharide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16638 +name: 3-methylbutanal +is_a: CHEBI:25282 ! methylbutanal +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16639 +name: 4-methoxybenzoate +is_a: CHEBI:25236 ! methoxybenzoate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16641 +name: ethyl (R)-3-hydroxyhexanoate +is_a: CHEBI:23997 ! ethyl 3-hydroxyhexanoate + +[Term] +id: CHEBI:16643 +name: L-methionine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:16811 ! methionine +is_a: CHEBI:22658 ! aspartate family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:74529 ! antidote to paracetamol poisoning +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16645 +name: preuroporphyrinogen +is_a: CHEBI:22866 ! bilanes +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16646 +name: carbohydrate +is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives + +[Term] +id: CHEBI:16647 +name: L-fuculose 1-phosphate +is_a: CHEBI:24964 ! deoxyketohexose phosphate + +[Term] +id: CHEBI:16648 +name: dialkyl phosphate +is_a: CHEBI:22324 ! alkyl phosphate + +[Term] +id: CHEBI:16650 +name: UDP-N-acetyl-D-galactosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:16651 +name: (S)-lactate +is_a: CHEBI:24996 ! lactate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16652 +name: 1,4-diguanidinobutane +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:16653 +name: cycloeucalenol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:35348 ! 3beta-sterol + +[Term] +id: CHEBI:16654 +name: (R)-4-dehydropantoic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:16655 +name: N-acetyl-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-D-galactosamine +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:22484 ! galactosamine oligosaccharide + +[Term] +id: CHEBI:16656 +name: tropinone +is_a: CHEBI:37332 ! tropane alkaloid + +[Term] +id: CHEBI:16658 +name: flavonol 3-O-[beta-D-xylosyl-(1->2)-beta-D-glycoside]s +is_a: CHEBI:19946 ! xylosylglycoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:16659 +name: D-glycerate +is_a: CHEBI:33871 ! glycerate +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16660 +name: (S)-4-hydroxymandelonitrile +is_a: CHEBI:18115 ! 4-hydroxymandelonitrile + +[Term] +id: CHEBI:16663 +name: poly-cis-polyprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:16664 +name: albendazole +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:35683 ! aryl sulfide +is_a: CHEBI:87064 ! benzimidazolylcarbamate fungicide +relationship: has_role CHEBI:35443 ! anthelminthic drug +relationship: has_role CHEBI:60832 ! tubulin modulator +relationship: has_role CHEBI:61951 ! microtubule-destabilising agent + +[Term] +id: CHEBI:16666 +name: prephenic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16667 +name: (4-hydroxyphenyl)acetonitrile +is_a: CHEBI:24730 ! hydroxynitrile +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16668 +name: hypotaurine +is_a: CHEBI:37794 ! aminosulfinic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16669 +name: 5-dehydro-2-deoxy-D-gluconate +is_a: CHEBI:24961 ! ketoaldonate + +[Term] +id: CHEBI:16670 +name: peptide +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:50047 ! organic amino compound +relationship: has_part CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:16671 +name: 4-guanidinobutanal +is_a: CHEBI:22939 ! butanals + +[Term] +id: CHEBI:16673 +name: protochlorophyllide +is_a: CHEBI:26354 ! protochlorophyllides +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:16675 +name: quinolinic acid +is_a: CHEBI:36112 ! pyridinedicarboxylic acid +relationship: has_role CHEBI:64571 ! NMDA receptor agonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16680 +name: S-adenosyl-L-homocysteine +is_a: CHEBI:136505 ! homocysteine derivative +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:24610 ! homocysteines +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:65064 ! EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor +relationship: has_role CHEBI:65065 ! EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16681 +name: O-sinapoylglucaric acid +is_a: CHEBI:52782 ! O-acyl carbohydrate + +[Term] +id: CHEBI:16682 +name: N-acetyl-beta-alanine +is_a: CHEBI:21575 ! N-acetyl-amino acid +is_a: CHEBI:22823 ! beta-alanine derivative + +[Term] +id: CHEBI:16683 +name: 2,3,6-trihydroxypyridine +is_a: CHEBI:27120 ! triihydroxypyridine + +[Term] +id: CHEBI:16684 +name: atropine +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:17486 ! (S)-atropine +relationship: has_part CHEBI:48882 ! (R)-atropine +relationship: has_role CHEBI:136860 ! antidote to sarin poisoning +relationship: has_role CHEBI:35523 ! bronchodilator agent +relationship: has_role CHEBI:38070 ! anti-arrhythmia drug +relationship: has_role CHEBI:48876 ! muscarinic antagonist +relationship: has_role CHEBI:50370 ! parasympatholytic +relationship: has_role CHEBI:50513 ! mydriatic agent +relationship: has_role CHEBI:60807 ! anaesthesia adjuvant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16685 +name: 5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylic acid +is_a: CHEBI:23793 ! dihydroxypyridine + +[Term] +id: CHEBI:16688 +name: ecdysone +is_a: CHEBI:23897 ! ecdysteroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36859 ! 2beta-hydroxy steroid +is_a: CHEBI:36861 ! 14alpha-hydroxy steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:36864 ! 25-hydroxy steroid +is_a: CHEBI:36883 ! 6-oxo steroid +relationship: has_role CHEBI:71212 ! prohormone + +[Term] +id: CHEBI:16689 +name: D-apiose +is_a: CHEBI:26938 ! tetrose + +[Term] +id: CHEBI:16690 +name: guanosine 3'-diphosphate 5'-triphosphate +is_a: CHEBI:37121 ! guanosine 5'-phosphate +is_a: CHEBI:37124 ! guanosine bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16691 +name: dethiobiotin +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:55370 ! imidazolidinone +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16692 +name: diphthamide residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:16693 +name: ADP-D-glycero-D-manno-heptose +is_a: CHEBI:20847 ! ADP-glycero-D-manno-heptose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16694 +name: 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:16695 +name: uridine 5'-monophosphate +is_a: CHEBI:27232 ! uridine 5'-phosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16696 +name: 3-methylthiopropylamine +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:16697 +name: indan-1-ol +is_a: CHEBI:30879 ! alcohol +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:16698 +name: cyanamide +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:35487 ! EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor + +[Term] +id: CHEBI:16699 +name: 2-dehydro-3-deoxy-D-arabinonate +is_a: CHEBI:24961 ! ketoaldonate +is_a: CHEBI:33764 ! arabinonates + +[Term] +id: CHEBI:1670 +name: 3-ureidoisobutyric acid +is_a: CHEBI:49052 ! ureidocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16700 +name: indican +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:24821 ! indolyl carbohydrate +is_a: CHEBI:72813 ! exopolysaccharide + +[Term] +id: CHEBI:16701 +name: nucleoside 5'-phosphate +is_a: CHEBI:29075 ! mononucleotide + +[Term] +id: CHEBI:16702 +name: N-sulfo-D-glucosamine +is_a: CHEBI:21794 ! N-sulfoglucosamine + +[Term] +id: CHEBI:16704 +name: uridine +is_a: CHEBI:27242 ! uridines +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16705 +name: 6-aminopenicillanic acid +is_a: CHEBI:25865 ! penicillanic acids + +[Term] +id: CHEBI:16706 +name: 2-iodophenol +is_a: CHEBI:24863 ! iodophenol +is_a: CHEBI:53291 ! 2-halophenol + +[Term] +id: CHEBI:16708 +name: adenine +is_a: CHEBI:20706 ! 6-aminopurines +is_a: CHEBI:26386 ! purine nucleobase +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:16709 +name: pyridoxine +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:27306 ! vitamin B6 +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38196 ! hydroxymethylpyridine +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16710 +name: D-ribulose 1,5-bisphosphate +is_a: CHEBI:26573 ! ribulose phosphate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16711 +name: 4-hydroxybut-2-ynal +is_a: CHEBI:51720 ! ynal + +[Term] +id: CHEBI:16712 +name: (S)-3-sulfolactic acid +is_a: CHEBI:38023 ! 3-sulfolactic acid + +[Term] +id: CHEBI:16713 +name: 2-aminopteridine-4,7-diol +is_a: CHEBI:23792 ! dihydroxypteridine + +[Term] +id: CHEBI:16714 +name: codeine +is_a: CHEBI:25418 ! morphinane alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound +relationship: has_role CHEBI:35482 ! opioid analgesic +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:51177 ! antitussive +relationship: has_role CHEBI:60606 ! opioid receptor agonist +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:16715 +name: 1,5-anhydro-D-fructose +is_a: CHEBI:131907 ! 3-pyrones +is_a: CHEBI:22557 ! anhydrohexose +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:27136 ! triol +is_a: CHEBI:37407 ! cyclic ether +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:16716 +name: benzene +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:33842 ! aromatic annulene +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:16717 +name: (Z)-but-2-ene-1,2,3-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16718 +name: (S)-reticuline +is_a: CHEBI:26533 ! reticuline +relationship: has_role CHEBI:77111 ! EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor + +[Term] +id: CHEBI:16719 +name: (R)-pantolactone +is_a: CHEBI:22950 ! butan-4-olide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16723 +name: 4-methylthio-2-oxobutanoate +is_a: CHEBI:133493 ! omega-(methylthio)-2-oxocarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16724 +name: 4-hydroxybutyrate +is_a: CHEBI:136596 ! 4-hydroxy monocarboxylic acid anion +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +relationship: has_role CHEBI:38877 ! intravenous anaesthetic +relationship: has_role CHEBI:60807 ! anaesthesia adjuvant + +[Term] +id: CHEBI:16725 +name: 2,3-dihydroxy-p-cumic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid + +[Term] +id: CHEBI:16727 +name: 3-maleylpyruvate(2-) +is_a: CHEBI:47941 ! 4,6-dioxohept-2-enedioate + +[Term] +id: CHEBI:16728 +name: 2-acyl-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:11502 ! 2-acylglycerophosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16729 +name: formyl dihydrogen phosphate +is_a: CHEBI:16826 ! acyl monophosphate +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:16730 +name: chloramphenicol 3-acetate +is_a: CHEBI:47622 ! acetate ester + +[Term] +id: CHEBI:16731 +name: cinnamaldehyde +is_a: CHEBI:23245 ! cinnamaldehydes +relationship: has_role CHEBI:139492 ! sensitiser +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:62871 ! EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16732 +name: CDP-ethanolamine +is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s +is_a: CHEBI:36711 ! phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16733 +name: D-alpha-amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:16734 +name: N-acetyl-D-tryptophan +is_a: CHEBI:21501 ! N-acetyl-D-amino acid +is_a: CHEBI:47997 ! D-tryptophan derivative + +[Term] +id: CHEBI:16735 +name: 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose +is_a: CHEBI:20361 ! (4-deoxygluc-4-enosyluronic acid)-(1->3)-N-acetyl-D-galactosamine sulfate +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:16737 +name: creatinine +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:55370 ! imidazolidinone +relationship: has_role CHEBI:33295 ! diagnostic agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16738 +name: 2,4-dichlorophenol +is_a: CHEBI:23702 ! dichlorophenol + +[Term] +id: CHEBI:16739 +name: 2-furoate +is_a: CHEBI:36056 ! furancarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:16740 +name: trans-cyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:18887 ! cyclohexa-3,5-diene-1,2-diol + +[Term] +id: CHEBI:16741 +name: 4-(beta-D-glucosyloxy)benzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:16742 +name: orotic acid +is_a: CHEBI:26447 ! pyrimidinemonocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16743 +name: D-tagatose 1,6-bisphosphate +is_a: CHEBI:24970 ! ketohexose bisphosphate +is_a: CHEBI:33953 ! tagatose derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16744 +name: pregna-4,9(11)-diene-3,20-dione +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:16746 +name: 1,2,3,5-tetrahydroxybenzene +is_a: CHEBI:22706 ! benzenetetrol + +[Term] +id: CHEBI:16747 +name: 4-methylene-L-glutamine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:16749 +name: 1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:28874 ! phosphatidylinositol + +[Term] +id: CHEBI:16750 +name: guanosine +is_a: CHEBI:142355 ! purines D-ribonucleoside +is_a: CHEBI:24458 ! guanosines +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16751 +name: inulobiose +is_a: CHEBI:24407 ! glycosyl glycoside +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16752 +name: erythro-5-phosphonooxy-L-lysine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:16753 +name: pantetheine +is_a: CHEBI:25845 ! pantetheines +is_a: CHEBI:29256 ! thiol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16754 +name: 4-carboxymethyl-3-methylbut-2-en-1,4-olide +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid + +[Term] +id: CHEBI:16755 +name: chenodeoxycholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16758 +name: 3-dehydrocarnitinium +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16760 +name: phenanthrene-3,4-diol +is_a: CHEBI:37453 ! phenanthrenediol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16761 +name: ADP +is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16763 +name: 2-oxobutanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:58951 ! short-chain fatty acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16764 +name: 2'-deoxy-5-methyl-5'-cytidylic acid +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate + +[Term] +id: CHEBI:16765 +name: tryptamine +is_a: CHEBI:27162 ! tryptamines +is_a: CHEBI:38631 ! aminoalkylindole +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:64365 ! aralkylamino compound +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16766 +name: 4-carboxymethyl-4-methylbut-2-en-1,4-olide +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid + +[Term] +id: CHEBI:16767 +name: 3,4-dichloroaniline +is_a: CHEBI:23696 ! dichloroaniline +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:16768 +name: mycothiol +is_a: CHEBI:25441 ! mycothiols +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:63247 ! reducing agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16769 +name: 2-oxoglutaramate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16770 +name: N(5)-(L-1-carboxyethyl)-L-ornithine +is_a: CHEBI:21368 ! L-ornithine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:16771 +name: adenosine 5'-phosphoramidate +is_a: CHEBI:37773 ! organic phosphoramidate +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite + +[Term] +id: CHEBI:16772 +name: xylitol 5-phosphate +is_a: CHEBI:22295 ! alditol 5-phosphate +is_a: CHEBI:27341 ! xylitol phosphate + +[Term] +id: CHEBI:16773 +name: trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide +is_a: CHEBI:23140 ! chlorodienelactone +is_a: CHEBI:38122 ! 2-chloro-4-carboxymethylenebut-2-en-1,4-olide + +[Term] +id: CHEBI:16774 +name: (2-cis,6-trans)-farnesol +is_a: CHEBI:28600 ! farnesol + +[Term] +id: CHEBI:16775 +name: 3-aci-nitropropanoic acid +is_a: CHEBI:136622 ! aci-nitro compound + +[Term] +id: CHEBI:16776 +name: tabersonine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38481 ! alkaloid ester +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:16777 +name: berbamunine +is_a: CHEBI:133004 ! bisbenzylisoquinoline alkaloid +is_a: CHEBI:24923 ! isoquinolinol +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline + +[Term] +id: CHEBI:16778 +name: apigenin 7-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:38686 ! dihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug + +[Term] +id: CHEBI:16780 +name: N-(6-aminohexanoyl)-6-aminohexanoate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:16782 +name: (S)-2-hydroxyglutarate(2-) +is_a: CHEBI:11596 ! 2-hydroxyglutarate(2-) + +[Term] +id: CHEBI:16783 +name: 1D-myo-inositol 1,3,4,5-tetrakisphosphate +is_a: CHEBI:25449 ! myo-inositol tetrakisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16784 +name: 6beta-hydroxy-17beta-estradiol +is_a: CHEBI:36851 ! 6beta-hydroxy steroid + +[Term] +id: CHEBI:16785 +name: diisopropyl hydrogen phosphate +is_a: CHEBI:16648 ! dialkyl phosphate + +[Term] +id: CHEBI:16786 +name: vestitone +is_a: CHEBI:140183 ! (3R)-2'-hydroxyisoflavanones +is_a: CHEBI:72739 ! hydroxyisoflavanone +is_a: CHEBI:72740 ! methoxyisoflavanone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:16787 +name: 1-phospho-alpha-D-glucuronic acid +is_a: CHEBI:33886 ! glucuronic acids +is_a: CHEBI:35145 ! D-glucuronic acid 1-phosphate + +[Term] +id: CHEBI:16788 +name: CMP-N-acyl-beta-neuraminic acid +is_a: CHEBI:20878 ! CMP-sugar + +[Term] +id: CHEBI:16789 +name: aldehydo-D-lyxose +is_a: CHEBI:62318 ! D-lyxose + +[Term] +id: CHEBI:16790 +name: 15,16-dihydrobiliverdin +is_a: CHEBI:22869 ! bilins + +[Term] +id: CHEBI:16791 +name: vinorine +is_a: CHEBI:47622 ! acetate ester + +[Term] +id: CHEBI:16792 +name: oxidized Photinus luciferin +is_a: CHEBI:17165 ! Photinus luciferin +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:16793 +name: mercury(2+) +is_a: CHEBI:25197 ! mercury cation +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16794 +name: scopolamine +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36243 ! propanoate ester +is_a: CHEBI:37332 ! tropane alkaloid +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:48876 ! muscarinic antagonist +relationship: has_role CHEBI:50513 ! mydriatic agent +relationship: has_role CHEBI:50919 ! antiemetic +relationship: has_role CHEBI:53784 ! antispasmodic drug +relationship: has_role CHEBI:60807 ! anaesthesia adjuvant +relationship: has_role CHEBI:60809 ! adjuvant + +[Term] +id: CHEBI:16795 +name: L-threo-3-phenylserine +is_a: CHEBI:84144 ! L-phenylalanine derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16796 +name: melatonin +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:27162 ! tryptamines +relationship: has_role CHEBI:24621 ! hormone +relationship: has_role CHEBI:35488 ! central nervous system depressant +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:50847 ! immunological adjuvant +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16797 +name: 1-methylnicotinamide +is_a: CHEBI:50334 ! pyridinium ion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16799 +name: 16alpha-hydroxy steroid +is_a: CHEBI:36840 ! 16-hydroxy steroid + +[Term] +id: CHEBI:168 +name: (-)-dihydrocarvone +is_a: CHEBI:23733 ! dihydrocarvone + +[Term] +id: CHEBI:16802 +name: sedoheptulose +is_a: CHEBI:33949 ! ketoheptose + +[Term] +id: CHEBI:16803 +name: N-acetylanthranilate +is_a: CHEBI:61666 ! amidobenzoate + +[Term] +id: CHEBI:16804 +name: (RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline + +[Term] +id: CHEBI:16805 +name: [1-(5-phosphoribosyl)imidazol-4-yl]acetic acid +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35159 ! ribose monophosphate + +[Term] +id: CHEBI:16806 +name: xanthine-8-carboxylate +is_a: CHEBI:38668 ! purinecarboxylate + +[Term] +id: CHEBI:16807 +name: S(6)-acetyldihydrolipoamide +is_a: CHEBI:23750 ! S-substituted dihydrolipoamide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16808 +name: 2-dehydro-D-gluconate +is_a: CHEBI:24966 ! keto-D-gluconate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:16809 +name: D-glucose 6-sulfate +is_a: CHEBI:24589 ! monosaccharide sulfate + +[Term] +id: CHEBI:16810 +name: 2-oxoglutarate(2-) +is_a: CHEBI:36147 ! oxo dicarboxylate +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16811 +name: methionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16812 +name: (S,S)-butane-2,3-diol +is_a: CHEBI:62064 ! butane-2,3-diol + +[Term] +id: CHEBI:16813 +name: galactitol +is_a: CHEBI:24583 ! hexitol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16814 +name: dehydroepiandrosterone sulfate +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:19168 ! 17-oxo steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77194 ! EC 2.7.1.33 (pantothenate kinase) inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16815 +name: enol-phenylpyruvate +is_a: CHEBI:26008 ! phenylpyruvate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:16816 +name: flavonol 3-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:16817 +name: trans-4-hydroxycyclohexanecarboxylic acid +is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:16818 +name: all-trans-pentaprenyl diphosphate +is_a: CHEBI:53048 ! pentaprenyl diphosphate + +[Term] +id: CHEBI:16820 +name: N-benzoyl-D-arginine +is_a: CHEBI:21681 ! N-benzoyl-D-arginines +is_a: CHEBI:22702 ! benzamides + +[Term] +id: CHEBI:16821 +name: 4-oxo-L-proline +is_a: CHEBI:37011 ! 4-oxoproline +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84186 ! L-proline derivative + +[Term] +id: CHEBI:16822 +name: choline sulfate +is_a: CHEBI:23216 ! choline sulfates +is_a: CHEBI:35284 ! ammonium betaine + +[Term] +id: CHEBI:16823 +name: kanamycin A 3'-phosphate +is_a: CHEBI:36974 ! aminoglycoside phosphate + +[Term] +id: CHEBI:16824 +name: D-fuconic acid +is_a: CHEBI:24116 ! fuconic acid + +[Term] +id: CHEBI:16825 +name: (R)-2-methylimino-1-phenylpropan-1-ol +is_a: CHEBI:26279 ! propan-1-ols + +[Term] +id: CHEBI:16826 +name: acyl monophosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride + +[Term] +id: CHEBI:16827 +name: corticosterone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:24261 ! glucocorticoid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16828 +name: L-tryptophan +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:27897 ! tryptophan +is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16829 +name: polyneuridine aldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:38481 ! alkaloid ester + +[Term] +id: CHEBI:16830 +name: methylamine +is_a: CHEBI:17062 ! primary aliphatic amine +is_a: CHEBI:25274 ! methylamines +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16831 +name: 3-hydroxy-3-methylglutaric acid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35664 ! EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor +relationship: has_role CHEBI:35821 ! anticholesteremic drug +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16832 +name: kievitone +is_a: CHEBI:72739 ! hydroxyisoflavanone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:26115 ! phytoalexin +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:16833 +name: neurosporene +is_a: CHEBI:35162 ! acyclic carotene +relationship: has_part CHEBI:139114 ! carotenoid psi-end group + +[Term] +id: CHEBI:16834 +name: L-gamma-glutamyl-D-alanine +is_a: CHEBI:50621 ! gamma-glutamylalanine + +[Term] +id: CHEBI:16835 +name: 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid +is_a: CHEBI:25238 ! methoxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16836 +name: 4-nitrophenol +is_a: CHEBI:88306 ! 4-nitrophenols +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:16837 +name: alpha-ribazole 5'-phosphate +is_a: CHEBI:23809 ! dimethylbenzimidazole +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:47917 ! 1-ribosylbenzimidazole +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16838 +name: polyphosphate +is_a: CHEBI:33461 ! phosphorus oxoanion + +[Term] +id: CHEBI:168396 +name: mycophenolic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37581 ! gamma-lactone +is_a: CHEBI:38831 ! 2-benzofurans +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:53746 ! EC 1.1.1.205 (IMP dehydrogenase) inhibitor +relationship: has_role CHEBI:76964 ! Penicillium metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:16840 +name: 4-CDP-2-C-methyl-D-erythritol 2-phosphate +is_a: CHEBI:22294 ! alditol 4-phosphate +is_a: CHEBI:26980 ! tetritol phosphate +is_a: CHEBI:35240 ! nucleotide-alditol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16841 +name: bis(3-aminopropyl)amine +is_a: CHEBI:39474 ! polyazaalkane + +[Term] +id: CHEBI:16842 +name: formaldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:48219 ! disinfectant +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:16843 +name: cis-1,2-dihydro-3-ethylcatechol +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:16844 +name: N(3')-acetyl-2-deoxystreptamine antibiotic +is_a: CHEBI:22160 ! acetamides + +[Term] +id: CHEBI:16845 +name: (S)-2,3,4,5-tetrahydrodipicolinate(2-) +is_a: CHEBI:11408 ! 2,3,4,5-tetrahydrodipicolinate(2-) + +[Term] +id: CHEBI:16846 +name: UDP-alpha-D-galactosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:16848 +name: coenzyme gamma-F420-2 +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:59535 ! pyrimidoquinolines +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:16849 +name: D-fructuronate +is_a: CHEBI:24112 ! fructuronate + +[Term] +id: CHEBI:16850 +name: 1,2-dihydro-alpha-santonin +is_a: CHEBI:39270 ! naphthofuran + +[Term] +id: CHEBI:16851 +name: 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate +is_a: CHEBI:37328 ! phosphatidylinositol bisphosphate + +[Term] +id: CHEBI:16852 +name: L-dopaquinone +is_a: CHEBI:132123 ! 1,2-benzoquinones +is_a: CHEBI:84144 ! L-phenylalanine derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16853 +name: tetrathionic acid +is_a: CHEBI:33402 ! sulfur oxoacid + +[Term] +id: CHEBI:16854 +name: 3-fumarylpyruvate(2-) +is_a: CHEBI:47941 ! 4,6-dioxohept-2-enedioate + +[Term] +id: CHEBI:16855 +name: D-lysine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:25094 ! lysine +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16856 +name: glutathione +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:47923 ! tripeptide +is_a: CHEBI:83824 ! L-cysteine derivative +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:85046 ! skin lightening agent + +[Term] +id: CHEBI:16857 +name: L-threonine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:22658 ! aspartate family amino acid +is_a: CHEBI:26986 ! threonine +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16858 +name: pantetheine 4'-phosphate +is_a: CHEBI:26073 ! phosphopantetheine +is_a: CHEBI:29256 ! thiol + +[Term] +id: CHEBI:16859 +name: oxaloacetic acid 4-methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:16860 +name: 3',4',5,7-tetrahydroxy-3-methoxyflavone +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38684 ! tetrahydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:16861 +name: 7''-O-phosphohygromycin B +is_a: CHEBI:24753 ! hygromycin +is_a: CHEBI:36974 ! aminoglycoside phosphate +is_a: CHEBI:71989 ! ortho ester + +[Term] +id: CHEBI:16862 +name: nucleoside diphosphate +is_a: CHEBI:25608 ! nucleoside phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16863 +name: 6-phospho-D-gluconate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:16864 +name: D-ribofuranosyl-ADP +is_a: CHEBI:17193 ! ADP-aldose + +[Term] +id: CHEBI:16865 +name: gamma-aminobutyric acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33707 ! gamma-amino acid +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16866 +name: alizarin +is_a: CHEBI:37484 ! dihydroxyanthraquinone +relationship: has_role CHEBI:23240 ! chromophore +relationship: has_role CHEBI:37958 ! dye +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16867 +name: D-methionine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:16811 ! methionine + +[Term] +id: CHEBI:16869 +name: oleandomycin +is_a: CHEBI:25661 ! oleandomycins + +[Term] +id: CHEBI:16870 +name: choline alfoscerate +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates +is_a: CHEBI:36700 ! phosphocholines +relationship: has_role CHEBI:50370 ! parasympatholytic +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16871 +name: 4-pyridoxolactone +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38197 ! furopyridine + +[Term] +id: CHEBI:16872 +name: N-malonylanthranilate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:16874 +name: psychosine +is_a: CHEBI:36527 ! glycosylsphingoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16875 +name: 5,6-dihydroxyindole-2-carboxylate +is_a: CHEBI:23781 ! dihydroxyindole +is_a: CHEBI:38609 ! indolecarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16877 +name: oxidized Watasenia luciferin +is_a: CHEBI:37919 ! aryl sulfate +is_a: CHEBI:38314 ! pyrazines +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:16878 +name: N-acetyl-L-gamma-glutamyl phosphate +is_a: CHEBI:83982 ! L-glutamic acid derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16879 +name: diethyl 2-methyl-3-oxosuccinate +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:51307 ! diester +is_a: CHEBI:51848 ! alpha-ketoester +is_a: CHEBI:51849 ! beta-ketoester + +[Term] +id: CHEBI:16880 +name: L-ribulose +is_a: CHEBI:28721 ! ribulose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16881 +name: 1H-indole +is_a: CHEBI:35581 ! indole +is_a: CHEBI:38180 ! polycyclic heteroarene +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16885 +name: 1-kestose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:16886 +name: 2-aminomuconic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16887 +name: 5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene +is_a: CHEBI:19281 ! 2,2'-bithiophenes +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:16889 +name: trans-3-hydroxy-L-proline +is_a: CHEBI:20056 ! 3-hydroxy-L-proline +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16890 +name: glycerol monophosphate +is_a: CHEBI:26707 ! glycerol phosphate + +[Term] +id: CHEBI:16891 +name: glyoxylic acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16892 +name: 4-amino-5-hydroxymethyl-2-methylpyrimidine +is_a: CHEBI:33857 ! aromatic primary alcohol +is_a: CHEBI:38338 ! aminopyrimidine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16893 +name: sphinganine 1-phosphate +is_a: CHEBI:77068 ! sphingoid 1-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16894 +name: 3-sulfopyruvic acid +is_a: CHEBI:38031 ! carboxyalkanesulfonic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16895 +name: S-methyl-5-thio-D-ribose +is_a: CHEBI:26976 ! thioribose +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16897 +name: D-erythrose 4-phosphate(2-) +is_a: CHEBI:23956 ! erythrose phosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16899 +name: D-mannitol +is_a: CHEBI:29864 ! mannitol +relationship: has_role CHEBI:23366 ! compatible osmolytes +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:39456 ! antiglaucoma drug +relationship: has_role CHEBI:50504 ! osmotic diuretic +relationship: has_role CHEBI:50505 ! sweetening agent +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:59174 ! hapten +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77965 ! food anticaking agent +relationship: has_role CHEBI:77966 ! food stabiliser +relationship: has_role CHEBI:77969 ! food humectant +relationship: has_role CHEBI:77970 ! food thickening agent +relationship: has_role CHEBI:78004 ! food bulking agent + +[Term] +id: CHEBI:16900 +name: chlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:16901 +name: alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-galactosaminyl group +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:16903 +name: 1-O-(alk-1-enyl)-2-O-acylglycerol +is_a: CHEBI:76583 ! alk-1-enylacylglycerol + +[Term] +id: CHEBI:16904 +name: fluoren-9-ol +is_a: CHEBI:24699 ! hydroxyfluorenes +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:16905 +name: keto-D-fructose 1,6-bisphosphate +is_a: CHEBI:78682 ! D-fructose 1,6-bisphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16907 +name: 4-nitroquinoline N-oxide +is_a: CHEBI:26508 ! quinoline N-oxide +is_a: CHEBI:35716 ! C-nitro compound +relationship: has_role CHEBI:50903 ! carcinogenic agent + +[Term] +id: CHEBI:16908 +name: NADH +is_a: CHEBI:13389 ! NAD +is_a: CHEBI:13392 ! NAD(P)H +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16910 +name: mandelonitrile +is_a: CHEBI:23437 ! cyanohydrin + +[Term] +id: CHEBI:16912 +name: trans-1,2-dithiane-4,5-diol +is_a: CHEBI:35489 ! organic disulfide +is_a: CHEBI:51652 ! dithianes +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16913 +name: N-methylphenylethanolamine +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:25990 ! phenylethanolamines +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16914 +name: salicylic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:50176 ! keratolytic drug +relationship: has_role CHEBI:73181 ! EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16916 +name: oligosaccharide phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:16918 +name: gallate +is_a: CHEBI:36085 ! trihydroxybenzoate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:16919 +name: creatine +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:24436 ! guanidines +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16923 +name: N-formyl-L-aspartate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:16924 +name: 5-oxo-D-proline +is_a: CHEBI:16010 ! 5-oxoproline +is_a: CHEBI:84185 ! D-proline derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:16925 +name: 6-phospho-5-dehydro-2-deoxy-D-gluconic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate + +[Term] +id: CHEBI:16927 +name: L-saccharopine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83229 ! amino acid opine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16929 +name: sn-glycero-3-phosphoethanolamine +is_a: CHEBI:52330 ! glycerophosphatidylethanolamine + +[Term] +id: CHEBI:16931 +name: trans-cyclohexane-1,2-diol +is_a: CHEBI:24567 ! cyclohexane-1,2-diol +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:16932 +name: UDP-N-acetylmuramoyl-L-alanine +is_a: CHEBI:35258 ! glyco-amino acid + +[Term] +id: CHEBI:16933 +name: ergosterol +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50403 ! ergostanoid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:16934 +name: 3-cyano-L-alanine +is_a: CHEBI:60974 ! cyanoamino acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16935 +name: L-rhamnofuranose +is_a: CHEBI:62345 ! L-rhamnose + +[Term] +id: CHEBI:16937 +name: 5,6-dihydroxy-3-methylquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:26507 ! dihydroxyquinoline + +[Term] +id: CHEBI:16938 +name: 6-O-phosphono-D-glucono-1,5-lactone +is_a: CHEBI:37429 ! aldonolactone phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16939 +name: 3-amino-3-(4-hydroxyphenyl)propanoic acid +is_a: CHEBI:33706 ! beta-amino acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:16941 +name: cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene +is_a: CHEBI:23684 ! dibenzothiophenes + +[Term] +id: CHEBI:16942 +name: lipid X +is_a: CHEBI:21635 ! N-acyl-D-glucosamine 1-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16943 +name: (R)-2,4-dihydroxy-3-oxobutanoic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:16944 +name: L-2-amino-3-oxobutanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:16945 +name: scytalone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:55380 ! beta-hydroxy ketone +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:16946 +name: L-kynurenine +is_a: CHEBI:28683 ! kynurenine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16947 +name: citrate(3-) +is_a: CHEBI:133748 ! citrate anion +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16950 +name: 2-dehydro-3-deoxy-L-fuconic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:16952 +name: 5-hydroxymethyldeoxycytidylic acid +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate + +[Term] +id: CHEBI:16953 +name: N-acetyl-L-aspartate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:16954 +name: vitexin +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:27116 ! trihydroxyflavone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16955 +name: GDP-4-dehydro-6-deoxy-alpha-D-mannose +is_a: CHEBI:21169 ! GDP-sugar +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16957 +name: deacetoxyvindoline +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:27288 ! vinca alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:16958 +name: beta-alanine +is_a: CHEBI:33706 ! beta-amino acid +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:35222 ! inhibitor +relationship: has_role CHEBI:48705 ! agonist +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16959 +name: albendazole S-oxide +is_a: CHEBI:22063 ! sulfoxide + +[Term] +id: CHEBI:16960 +name: ADP-D-ribose +is_a: CHEBI:35239 ! ADP-sugar +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16961 +name: monoacylglycerol phosphate +is_a: CHEBI:26707 ! glycerol phosphate +is_a: CHEBI:37739 ! glycerophospholipid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16962 +name: cortisone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:24261 ! glucocorticoid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16964 +name: 5-hydroxymethyluracil +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:38337 ! pyrimidone +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16965 +name: 2,3-dihydrogossypetin +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:38744 ! hexahydroxyflavanone +is_a: CHEBI:48024 ! 3'-hydroxyflavanones +is_a: CHEBI:48039 ! dihydroflavonols + +[Term] +id: CHEBI:16966 +name: heteroglycan +is_a: CHEBI:18154 ! polysaccharide + +[Term] +id: CHEBI:16967 +name: (Z)-5-oxohex-2-enedioate +is_a: CHEBI:36147 ! oxo dicarboxylate + +[Term] +id: CHEBI:16968 +name: 1,8-diazacyclotetradecane-2,9-dione +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:16970 +name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamic acid +is_a: CHEBI:35257 ! UDP-glycopeptide + +[Term] +id: CHEBI:16971 +name: benzene-1,2,4-triol +is_a: CHEBI:22707 ! benzenetriol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16973 +name: 11-deoxycorticosterone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:25354 ! mineralocorticoid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16974 +name: imidazol-4-ylacetic acid +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16975 +name: 1-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:17088 ! monoacyl-sn-glycerol 3-phosphate +is_a: CHEBI:76629 ! 2-lysophosphatidic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16976 +name: hygromycin B +is_a: CHEBI:24753 ! hygromycin +is_a: CHEBI:71989 ! ortho ester +relationship: has_role CHEBI:35443 ! anthelminthic drug + +[Term] +id: CHEBI:16977 +name: L-alanine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:16449 ! alanine +is_a: CHEBI:26463 ! pyruvate family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16978 +name: leukotriene C4 +is_a: CHEBI:25029 ! leukotriene +relationship: has_role CHEBI:50141 ! bronchoconstrictor agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16980 +name: geranial +is_a: CHEBI:137934 ! polyprenal +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:16981 +name: O-(3-O-D-galactosyl-N-acetyl-beta-D-galactosaminyl)-L-serine +is_a: CHEBI:21957 ! O-glycosyl-L-serine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:16982 +name: (R,R)-butane-2,3-diol +is_a: CHEBI:62064 ! butane-2,3-diol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:16984 +name: N-acetylimidazole +is_a: CHEBI:38308 ! N-acylimidazole + +[Term] +id: CHEBI:16985 +name: 5beta-androstane-3,17-dione +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:22542 ! androstane-3,17-dione +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:16987 +name: 1-piperideine-6-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16988 +name: D-ribose +is_a: CHEBI:33942 ! ribose +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:16989 +name: 2-(carboxymethyl)-5-oxo-2,5-dihydro-3-furoic acid +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid +is_a: CHEBI:36055 ! furoic acid + +[Term] +id: CHEBI:16990 +name: bilirubin IXalpha +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:36735 ! biladienes +relationship: has_part CHEBI:142163 ! 24G7 epitope +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16991 +name: deoxyribonucleic acid +is_a: CHEBI:33696 ! nucleic acid +relationship: has_part CHEBI:33793 ! canonical deoxyribonucleoside residue +relationship: has_part CHEBI:50298 ! canonical deoxyribonucleotide residue +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:16992 +name: 2-hydroxy-3-oxopropanoic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16993 +name: 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid +is_a: CHEBI:36055 ! furoic acid + +[Term] +id: CHEBI:16994 +name: 1-(beta-D-galactosyl)-2-(2-hydroxyacyl)sphingosine +is_a: CHEBI:18390 ! N-acyl-beta-D-galactosylsphingosine + +[Term] +id: CHEBI:16995 +name: oxalic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:16996 +name: L-histidinol phosphate +is_a: CHEBI:36711 ! phosphoethanolamine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:16997 +name: propane-1,2-diol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:26284 ! propane-1,2-diols +relationship: has_role CHEBI:48356 ! protic solvent +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:16998 +name: D-phenylalanine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:28044 ! phenylalanine + +[Term] +id: CHEBI:16999 +name: 1-acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:16110 ! 1,2-diacyl-sn-glycero-3-phosphocholine(1+) + +[Term] +id: CHEBI:17000 +name: tropate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17001 +name: 7,8-dihydroneopterin +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:38797 ! dihydropterin +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17002 +name: cholesteryl ester +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:17006 +name: beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:23075 ! glycotetraosylceramide +is_a: CHEBI:90376 ! beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17007 +name: 1-(3,4-dimethoxyphenyl)ethane-1,2-diol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23976 ! ethanediol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:17008 +name: N(2)-acyl-L-glutamine +is_a: CHEBI:21644 ! N-acyl-L-amino acid +is_a: CHEBI:83985 ! N(2)-acylglutamine + +[Term] +id: CHEBI:17009 +name: GDP-L-fucose +is_a: CHEBI:64608 ! GDP-fucose + +[Term] +id: CHEBI:17010 +name: S-inosyl-L-homocysteine +is_a: CHEBI:24610 ! homocysteines + +[Term] +id: CHEBI:17011 +name: 5-dehydro-D-fructose +is_a: CHEBI:18133 ! hexose + +[Term] +id: CHEBI:17012 +name: N-acetylneuraminic acid +is_a: CHEBI:21622 ! N-acetylneuraminic acids +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:52425 ! EC 3.2.1.18 (exo-alpha-sialidase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17013 +name: dTMP +is_a: CHEBI:15245 ! thymidine 5'-monophosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17015 +name: riboflavin +is_a: CHEBI:30527 ! flavin +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:75769 ! B vitamin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77182 ! food colouring + +[Term] +id: CHEBI:17016 +name: L-methionine S-oxide +is_a: CHEBI:49033 ! methionine S-oxide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17019 +name: (R)-amygdalin +is_a: CHEBI:27613 ! amygdalin +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17020 +name: glucomannan +is_a: CHEBI:61298 ! D-glucose- and/or D-galactose-substituted mannan +relationship: has_role CHEBI:50733 ! nutraceutical + +[Term] +id: CHEBI:17021 +name: S-substitued glutathione +is_a: CHEBI:24337 ! glutathione derivative + +[Term] +id: CHEBI:17023 +name: 2-hydroxyadipic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:17025 +name: (S)-dihydroorotic acid +is_a: CHEBI:30865 ! dihydroorotic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17026 +name: progesterone +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:64600 ! C21-steroid hormone +relationship: has_role CHEBI:49323 ! contraceptive drug +relationship: has_role CHEBI:59826 ! progestin +relationship: has_role CHEBI:70709 ! progesterone receptor agonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17027 +name: allysine +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:17028 +name: 2-dehydro-3-deoxy-D-galactonic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17029 +name: chitin +is_a: CHEBI:21638 ! N-acylglucosamine +is_a: CHEBI:22506 ! aminoglycan +relationship: has_role CHEBI:73336 ! vulnerary +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17030 +name: cycloartenol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:35348 ! 3beta-sterol + +[Term] +id: CHEBI:17031 +name: chelirubine +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:38517 ! benzophenanthridine alkaloid + +[Term] +id: CHEBI:17032 +name: 2-dehydro-3-deoxy-D-gluconic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17033 +name: biliverdin +is_a: CHEBI:22869 ! bilins +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17034 +name: octadecanal +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde + +[Term] +id: CHEBI:17036 +name: dibenzo[1,4]dioxine-2,3-dione +is_a: CHEBI:23825 ! dibenzodioxine +is_a: CHEBI:25622 ! orthoquinones + +[Term] +id: CHEBI:17037 +name: geissoschizine +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:17038 +name: fecosterol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17039 +name: D-glucurono-6,2-lactone +is_a: CHEBI:24301 ! glucuronolactone + +[Term] +id: CHEBI:17040 +name: (carboxymethoxy)succinic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:17041 +name: (S)-N-methylcoclaurine +is_a: CHEBI:38818 ! N-methylcoclaurine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17042 +name: tetrachlorohydroquinone +is_a: CHEBI:23147 ! chlorohydroquinones +is_a: CHEBI:26888 ! tetrachlorobenzene + +[Term] +id: CHEBI:17043 +name: biphenyl-2-ol +is_a: CHEBI:24681 ! hydroxybiphenyls +relationship: has_role CHEBI:78299 ! environmental food contaminant +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:17044 +name: D-glucitol 6-phosphate +is_a: CHEBI:26725 ! glucitol phosphate +is_a: CHEBI:35375 ! alditol 6-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17045 +name: dinitrogen oxide +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:35196 ! nitrogen oxide +relationship: has_role CHEBI:35480 ! analgesic +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:38869 ! general anaesthetic +relationship: has_role CHEBI:38870 ! inhalation anaesthetic +relationship: has_role CHEBI:60643 ! NMDA receptor antagonist +relationship: has_role CHEBI:76413 ! greenhouse gas +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77971 ! raising agent +relationship: has_role CHEBI:77974 ! food packaging gas +relationship: has_role CHEBI:78017 ! food propellant +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:17047 +name: all-trans-undecaprenyl diphosphate +is_a: CHEBI:27193 ! undecaprenyl phosphate +is_a: CHEBI:53042 ! undecaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate + +[Term] +id: CHEBI:17048 +name: nororientaline +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:24922 ! isoquinolines +is_a: CHEBI:24923 ! isoquinolinol + +[Term] +id: CHEBI:17049 +name: 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:24275 ! glucosaminylphosphatidylinositol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17050 +name: 3-phosphoglyceric acid +is_a: CHEBI:25405 ! monophosphoglyceric acid +is_a: CHEBI:63455 ! tetronic acid derivative +relationship: has_role CHEBI:78675 ! fundamental metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17051 +name: fluoride +is_a: CHEBI:16042 ! halide anion +is_a: CHEBI:36895 ! monoatomic fluorine + +[Term] +id: CHEBI:17052 +name: 3-phosphoshikimic acid +is_a: CHEBI:37412 ! phosphoshikimic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17053 +name: L-aspartic acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:22658 ! aspartate family amino acid +is_a: CHEBI:22660 ! aspartic acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17056 +name: 1-carboxyvinyl carboxyphosphonate +is_a: CHEBI:37592 ! organic phosphonate +is_a: CHEBI:37735 ! phosphonic ester + +[Term] +id: CHEBI:17057 +name: cellobiose +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17058 +name: 3-dehydroecdysone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:47788 ! 3-oxo steroid + +[Term] +id: CHEBI:17059 +name: 2-methylcholine +is_a: CHEBI:23217 ! cholines + +[Term] +id: CHEBI:17061 +name: D-glutamine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:28300 ! glutamine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17062 +name: primary aliphatic amine +is_a: CHEBI:32877 ! primary amine + +[Term] +id: CHEBI:17063 +name: L-erythrulose 1-phosphate +is_a: CHEBI:14216 ! erythrulose 1-phosphate + +[Term] +id: CHEBI:17064 +name: 4-nitroaniline +is_a: CHEBI:25550 ! nitroaniline +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:17065 +name: 3',5'-cyclic CMP +is_a: CHEBI:19835 ! 3',5'-cyclic pyrimidine nucleotide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17066 +name: (R)-3-hydroxybutyric acid +is_a: CHEBI:20067 ! 3-hydroxybutyric acid +is_a: CHEBI:73693 ! ketone body +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17068 +name: 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA +is_a: CHEBI:20081 ! 3-hydroxypropionyl-CoA + +[Term] +id: CHEBI:17069 +name: 3-hydroxybenzyl alcohol +is_a: CHEBI:24679 ! hydroxybenzyl alcohol +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17071 +name: glycolaldehyde +is_a: CHEBI:24387 ! glycolaldehydes +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17072 +name: N-amidino-L-aspartic acid +is_a: CHEBI:83978 ! L-aspartic acid derivative +is_a: CHEBI:90143 ! N-amidinoaspartic acid + +[Term] +id: CHEBI:17073 +name: Cypridina luciferin +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:37847 ! imidazopyrazine +relationship: has_role CHEBI:25078 ! luciferin + +[Term] +id: CHEBI:17074 +name: cycasin +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:17075 +name: 6-hydroxyhexano-6-lactone +is_a: CHEBI:25000 ! lactone + +[Term] +id: CHEBI:17076 +name: streptomycin +is_a: CHEBI:26788 ! streptomycins +is_a: CHEBI:87113 ! antibiotic antifungal drug +is_a: CHEBI:87114 ! antibiotic fungicide +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:36043 ! antimicrobial drug +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:17077 +name: 2-carboxy-D-arabinitol +is_a: CHEBI:33843 ! arabinonic acid derivative + +[Term] +id: CHEBI:17078 +name: L-gamma-glutamyl-L-cysteinyl-beta-alanine +is_a: CHEBI:24195 ! gamma-glutamylcysteine + +[Term] +id: CHEBI:17079 +name: (S)-3'-hydroxy-N-methylcoclaurine +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:24922 ! isoquinolines +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17081 +name: dimethylmaleate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:17082 +name: L-2-aminoadipate(2-) +is_a: CHEBI:36147 ! oxo dicarboxylate + +[Term] +id: CHEBI:17083 +name: 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol +is_a: CHEBI:38797 ! dihydropterin +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17084 +name: 2-hydroxyglutaric acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17087 +name: ketone +is_a: CHEBI:36586 ! carbonyl compound + +[Term] +id: CHEBI:17088 +name: monoacyl-sn-glycerol 3-phosphate +is_a: CHEBI:16961 ! monoacylglycerol phosphate +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates + +[Term] +id: CHEBI:17089 +name: glycoprotein +is_a: CHEBI:33837 ! conjugated protein +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:17090 +name: (1R,2R,3R)-prephytoene diphosphate +is_a: CHEBI:14885 ! prephytoene diphosphate + +[Term] +id: CHEBI:17092 +name: 3-chloro-D-alanine +is_a: CHEBI:83944 ! D-alanine derivative +is_a: CHEBI:88164 ! 3-chloroalanine +relationship: has_role CHEBI:59647 ! EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor + +[Term] +id: CHEBI:17094 +name: 2-dehydropantoic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:17095 +name: cis-1,6-dihydroxy-4-methylcyclohexa-2,4-dienecarboxylic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid + +[Term] +id: CHEBI:17096 +name: strictosidine aglycone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38481 ! alkaloid ester +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:17097 +name: biphenyl +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:22888 ! biphenyls +is_a: CHEBI:87034 ! aromatic fungicide +relationship: has_role CHEBI:65256 ! antimicrobial food preservative +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:17098 +name: veratraldehyde +is_a: CHEBI:22698 ! benzaldehydes +is_a: CHEBI:51681 ! dimethoxybenzene +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:17099 +name: aspulvinone H +is_a: CHEBI:22669 ! aspulvinone + +[Term] +id: CHEBI:17100 +name: L-arabinono-1,4-lactone +is_a: CHEBI:37422 ! arabinono-1,4-lactone + +[Term] +id: CHEBI:17101 +name: macarpine +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:38517 ! benzophenanthridine alkaloid + +[Term] +id: CHEBI:17102 +name: phosphoramide +is_a: CHEBI:33256 ! primary amide + +[Term] +id: CHEBI:17103 +name: N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:36508 ! glycotriaosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17104 +name: 6-hydroxyprotopine +is_a: CHEBI:38608 ! dibenzazecine alkaloid +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:17105 +name: 4-maleylacetoacetate +is_a: CHEBI:36147 ! oxo dicarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17106 +name: 1-alkyl-sn-glycerol 3-phosphate +is_a: CHEBI:22329 ! alkyl-sn-glycerol 3-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17108 +name: D-arabinose +is_a: CHEBI:22599 ! arabinose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17109 +name: 7,8-dihydro-7,8-dihydroxykynurenic acid +is_a: CHEBI:26512 ! quinolinemonocarboxylic acid + +[Term] +id: CHEBI:17110 +name: 1-guanidino-1-deoxy-scyllo-inositol +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:17111 +name: 5-O-phosphono-alpha-D-ribofuranosyl diphosphate +is_a: CHEBI:48956 ! 5-O-phosphono-D-ribofuranosyl diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17113 +name: erythritol +is_a: CHEBI:48299 ! butane-1,2,3,4-tetrol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17114 +name: N(5)-formyl-5,6,7,8-tetrahydromethanopterin +is_a: CHEBI:26914 ! tetrahydromethanopterin + +[Term] +id: CHEBI:17115 +name: L-serine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:17822 ! serine +is_a: CHEBI:26650 ! serine family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17117 +name: 5-dehydro-4-deoxy-D-glucuronate +is_a: CHEBI:33903 ! glucuronates + +[Term] +id: CHEBI:17118 +name: aldehydo-D-galactose +is_a: CHEBI:12936 ! D-galactose +is_a: CHEBI:37662 ! aldehydo-galactose + +[Term] +id: CHEBI:17120 +name: hexanoate +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78116 ! fatty acid anion 6:0 +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17121 +name: oxomalonate(2-) +is_a: CHEBI:36147 ! oxo dicarboxylate + +[Term] +id: CHEBI:17122 +name: aldehydo-N-acetyl-D-mannosamine +is_a: CHEBI:62164 ! N-acetylmannosamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17123 +name: 2-aminoacrylic acid +is_a: CHEBI:23591 ! dehydroamino acid +is_a: CHEBI:47989 ! enamine +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17125 +name: 6-acetamido-3-aminohexanoate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:17126 +name: carnitine +is_a: CHEBI:22860 ! amino-acid betaine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17127 +name: glucotropeolin +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:79342 ! aralkylglucosinolic acid + +[Term] +id: CHEBI:17128 +name: adipate(2-) +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17129 +name: (S)-scoulerine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:38163 ! organic heterotetracyclic compound +relationship: has_role CHEBI:50276 ! EC 5.99.1.2 (DNA topoisomerase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17130 +name: 10-oxocapric acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:76328 ! omega-oxo fatty acid + +[Term] +id: CHEBI:17131 +name: (3,5-diiodo-4-hydroxyphenyl)pyruvic acid +is_a: CHEBI:37142 ! organoiodine compound + +[Term] +id: CHEBI:17132 +name: diethyl (2R,3R)-2-hydroxy-3-methylsuccinate +is_a: CHEBI:23711 ! diethyl 2-methyl-3-hydroxysuccinate + +[Term] +id: CHEBI:17133 +name: deoxylimonoic acid +is_a: CHEBI:24129 ! furans +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:39434 ! limonoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17134 +name: octopamine +is_a: CHEBI:25990 ! phenylethanolamines +is_a: CHEBI:27175 ! tyramines +relationship: has_role CHEBI:25512 ! neurotransmitter + +[Term] +id: CHEBI:17135 +name: long-chain fatty alcohol +is_a: CHEBI:24026 ! fatty alcohol + +[Term] +id: CHEBI:17136 +name: 2,8-dihydroxy-1,4-naphthoquinone +is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone + +[Term] +id: CHEBI:17137 +name: hydrogensulfite +is_a: CHEBI:33482 ! sulfur oxoanion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17138 +name: glyceraldehyde 3-phosphate +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:35142 ! aldotriose phosphate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17139 +name: 6-O-sulfo-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->3)-1-O-alkyl-2-O-acylglycerol +is_a: CHEBI:37909 ! oligosaccharide sulfate + +[Term] +id: CHEBI:17140 +name: D-xylulose +is_a: CHEBI:27353 ! xylulose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17141 +name: cysteamine +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:32952 ! amine +relationship: has_role CHEBI:66987 ! radiation protective agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17142 +name: 5-formyl-2-hydroxyhepta-2,4-dienedioic acid +is_a: CHEBI:38436 ! muconic semialdehyde + +[Term] +id: CHEBI:17143 +name: 5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:26507 ! dihydroxyquinoline + +[Term] +id: CHEBI:17144 +name: 2-(3-amino-3-carboxypropyl)-L-histidine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17146 +name: anhydrotetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines + +[Term] +id: CHEBI:17147 +name: 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2H)-one +is_a: CHEBI:26414 ! pyridazinone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:17148 +name: putrescine +is_a: CHEBI:35411 ! alkane-alpha,omega-diamine +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17149 +name: N-acetyl-beta-D-glycosaminyl glycopeptide +is_a: CHEBI:24396 ! glycopeptide + +[Term] +id: CHEBI:17150 +name: 2-phosphoglycolic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17151 +name: xylitol +is_a: CHEBI:25899 ! pentitol +relationship: has_role CHEBI:50505 ! sweetening agent +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:59174 ! hapten +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17152 +name: phosphatidyl-N,N-dimethylethanolamine +is_a: CHEBI:16038 ! phosphatidylethanolamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17153 +name: propanal +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17154 +name: nicotinamide +is_a: CHEBI:25529 ! pyridinecarboxamide +is_a: CHEBI:26416 ! pyridine alkaloid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor +relationship: has_role CHEBI:62913 ! EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:71181 ! Sir2 inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17155 +name: flavonol 3-O-(6-O-malonyl-beta-D-glucoside) +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:17156 +name: 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:17157 +name: trans,trans-2,3,4,5-tetradehydroacyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:17158 +name: methylglyoxal +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:27659 ! 2-oxo aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17159 +name: (R)-carnitinamide +is_a: CHEBI:22475 ! amino acid amide +is_a: CHEBI:48604 ! carnitinamide + +[Term] +id: CHEBI:17160 +name: 17alpha-estradiol +is_a: CHEBI:23965 ! estradiol +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:17161 +name: O-demethylpuromycin +is_a: CHEBI:26404 ! puromycins + +[Term] +id: CHEBI:17162 +name: 2-oxooctadecanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:17163 +name: S-methyl D-thioglycerate +is_a: CHEBI:37696 ! carbohydrate acid ester +is_a: CHEBI:51277 ! thioester + +[Term] +id: CHEBI:17164 +name: stachyose +is_a: CHEBI:50126 ! tetrasaccharide +is_a: CHEBI:74961 ! raffinose family oligosaccharide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17165 +name: Photinus luciferin +is_a: CHEBI:37947 ! benzothiazoles +is_a: CHEBI:48652 ! 1,3-thiazolemonocarboxylic acid +is_a: CHEBI:83991 ! imidothioate +relationship: has_role CHEBI:25078 ! luciferin + +[Term] +id: CHEBI:17166 +name: N-methylputrescine +is_a: CHEBI:26406 ! N-substituted putrescine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17167 +name: (R)-lactaldehyde +is_a: CHEBI:18419 ! lactaldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17168 +name: 5alpha-cholest-7-en-3beta-ol +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:138130 ! Delta(7)-sterol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17169 +name: benzaldehyde +is_a: CHEBI:22698 ! benzaldehydes +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:62873 ! odorant receptor agonist +relationship: has_role CHEBI:65001 ! EC 3.1.1.3 (triacylglycerol lipase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77118 ! EC 3.5.5.1 (nitrilase) inhhibitor + +[Term] +id: CHEBI:17170 +name: dimethylamine +is_a: CHEBI:25274 ! methylamines +is_a: CHEBI:50981 ! secondary aliphatic amine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17172 +name: 2'-deoxyguanosine +is_a: CHEBI:142361 ! purines 2'-deoxy-D-ribonucleoside +is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17173 +name: D-ribulose +is_a: CHEBI:28721 ! ribulose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17174 +name: heparosan N-sulfate L-iduronic acid +is_a: CHEBI:33897 ! iduronic acids +is_a: CHEBI:35721 ! heparan sulfates +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17175 +name: guanidinoethyl methyl phosphate +is_a: CHEBI:24442 ! guanidinoethyl methyl phosphates + +[Term] +id: CHEBI:17176 +name: long-chain fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde + +[Term] +id: CHEBI:17177 +name: cinnamyl alcohol +is_a: CHEBI:15734 ! primary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17179 +name: taurolithocholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17180 +name: 3-hydroxypyruvate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17181 +name: 5-(4-acetoxybut-1-ynyl)-2,2'-bithiophene +is_a: CHEBI:19281 ! 2,2'-bithiophenes + +[Term] +id: CHEBI:17183 +name: sanguinarine +is_a: CHEBI:38517 ! benzophenanthridine alkaloid +is_a: CHEBI:86322 ! alkaloid antibiotic +is_a: CHEBI:86494 ! botanical anti-fungal agent + +[Term] +id: CHEBI:17184 +name: chlordecone alcohol +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:17185 +name: 2,3,5-trihydroxytoluene +is_a: CHEBI:27119 ! trihydroxytoluene + +[Term] +id: CHEBI:17187 +name: pinene +is_a: CHEBI:35187 ! monoterpene + +[Term] +id: CHEBI:17188 +name: nucleoside 5'-monophosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:17189 +name: 2,5-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +relationship: has_role CHEBI:64345 ! MALDI matrix material +relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17191 +name: L-isoleucine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:22658 ! aspartate family amino acid +is_a: CHEBI:24898 ! isoleucine +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17192 +name: 3,5-dibromo-4-hydroxybenzonitrile +is_a: CHEBI:24730 ! hydroxynitrile +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37147 ! dibromobenzene +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:17193 +name: ADP-aldose +is_a: CHEBI:35239 ! ADP-sugar + +[Term] +id: CHEBI:17194 +name: bromochloromethane +is_a: CHEBI:39279 ! halomethane + +[Term] +id: CHEBI:17195 +name: thiomorpholine-3-carboxylic acid +is_a: CHEBI:36223 ! thiomorpholinemonocarboxylic acid + +[Term] +id: CHEBI:17196 +name: L-asparagine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:22653 ! asparagine +is_a: CHEBI:22658 ! aspartate family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17197 +name: 1-alkylglycerone 3-phosphate +is_a: CHEBI:22335 ! alkylglycerone phosphate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17198 +name: dolichyl N-acetyl-alpha-D-glucosaminyl phosphate +is_a: CHEBI:24274 ! glucosaminylphosphodolichol + +[Term] +id: CHEBI:17199 +name: 4,5-dihydroxyphthalic acid +is_a: CHEBI:26094 ! benzenedicarboxylic acid + +[Term] +id: CHEBI:17200 +name: UDP-alpha-D-glucuronic acid +is_a: CHEBI:17297 ! UDP-sugar +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17201 +name: glycylglycine +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17202 +name: IMP +is_a: CHEBI:24843 ! inosine phosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17203 +name: L-proline +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:24318 ! glutamine family amino acid +is_a: CHEBI:26271 ! proline +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:23366 ! compatible osmolytes +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17204 +name: 4,5-dioxopentanoic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid + +[Term] +id: CHEBI:17206 +name: 9,11alpha-epoxypregn-4-ene-3,20-dione +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:17207 +name: 2-methylideneglutaric acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:17209 +name: dihydrosanguinarine +is_a: CHEBI:38517 ! benzophenanthridine alkaloid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:17210 +name: (S)-4-hydroxymandelate +is_a: CHEBI:32804 ! 4-hydroxymandelate + +[Term] +id: CHEBI:17211 +name: geranyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17212 +name: 1,2-dihydroxydibenzothiophene +is_a: CHEBI:23684 ! dibenzothiophenes + +[Term] +id: CHEBI:17213 +name: D-lysopine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83229 ! amino acid opine + +[Term] +id: CHEBI:17214 +name: (2S)-2-isopropyl-3-oxosuccinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17215 +name: methyl L-tyrosinate +is_a: CHEBI:21415 ! L-tyrosyl ester +is_a: CHEBI:25248 ! methyl ester + +[Term] +id: CHEBI:17216 +name: oxidized Cypridina luciferin +is_a: CHEBI:17073 ! Cypridina luciferin +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:38314 ! pyrazines +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:17217 +name: 2-butenoic acid +is_a: CHEBI:22959 ! butenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:17219 +name: limonene-1,2-diol +is_a: CHEBI:25040 ! limonene monoterpenoid + +[Term] +id: CHEBI:1722 +name: 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:17221 +name: beta-myrcene +is_a: CHEBI:35187 ! monoterpene +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:36413 ! anabolic agent +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17223 +name: polyprenyl glucosyl phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:17224 +name: 4-methylumbelliferone +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:131561 ! hyaluronic acid synthesis inhibitor +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:17225 +name: salutaridine +is_a: CHEBI:25418 ! morphinane alkaloid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:64951 ! anti-HBV agent + +[Term] +id: CHEBI:17226 +name: rosmarinic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33308 ! carboxylic ester +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug +relationship: has_role CHEBI:48353 ! serine proteinase inhibitor +relationship: has_role CHEBI:48550 ! EC 1.1.1.21 (aldehyde reductase) inhibitor +relationship: has_role CHEBI:49110 ! peripheral nervous system drug +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17228 +name: taurocyamine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:33551 ! organosulfonic acid + +[Term] +id: CHEBI:17229 +name: 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene +is_a: CHEBI:19281 ! 2,2'-bithiophenes +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:17230 +name: homocysteine +is_a: CHEBI:24610 ! homocysteines +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17231 +name: m-cresol +is_a: CHEBI:25399 ! cresol +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17232 +name: L-glutamic 5-semialdehyde +is_a: CHEBI:24313 ! glutamic semialdehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17233 +name: (3Z,5S)-3-(1-hydroxyethylidene)-5-\{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione +is_a: CHEBI:22838 ! beta-cyclopiazonic acid + +[Term] +id: CHEBI:17234 +name: glucose +is_a: CHEBI:33917 ! aldohexose +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17236 +name: 2-hydroxy-6-oxohexa-2,4-dienoic acid +is_a: CHEBI:38436 ! muconic semialdehyde +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:17237 +name: (E)-4-(trimethylammonio)but-2-enoate +is_a: CHEBI:11946 ! 4-(trimethylammonio)but-2-enoate + +[Term] +id: CHEBI:17239 +name: CDP +is_a: CHEBI:23521 ! cytidine 5'-phosphate +is_a: CHEBI:37039 ! pyrimidine ribonucleoside 5'-diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17240 +name: itaconate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17241 +name: 1H-pyrazole +is_a: CHEBI:14973 ! pyrazole + +[Term] +id: CHEBI:17242 +name: dehydroascorbic acid +is_a: CHEBI:47016 ! tetrahydrofuranone +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17243 +name: mono(2-ethylhexyl) phthalate +is_a: CHEBI:132610 ! phthalic acid monoester + +[Term] +id: CHEBI:17244 +name: 5,6-dihydroquinoline-2,5,6-triol +is_a: CHEBI:38774 ! hydroxyquinoline + +[Term] +id: CHEBI:17245 +name: carbon monoxide +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:23014 ! carbon oxide +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor +relationship: has_role CHEBI:50183 ! P450 inhibitor +relationship: has_role CHEBI:50406 ! probe +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:52214 ! ligand +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17246 +name: poly(vinyl alcohol) macromolecule +is_a: CHEBI:37997 ! homopolymer macromolecule +is_a: CHEBI:53242 ! vinyl polymer macromolecule + +[Term] +id: CHEBI:17247 +name: N-isopropylammelide +is_a: CHEBI:38169 ! monoamino-1,3,5-triazine +is_a: CHEBI:38173 ! dihydroxy-1,3,5-triazine + +[Term] +id: CHEBI:17248 +name: 6-lactoyl-5,6,7,8-tetrahydropterin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:30436 ! tetrahydropterin +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17249 +name: D-nopaline +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:83229 ! amino acid opine +is_a: CHEBI:83965 ! L-arginine derivative +is_a: CHEBI:83983 ! D-glutamic acid derivative + +[Term] +id: CHEBI:17250 +name: 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:17251 +name: pentalenene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon + +[Term] +id: CHEBI:17252 +name: 17alpha-hydroxyprogesterone +is_a: CHEBI:138141 ! 17alpha-hydroxy-C21-steroid +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:59826 ! progestin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17253 +name: 1,2-benzoquinone +is_a: CHEBI:132123 ! 1,2-benzoquinones +is_a: CHEBI:39439 ! benzoquinone + +[Term] +id: CHEBI:17254 +name: 4-methylcatechol +is_a: CHEBI:25289 ! methylcatechol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:59174 ! hapten +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17255 +name: N-carbamoyl-D-alpha-amino acid +is_a: CHEBI:21689 ! N-carbamoyl-amino acid + +[Term] +id: CHEBI:17256 +name: 2'-deoxyadenosine +is_a: CHEBI:142361 ! purines 2'-deoxy-D-ribonucleoside +is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17257 +name: bis-gamma-glutamylcystine +is_a: CHEBI:24195 ! gamma-glutamylcysteine + +[Term] +id: CHEBI:17258 +name: 7H-purine +is_a: CHEBI:35584 ! purine + +[Term] +id: CHEBI:17259 +name: CDP-3,6-dideoxy-D-mannose +is_a: CHEBI:20873 ! CDP-sugar + +[Term] +id: CHEBI:17260 +name: butanoyl dihydrogen phosphate +is_a: CHEBI:16826 ! acyl monophosphate + +[Term] +id: CHEBI:17261 +name: N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine +is_a: CHEBI:21836 ! N(4)-glycosyl-L-asparagine +is_a: CHEBI:24273 ! glucosaminylamine + +[Term] +id: CHEBI:17262 +name: dTDP-D-galacturonic acid +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:33808 ! galacturonic acids + +[Term] +id: CHEBI:17263 +name: estrone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17264 +name: phosphatidylglycerol phosphate +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:17265 +name: O-(1->4)-alpha-L-dihydrostreptosylstreptidine 6-phosphate +is_a: CHEBI:26613 ! scyllo-inositol phosphate + +[Term] +id: CHEBI:17266 +name: L-sorbose +is_a: CHEBI:27922 ! sorbose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17268 +name: myo-inositol +is_a: CHEBI:24848 ! inositol +relationship: has_role CHEBI:23366 ! compatible osmolytes +relationship: has_role CHEBI:33284 ! nutrient +relationship: has_role CHEBI:64763 ! EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:17269 +name: Latia luciferin +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:52343 ! formate ester +relationship: has_role CHEBI:25078 ! luciferin +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:17270 +name: glycerol 2-phosphate +is_a: CHEBI:16890 ! glycerol monophosphate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17271 +name: 3-phosphonatopyruvate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:17272 +name: propionate +is_a: CHEBI:78113 ! fatty acid anion 3:0 +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17274 +name: aldehydo-N-acyl-D-glucosamine +is_a: CHEBI:21638 ! N-acylglucosamine + +[Term] +id: CHEBI:17275 +name: 2-isopropylmaleic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17276 +name: phloretin +is_a: CHEBI:71230 ! dihydrochalcones +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17277 +name: UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:35257 ! UDP-glycopeptide + +[Term] +id: CHEBI:17278 +name: 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:36852 ! 26-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17279 +name: N-succinyl-LL-2,6-diaminopimelic acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17281 +name: 2-deoxy-D-ribono-1,4-lactone +is_a: CHEBI:37434 ! ribonolactone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17282 +name: 3-(indol-3-yl)lactate +is_a: CHEBI:58896 ! 2-hydroxy carboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17283 +name: 1-phosphatidyl-1D-myo-inositol 3-phosphate +is_a: CHEBI:26034 ! phosphatidylinositol 3-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17284 +name: 5-phospho-D-ribosylamine +is_a: CHEBI:26568 ! ribosylamine +is_a: CHEBI:35159 ! ribose monophosphate + +[Term] +id: CHEBI:17285 +name: L-cysteic acid +is_a: CHEBI:21260 ! cysteic acid +is_a: CHEBI:37793 ! amino sulfonic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83824 ! L-cysteine derivative +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17286 +name: deacetylisoipecoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:24922 ! isoquinolines +is_a: CHEBI:25248 ! methyl ester + +[Term] +id: CHEBI:17287 +name: N-phosphocreatine +is_a: CHEBI:26051 ! phosphoamino acid +is_a: CHEBI:64618 ! phosphagen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17289 +name: homoserine lactone +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:1729 +name: 4'-demethyldeoxypodophyllotoxin +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37581 ! gamma-lactone +is_a: CHEBI:50307 ! furonaphthodioxole +is_a: CHEBI:51683 ! methoxybenzenes +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17290 +name: (S)-3-hydroxybutyric acid +is_a: CHEBI:20067 ! 3-hydroxybutyric acid + +[Term] +id: CHEBI:17291 +name: L-fuconic acid +is_a: CHEBI:24116 ! fuconic acid + +[Term] +id: CHEBI:17292 +name: beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:20971 ! D-galactosyl-N-acetyl-D-glucosaminyl-(1->3)-D-galactosyl-(1->4)-D-glucosylceramide +is_a: CHEBI:90800 ! beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17293 +name: 2-aminophenoxazin-3-one +is_a: CHEBI:25970 ! phenoxazine + +[Term] +id: CHEBI:17294 +name: 4,21-dehydrogeissoschizine +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:17295 +name: L-phenylalanine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:28044 ! phenylalanine +is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17296 +name: aniline +is_a: CHEBI:22562 ! anilines +is_a: CHEBI:50471 ! primary arylamine + +[Term] +id: CHEBI:17297 +name: UDP-sugar +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar + +[Term] +id: CHEBI:17298 +name: dolichyl D-xylosyl phosphate +is_a: CHEBI:23875 ! dolichol phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:17299 +name: 4-methylene-L-glutamate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:17300 +name: tetrachloroethene +is_a: CHEBI:23142 ! chloroethenes +is_a: CHEBI:39226 ! chlorocarbon +relationship: has_role CHEBI:50909 ! nephrotoxic agent + +[Term] +id: CHEBI:17301 +name: glucaric acid +is_a: CHEBI:24577 ! hexaric acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17302 +name: pentadecanal +is_a: CHEBI:17176 ! long-chain fatty aldehyde +is_a: CHEBI:84587 ! 2,3-saturated fatty aldehyde +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17303 +name: morphine +is_a: CHEBI:25418 ! morphinane alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:35482 ! opioid analgesic +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:38867 ! anaesthetic +relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:17304 +name: piperitenone +is_a: CHEBI:26153 ! p-menthadien-3-one + +[Term] +id: CHEBI:17305 +name: 2-dehydro-3-deoxy-D-glucaric acid +is_a: CHEBI:33797 ! glucaric acid derivative + +[Term] +id: CHEBI:17306 +name: maltose +is_a: CHEBI:17593 ! maltooligosaccharide +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:50505 ! sweetening agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17307 +name: dTDP-6-deoxy-L-talose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:17308 +name: 2-oxohexanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:59644 ! oxo fatty acid +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:17309 +name: pectin +is_a: CHEBI:24174 ! galacturonan +relationship: has_role CHEBI:55323 ! antidiarrhoeal drug +relationship: has_role CHEBI:63047 ! food emulsifier +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77966 ! food stabiliser +relationship: has_role CHEBI:77970 ! food thickening agent +relationship: has_role CHEBI:78016 ! food gelling agent + +[Term] +id: CHEBI:17310 +name: pyridoxal +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:27306 ! vitamin B6 +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38187 ! pyridinecarbaldehyde +is_a: CHEBI:38196 ! hydroxymethylpyridine +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17311 +name: N(6),N(6),N(6)-trimethyl-L-lysine +is_a: CHEBI:33719 ! alpha-amino-acid cation +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17312 +name: N(1)-acetylspermine +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:22205 ! acetylspermine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17313 +name: 7,8-dihydroxycoumarin +is_a: CHEBI:37912 ! hydroxycoumarin + +[Term] +id: CHEBI:17314 +name: 13-hydroxydocosanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid + +[Term] +id: CHEBI:17315 +name: D-glucosamine +is_a: CHEBI:5417 ! glucosamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17316 +name: 2-N,6-O-disulfo-D-glucosamine +is_a: CHEBI:21794 ! N-sulfoglucosamine +is_a: CHEBI:37878 ! glucosamine sulfate + +[Term] +id: CHEBI:17317 +name: D-sorbose +is_a: CHEBI:27922 ! sorbose + +[Term] +id: CHEBI:17318 +name: N-(3,4-dichlorophenyl)malonamate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:17319 +name: 5'-deoxyadenosine +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:36988 ! 5'-deoxyribonucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17320 +name: 23,24-dihydrocucurbitacin +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:16219 ! cucurbitacin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:17321 +name: 5,6,7,8-tetrahydromethanopterin +is_a: CHEBI:26914 ! tetrahydromethanopterin + +[Term] +id: CHEBI:17322 +name: chloric acid +is_a: CHEBI:33426 ! chlorine oxoacid + +[Term] +id: CHEBI:17323 +name: trans-pinosylvin +is_a: CHEBI:36011 ! pinosylvin + +[Term] +id: CHEBI:17325 +name: 3-hydroxy-3-methylglutarate(2-) +is_a: CHEBI:133251 ! 3-hydroxydicarboxylate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17326 +name: nucleoside triphosphate +is_a: CHEBI:25608 ! nucleoside phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17327 +name: phytol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +relationship: has_role CHEBI:38941 ! schistosomicide drug +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17328 +name: N(6)-[(indol-3-yl)acetyl]-L-lysine +is_a: CHEBI:16232 ! N(6)-acyl-L-lysine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:17329 +name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N(6)-(L-alanyl)-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:35257 ! UDP-glycopeptide + +[Term] +id: CHEBI:17331 +name: N-benzoylanthranilate +is_a: CHEBI:22718 ! benzoates +is_a: CHEBI:61666 ! amidobenzoate + +[Term] +id: CHEBI:17332 +name: planteose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:17333 +name: chorismic acid +is_a: CHEBI:36166 ! 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17334 +name: penicillin +is_a: CHEBI:25865 ! penicillanic acids + +[Term] +id: CHEBI:17335 +name: 4-O-beta-D-glucosyl-4-coumaric acid +is_a: CHEBI:24282 ! glucosyl hydroxycinnamic acid +is_a: CHEBI:76170 ! olefinic phospholipid + +[Term] +id: CHEBI:17336 +name: all-trans-retinol +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:50211 ! retinol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17337 +name: (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:17338 +name: CDP-3,6-dideoxy-D-glucose +is_a: CHEBI:20873 ! CDP-sugar + +[Term] +id: CHEBI:17339 +name: N(5)-acyl-L-ornithine +is_a: CHEBI:21368 ! L-ornithine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:17340 +name: cetraxate +is_a: CHEBI:23084 ! cetraxates +relationship: has_role CHEBI:49201 ! anti-ulcer drug + +[Term] +id: CHEBI:17342 +name: L-2-aminohexano-6-lactam +is_a: CHEBI:19471 ! 2-aminohexano-6-lactam +is_a: CHEBI:25095 ! L-lysine derivative + +[Term] +id: CHEBI:17343 +name: cis-3,4-leucopelargonidin +is_a: CHEBI:60835 ! leucoanthocyanidin +is_a: CHEBI:72584 ! pentahydroxyflavan + +[Term] +id: CHEBI:17344 +name: 2-carboxy-cis,cis-muconic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:17345 +name: guanosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37121 ! guanosine 5'-phosphate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17346 +name: 4-chlorophenylacetonitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:17347 +name: testosterone +is_a: CHEBI:131621 ! C19-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:17348 +name: D-aldohexose 6-phosphate +is_a: CHEBI:2559 ! aldohexose 6-phosphate +is_a: CHEBI:4195 ! D-hexose 6-phosphate + +[Term] +id: CHEBI:17349 +name: 5-methyl-5,6,7,8-tetrahydromethanopterin +is_a: CHEBI:26914 ! tetrahydromethanopterin + +[Term] +id: CHEBI:17351 +name: linoleic acid +is_a: CHEBI:25627 ! octadecadienoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17352 +name: (R)-mandelamide +is_a: CHEBI:136824 ! mandelamide + +[Term] +id: CHEBI:17354 +name: 16beta-hydroxy steroid +is_a: CHEBI:36840 ! 16-hydroxy steroid + +[Term] +id: CHEBI:17355 +name: (S)-2-acetamido-6-oxopimelic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:51569 ! N-acyl-amino acid + +[Term] +id: CHEBI:17356 +name: 2-acetamidofluorene +is_a: CHEBI:19432 ! 2-acetamidofluorenes +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:64911 ! antimitotic + +[Term] +id: CHEBI:17357 +name: L-rhamnonic acid +is_a: CHEBI:21376 ! rhamnonic acid + +[Term] +id: CHEBI:17358 +name: N(4)-phosphoagmatine +is_a: CHEBI:17102 ! phosphoramide + +[Term] +id: CHEBI:17359 +name: sulfite +is_a: CHEBI:33482 ! sulfur oxoanion +is_a: CHEBI:48154 ! sulfur oxide +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:17360 +name: D-altronate +is_a: CHEBI:33530 ! altronate + +[Term] +id: CHEBI:17361 +name: cytidine 5'-monophosphate +is_a: CHEBI:23521 ! cytidine 5'-phosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17362 +name: quinoline +is_a: CHEBI:26513 ! quinolines +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +is_a: CHEBI:50893 ! azaarene +is_a: CHEBI:52362 ! ortho-fused heteroarene + +[Term] +id: CHEBI:17363 +name: D-ribulose 5-phosphate +is_a: CHEBI:37455 ! ribulose 5-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17364 +name: D-aspartic acid +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:22660 ! aspartic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17365 +name: 2,4-dichloro-cis,cis-muconic acid +is_a: CHEBI:38409 ! 2,4-dichloromuconic acid + +[Term] +id: CHEBI:17367 +name: 2-hydroxy-6-oxonona-2,4-dienedioic acid +is_a: CHEBI:25576 ! nonadienedioic acid + +[Term] +id: CHEBI:17368 +name: hypoxanthine +is_a: CHEBI:25810 ! oxopurine +is_a: CHEBI:26386 ! purine nucleobase +is_a: CHEBI:67142 ! nucleobase analogue +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17369 +name: D-mannose 6-phosphate +is_a: CHEBI:616988 ! mannose 6-phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17371 +name: macrocin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25022 ! leucomycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:17372 +name: 1,2-dihydrovomilenine +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:17374 +name: N(6)-acetyl-N(6)-hydroxy-L-lysine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid + +[Term] +id: CHEBI:17375 +name: (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:17376 +name: cystine +is_a: CHEBI:23509 ! cysteine derivative +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:35489 ! organic disulfide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17377 +name: bergaptol +is_a: CHEBI:26369 ! psoralens +is_a: CHEBI:52058 ! 5-hydroxyfurocoumarin + +[Term] +id: CHEBI:17378 +name: D-glyceraldehyde +is_a: CHEBI:5445 ! glyceraldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17379 +name: isovitexin 2''-O-beta-D-glucoside +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17380 +name: 3-hydroxy-L-kynurenine +is_a: CHEBI:1547 ! 3-hydroxykynurenine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17381 +name: porphobilinogen +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:64365 ! aralkylamino compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17382 +name: 5'-O-beta-D-glucosylpyridoxine +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:17383 +name: GDP-D-glucose +is_a: CHEBI:29062 ! GDP-glucose + +[Term] +id: CHEBI:17384 +name: 17-O-acetylnorajmaline +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:17385 +name: 3-(4-hydroxyphenyl)lactic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17387 +name: O-acylcarnitine +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35284 ! ammonium betaine + +[Term] +id: CHEBI:17388 +name: (S)-1-pyrroline-5-carboxylate +is_a: CHEBI:15893 ! 1-pyrroline-5-carboxylate + +[Term] +id: CHEBI:17389 +name: 2-monoglyceride +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:76575 ! monosubstituted glycerol + +[Term] +id: CHEBI:17390 +name: allocryptopine +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:38608 ! dibenzazecine alkaloid +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:59770 ! cyclic acetal + +[Term] +id: CHEBI:17391 +name: 5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside +is_a: CHEBI:20961 ! D-galactoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:17393 +name: D-allose +is_a: CHEBI:17608 ! D-aldohexose +is_a: CHEBI:37690 ! allose + +[Term] +id: CHEBI:17394 +name: N(5)-ethyl-L-glutamine +is_a: CHEBI:21844 ! N(5)-alkyl-L-glutamine +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17395 +name: cis-caffeic acid +is_a: CHEBI:36281 ! caffeic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17396 +name: (R)-prunasin +is_a: CHEBI:25150 ! prunasin + +[Term] +id: CHEBI:17397 +name: 3-methyloxindole +is_a: CHEBI:38459 ! oxindoles +is_a: CHEBI:38460 ! methylindole + +[Term] +id: CHEBI:17399 +name: L-xylulose +is_a: CHEBI:27353 ! xylulose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17400 +name: raucaffricine +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:17401 +name: myo-inositol hexakisphosphate +is_a: CHEBI:25445 ! myo-inositol hexakisphosphates +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38157 ! iron chelator +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17402 +name: 2-methylpropanoyl phosphate +is_a: CHEBI:16826 ! acyl monophosphate + +[Term] +id: CHEBI:17403 +name: 3-chloro-L-alanine +is_a: CHEBI:83943 ! L-alanine derivative +is_a: CHEBI:88164 ! 3-chloroalanine + +[Term] +id: CHEBI:17404 +name: indan-1-one +is_a: CHEBI:38132 ! indanone + +[Term] +id: CHEBI:17405 +name: 4-pyridoxic acid +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:27306 ! vitamin B6 +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38196 ! hydroxymethylpyridine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17406 +name: 3-(imidazol-5-yl)pyruvic acid +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:25754 ! oxo carboxylic acid + +[Term] +id: CHEBI:17407 +name: 2-trans,6-trans-farnesyl diphosphate +is_a: CHEBI:50277 ! farnesyl diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17408 +name: monoglyceride +is_a: CHEBI:47778 ! glyceride + +[Term] +id: CHEBI:17409 +name: 10-hydroxycapric acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:17410 +name: pteridine-2,4,6,7-tetrol +is_a: CHEBI:26373 ! pteridines + +[Term] +id: CHEBI:17413 +name: 2-(hydroxymethyl)-4-oxobutanoic acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde + +[Term] +id: CHEBI:17415 +name: 2,5-dioxopentanoic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:35951 ! dioxo monocarboxylic acid + +[Term] +id: CHEBI:17416 +name: 3,4-dihydroxyphthalic acid +is_a: CHEBI:26094 ! benzenedicarboxylic acid + +[Term] +id: CHEBI:17417 +name: N-caffeoylputrescine +is_a: CHEBI:26406 ! N-substituted putrescine + +[Term] +id: CHEBI:17418 +name: valeric acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17419 +name: 3-hydroxy-cis,cis-muconic acid +is_a: CHEBI:24553 ! hexadienedioic acid + +[Term] +id: CHEBI:17420 +name: tetrahydropteroyltri-L-glutamic acid +is_a: CHEBI:26920 ! tetrahydropteroyltri-L-glutamate + +[Term] +id: CHEBI:17421 +name: heparan sulfate N-acetyl-alpha-D-glucosaminide +is_a: CHEBI:24495 ! heparan alpha-D-glucosaminide +is_a: CHEBI:27425 ! N-acetyl-alpha-D-glucosaminide +is_a: CHEBI:35721 ! heparan sulfates + +[Term] +id: CHEBI:17422 +name: P(1),P(4)-bis(5'-adenosyl) tetraphosphate +is_a: CHEBI:63738 ! diadenosyl tetraphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17424 +name: 4-carboxy-2-hydroxy-cis,cis-muconic acid +is_a: CHEBI:16321 ! 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid + +[Term] +id: CHEBI:17425 +name: 1-pyrroline-2-carboxylate +is_a: CHEBI:26457 ! 1-pyrrolinecarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17426 +name: 5-dehydro-D-gluconic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17427 +name: 3-hydroxy-L-aspartate residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:17428 +name: (R)-reticuline +is_a: CHEBI:26533 ! reticuline + +[Term] +id: CHEBI:17429 +name: 3-ketosucrose +is_a: CHEBI:24407 ! glycosyl glycoside +is_a: CHEBI:24957 ! keto-disaccharide + +[Term] +id: CHEBI:17431 +name: agmatine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17433 +name: queuine +is_a: CHEBI:38670 ! pyrrolopyrimidine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17434 +name: trimethylsulfonium +is_a: CHEBI:26830 ! sulfonium compound +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:17435 +name: naphthalene-1,2-diol +is_a: CHEBI:38133 ! naphthalenediol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17436 +name: (R)-5-phosphomevalonic acid +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:36952 ! carboxyalkyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17437 +name: dimethyl sulfide +is_a: CHEBI:22327 ! aliphatic sulfide +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17438 +name: O-beta-D-xylosylzeatin +is_a: CHEBI:27926 ! beta-D-xyloside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:17439 +name: cyanocob(III)alamin +is_a: CHEBI:140785 ! alkylcob(III)alamin +is_a: CHEBI:23333 ! cob(III)alamins +relationship: has_role CHEBI:33229 ! vitamin + +[Term] +id: CHEBI:17440 +name: 4-nitrophenyl phosphate +is_a: CHEBI:36943 ! aryl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17441 +name: chlorite +is_a: CHEBI:33437 ! chlorine oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:17442 +name: 4-(2-aminophenyl)-2,4-dioxobutanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17443 +name: L-homocitrulline +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17445 +name: 3-hydroxyphenylacetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17446 +name: 3-D-glucuronosyl-N(2),6-disulfo-beta-D-glucosamine +is_a: CHEBI:21794 ! N-sulfoglucosamine +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:37878 ! glucosamine sulfate +is_a: CHEBI:63361 ! glycosylglucose derivative + +[Term] +id: CHEBI:17447 +name: geraniol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:24221 ! 3,7-dimethylocta-2,6-dien-1-ol +is_a: CHEBI:25409 ! monoterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17448 +name: methanofuran +is_a: CHEBI:24129 ! furans + +[Term] +id: CHEBI:17450 +name: cis-4-coumaric acid +is_a: CHEBI:36090 ! 4-coumaric acid + +[Term] +id: CHEBI:17453 +name: methylmalonate(2-) +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17454 +name: UDP-L-rhamnose +is_a: CHEBI:63061 ! UDP-rhamnose + +[Term] +id: CHEBI:17455 +name: N-(2,3-dihydroxybenzoyl)-L-serine +is_a: CHEBI:84135 ! L-serine derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17456 +name: dithioerythritol +is_a: CHEBI:25189 ! 1,4-dimercaptobutane-2,3-diol +relationship: has_role CHEBI:63247 ! reducing agent + +[Term] +id: CHEBI:17457 +name: 14'-apo-beta-carotenal +is_a: CHEBI:23041 ! carotenal +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:17458 +name: N-methyltyramine +is_a: CHEBI:27175 ! tyramines +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17459 +name: D-iditol +is_a: CHEBI:24766 ! iditol +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:17460 +name: lipoamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:39192 ! dithiolanes +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17464 +name: L-galactono-1,4-lactone +is_a: CHEBI:24150 ! galactonolactone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17465 +name: phaseollidin hydrate +is_a: CHEBI:26377 ! pterocarpans +relationship: has_role CHEBI:26115 ! phytoalexin + +[Term] +id: CHEBI:17466 +name: GDP-D-mannuronate +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:17467 +name: 4-(dimethylamino)phenylazoxybenzene +is_a: CHEBI:37390 ! azoxy compound + +[Term] +id: CHEBI:17468 +name: (4-bromophenylsulfanyl)pyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:17469 +name: N-adenylylanthranilic acid +is_a: CHEBI:37773 ! organic phosphoramidate + +[Term] +id: CHEBI:17470 +name: 2-O-caffeoylglucaric acid +is_a: CHEBI:33797 ! glucaric acid derivative + +[Term] +id: CHEBI:17473 +name: 1-alkyl-2-acetyl-3-acyl-sn-glycerol +is_a: CHEBI:36727 ! 1-alkyl-2,3-diacylglycerol + +[Term] +id: CHEBI:17474 +name: estrone 3-sulfate +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:19168 ! 17-oxo steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17475 +name: aminomalonic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:17476 +name: 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine +is_a: CHEBI:76170 ! olefinic phospholipid + +[Term] +id: CHEBI:17477 +name: uracil-5-carboxylic acid +is_a: CHEBI:26447 ! pyrimidinemonocarboxylic acid + +[Term] +id: CHEBI:17478 +name: aldehyde +is_a: CHEBI:36586 ! carbonyl compound +relationship: has_part CHEBI:42485 ! formyl group + +[Term] +id: CHEBI:17479 +name: enol-oxaloacetate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:17482 +name: L-cystathionine +is_a: CHEBI:17755 ! cystathionine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17484 +name: benzyl isothiocyanate +is_a: CHEBI:52221 ! isothiocyanate +relationship: has_role CHEBI:36047 ! antibacterial drug + +[Term] +id: CHEBI:17485 +name: homocystine +is_a: CHEBI:24612 ! homocystines +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17486 +name: (S)-atropine +is_a: CHEBI:78734 ! tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate + +[Term] +id: CHEBI:17488 +name: scopoletin +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:26155 ! plant growth regulator +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17489 +name: 3',5'-cyclic AMP +is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide +is_a: CHEBI:61296 ! adenyl ribonucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17490 +name: O-palmitoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:73067 ! O-palmitoylcarnitine +relationship: has_role CHEBI:63510 ! EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17491 +name: S-(2-hydroxyacyl)glutathione +is_a: CHEBI:24337 ! glutathione derivative + +[Term] +id: CHEBI:17494 +name: CDP-4-dehydro-6-deoxy-D-glucose +is_a: CHEBI:20873 ! CDP-sugar +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:17495 +name: cholesteryl beta-D-glucoside +is_a: CHEBI:37424 ! sterol 3-beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:17497 +name: glycolic acid +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50176 ! keratolytic drug + +[Term] +id: CHEBI:17499 +name: hydrogen donor +is_a: CHEBI:15022 ! electron donor + +[Term] +id: CHEBI:17500 +name: 7alpha-hydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17501 +name: 3,3'-dimethoxystilbene-4,4'-diol +is_a: CHEBI:36027 ! stilbenol + +[Term] +id: CHEBI:17502 +name: 2-methylpropanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime + +[Term] +id: CHEBI:17503 +name: N-acyl-D-glutamates(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59876 ! N-acyl-D-alpha-amino acid anion + +[Term] +id: CHEBI:17504 +name: 1-O-acyl-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:11230 ! 1-acylglycerophosphocholine(1+) +is_a: CHEBI:60479 ! lysophosphatidylcholine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17505 +name: alpha-D-galactosyl-(1->3)-1D-myo-inositol +is_a: CHEBI:46953 ! alpha-D-galactoside +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17506 +name: 2-(alpha-D-galactosyl)-sn-glycerol 3-phosphate +is_a: CHEBI:24167 ! galactosylglycerol phosphate + +[Term] +id: CHEBI:17507 +name: psychosine sulfate +is_a: CHEBI:36477 ! sulfoglycosphingolipid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17508 +name: 7,8-dihydroxykynurenic acid +is_a: CHEBI:26512 ! quinolinemonocarboxylic acid +is_a: CHEBI:38774 ! hydroxyquinoline + +[Term] +id: CHEBI:17509 +name: 5'-S-methyl-5'-thioadenosine +is_a: CHEBI:26953 ! thioadenosine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17510 +name: dTDP-D-fucose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:17511 +name: 3-O-L-alanyl-1-O-phosphatidylglycerol +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:17512 +name: methyl 2-O-alpha-L-fucopyranosyl-beta-D-galactoside +is_a: CHEBI:25302 ! methyl glycoside +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:17514 +name: cyanide +is_a: CHEBI:36828 ! pseudohalide anion +relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor + +[Term] +id: CHEBI:17515 +name: L-gamma-glutamyl-L-cysteine +is_a: CHEBI:24195 ! gamma-glutamylcysteine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17516 +name: but-1-ene-1,2,4-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:17517 +name: phosphatidylglycerol +is_a: CHEBI:24360 ! glycerophosphoglycerols +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17519 +name: N-methyl-L-alanine +is_a: CHEBI:25264 ! methyl-L-alanine + +[Term] +id: CHEBI:17520 +name: phenylthioacetohydroximic acid +is_a: CHEBI:22179 ! acetohydroximates +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:17521 +name: (-)-quinic acid +is_a: CHEBI:26493 ! quinic acid + +[Term] +id: CHEBI:17522 +name: alditol +is_a: CHEBI:16646 ! carbohydrate +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:17524 +name: 6-alkylaminopurine +is_a: CHEBI:20706 ! 6-aminopurines + +[Term] +id: CHEBI:17525 +name: testolic acid +is_a: CHEBI:26616 ! seco-androstane + +[Term] +id: CHEBI:17526 +name: 1-phosphatidyl-1D-myo-inositol 4-phosphate +is_a: CHEBI:37530 ! phosphatidylinositol 4-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17527 +name: 1,2,3,6-tetrakis-O-galloyl-beta-D-glucose +is_a: CHEBI:24183 ! galloyl beta-D-glucose +is_a: CHEBI:37576 ! gallate ester + +[Term] +id: CHEBI:17528 +name: all-trans-hexaprenyl diphosphate +is_a: CHEBI:53047 ! hexaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17529 +name: kievitone hydrate +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:72739 ! hydroxyisoflavanone + +[Term] +id: CHEBI:17530 +name: L-arogenic acid +is_a: CHEBI:21239 ! arogenic acid + +[Term] +id: CHEBI:17531 +name: trans-beta-D-glucosyl-2-hydroxycinnamic acid +is_a: CHEBI:24282 ! glucosyl hydroxycinnamic acid + +[Term] +id: CHEBI:17532 +name: (S)-6-hydroxynicotine +is_a: CHEBI:24729 ! 6-hydroxynicotine + +[Term] +id: CHEBI:17533 +name: N-acetyl-L-glutamic acid +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:21650 ! N-acyl-L-glutamic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17534 +name: 6-amino-2-oxohexanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35958 ! epsilon-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17535 +name: L-arabinopyranose +is_a: CHEBI:30849 ! L-arabinose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17536 +name: allantoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:47857 ! ureas +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17537 +name: Tyr-Arg +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:17539 +name: 9-cis,11-trans-octadecadienoate +is_a: CHEBI:38393 ! octadeca-9,11-dienoate + +[Term] +id: CHEBI:17540 +name: methyl beta-D-galactoside +is_a: CHEBI:25263 ! methyl D-galactoside +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:17541 +name: 2-carboxy-D-arabinitol 1-phosphate +is_a: CHEBI:37392 ! ribonic acid phosphate + +[Term] +id: CHEBI:17543 +name: 1-phospho-alpha-D-galacturonic acid +is_a: CHEBI:35139 ! uronic acid phosphate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17544 +name: hydrogencarbonate +is_a: CHEBI:35604 ! carbon oxoanion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17545 +name: (E)-indol-3-ylacetaldehyde oxime +is_a: CHEBI:28311 ! indol-3-ylacetaldehyde oxime + +[Term] +id: CHEBI:17546 +name: (2Z)-5-isopropyl-2-methylhexa-2,5-dienal +is_a: CHEBI:24551 ! hexadienal + +[Term] +id: CHEBI:17548 +name: alginic acid +is_a: CHEBI:16966 ! heteroglycan +is_a: CHEBI:53310 ! copolymer macromolecule +is_a: CHEBI:72813 ! exopolysaccharide +relationship: has_role CHEBI:50248 ! hematologic agent + +[Term] +id: CHEBI:17549 +name: 5-aminolevulinic acid +is_a: CHEBI:35931 ! delta-amino acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:50177 ! dermatologic drug +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17550 +name: UDP-N-acetyl-D-galactosamine 4-sulfate +is_a: CHEBI:37861 ! nucleotide-sugar sulfate + +[Term] +id: CHEBI:17551 +name: ecdysone palmitate +is_a: CHEBI:23895 ! ecdysteroid ester +is_a: CHEBI:25835 ! hexadecanoate ester + +[Term] +id: CHEBI:17552 +name: GDP +is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate +is_a: CHEBI:37121 ! guanosine 5'-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17553 +name: O-phosphoethanolamine +is_a: CHEBI:36711 ! phosphoethanolamine +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17555 +name: 1-alkyl-2-acetyl-sn-glycerol 3-phosphate +is_a: CHEBI:37296 ! 1-alkyl-2-acyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:17556 +name: phaseollidin +is_a: CHEBI:26377 ! pterocarpans + +[Term] +id: CHEBI:17558 +name: quercitrin +is_a: CHEBI:27848 ! alpha-L-rhamnoside +is_a: CHEBI:38684 ! tetrahydroxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:76424 ! quercetin O-glycoside +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:48550 ! EC 1.1.1.21 (aldehyde reductase) inhibitor +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +relationship: has_role CHEBI:70868 ! antileishmanial agent +relationship: has_role CHEBI:73136 ! EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17559 +name: 3alpha(S)-strictosidine +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38481 ! alkaloid ester +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:17560 +name: 2,2'-iminodipropanoate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:17561 +name: L-cysteine +is_a: CHEBI:15356 ! cysteine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:26650 ! serine family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:64577 ! flour treatment agent +relationship: has_role CHEBI:77703 ! EC 4.3.1.3 (histidine ammonia-lyase) inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17562 +name: cytidine +is_a: CHEBI:23524 ! cytidines +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17563 +name: phthalate(2-) +is_a: CHEBI:26092 ! phthalate +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17566 +name: indole-3-acetonitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:24828 ! indoles +relationship: has_role CHEBI:22676 ! auxin +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17567 +name: O-alkylglycerone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:24358 ! glycerone derivative +is_a: CHEBI:25698 ! ether + +[Term] +id: CHEBI:17568 +name: uracil +is_a: CHEBI:26432 ! pyrimidine nucleobase +is_a: CHEBI:38337 ! pyrimidone +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:17571 +name: beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl group +is_a: CHEBI:21524 ! N-acetyl-D-glucosaminyl groups + +[Term] +id: CHEBI:17572 +name: 5-amino-2-oxopentanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:17573 +name: glycyrrhetinate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:17574 +name: biochanin A +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:55465 ! 7-hydroxyisoflavones +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor +relationship: has_role CHEBI:64033 ! EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:17575 +name: S-(5-deoxy-D-ribos-5-yl)-L-homocysteine +is_a: CHEBI:24610 ! homocysteines + +[Term] +id: CHEBI:17576 +name: (3R)-3-hydroxy-L-aspartic acid +is_a: CHEBI:48423 ! 3-hydroxy-L-aspartic acid + +[Term] +id: CHEBI:175763 +name: 2-trans,6-trans-farnesyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17578 +name: toluene +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:27024 ! toluenes +is_a: CHEBI:38975 ! methylbenzene +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:48873 ! cholinergic antagonist +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:62803 ! fuel additive + +[Term] +id: CHEBI:17579 +name: beta-carotene +is_a: CHEBI:139120 ! carotenoid beta-end group +is_a: CHEBI:35163 ! cyclic carotene +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:67200 ! provitamin A +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17580 +name: linalool +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17581 +name: N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl group +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group + +[Term] +id: CHEBI:17582 +name: isochorismic acid +is_a: CHEBI:36166 ! 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid + +[Term] +id: CHEBI:17583 +name: N-(long-chain-fatty-acyl)-L-glutamate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:17585 +name: trans-hexadec-2-enal +is_a: CHEBI:13757 ! n-alk-2-enal +is_a: CHEBI:24547 ! hexadecenal +is_a: CHEBI:84588 ! trans-2,3-unsaturated fatty aldehyde + +[Term] +id: CHEBI:17586 +name: CoA-glutathione +is_a: CHEBI:24337 ! glutathione derivative +is_a: CHEBI:35489 ! organic disulfide + +[Term] +id: CHEBI:17587 +name: L-gulono-1,4-lactone +is_a: CHEBI:37433 ! gulonolactone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17588 +name: L-homocysteine +is_a: CHEBI:17230 ! homocysteine +is_a: CHEBI:26650 ! serine family amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17589 +name: 3-chloro-cis,cis-muconate(2-) +is_a: CHEBI:38411 ! chlorocarboxylic acid anion + +[Term] +id: CHEBI:17590 +name: octane +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:175901 +name: gemcitabine +is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside +is_a: CHEBI:37143 ! organofluorine compound +relationship: has_role CHEBI:132992 ! radiosensitizing agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:36044 ! antiviral drug +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor +relationship: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:17592 +name: N(5)-methyl-L-glutamine +is_a: CHEBI:21760 ! N-methyl-amino acid +is_a: CHEBI:21844 ! N(5)-alkyl-L-glutamine + +[Term] +id: CHEBI:17593 +name: maltooligosaccharide +is_a: CHEBI:24268 ! glucooligosaccharide + +[Term] +id: CHEBI:17594 +name: hydroquinone +is_a: CHEBI:17701 ! benzenediol +is_a: CHEBI:24646 ! hydroquinones +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:85046 ! skin lightening agent + +[Term] +id: CHEBI:17596 +name: inosine +is_a: CHEBI:142355 ! purines D-ribonucleoside +is_a: CHEBI:24844 ! inosines +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17597 +name: 4-hydroxybenzaldehyde +is_a: CHEBI:24673 ! hydroxybenzaldehyde +relationship: has_role CHEBI:139339 ! EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17598 +name: phorbol 12,13-dibutanoate +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:37532 ! phorbol ester +is_a: CHEBI:50477 ! butyrate ester + +[Term] +id: CHEBI:17600 +name: hexadecanal +is_a: CHEBI:17176 ! long-chain fatty aldehyde +is_a: CHEBI:84587 ! 2,3-saturated fatty aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17601 +name: 6,7-dimethyl-8-(1-D-ribityl)lumazine +is_a: CHEBI:26373 ! pteridines +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17602 +name: 4-aminophenol +is_a: CHEBI:28829 ! aminophenol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17604 +name: N(6)-methyl-L-lysine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:17605 +name: 2-formylbenzoic acid +is_a: CHEBI:22698 ! benzaldehydes +is_a: CHEBI:26643 ! aldehydic acid +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:17606 +name: diiodine +is_a: CHEBI:36891 ! diatomic iodine +relationship: has_role CHEBI:33284 ! nutrient + +[Term] +id: CHEBI:17607 +name: 1,5-dihydroriboflavin +is_a: CHEBI:15031 ! dihydroriboflavins +is_a: CHEBI:62787 ! 1,5-dihydroflavin + +[Term] +id: CHEBI:17608 +name: D-aldohexose +is_a: CHEBI:33917 ! aldohexose +is_a: CHEBI:4194 ! D-hexose + +[Term] +id: CHEBI:17609 +name: cortisol 21-acetate +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:23396 ! cortisol ester + +[Term] +id: CHEBI:17610 +name: 3-nitroacrylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:17611 +name: 3-hydroxycyclohexanone +is_a: CHEBI:24693 ! hydroxycyclohexanone + +[Term] +id: CHEBI:17612 +name: (3,4-dihydroxyphenyl)acetate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17613 +name: all-trans-heptaprenyl diphosphate +is_a: CHEBI:53046 ! heptaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate + +[Term] +id: CHEBI:17614 +name: 5-methyltetrahydropteroyltri-L-glutamic acid +is_a: CHEBI:26920 ! tetrahydropteroyltri-L-glutamate + +[Term] +id: CHEBI:17615 +name: 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:61799 ! beta-D-galactopyranosyl diglyceride +is_a: CHEBI:90549 ! 1-monohexosyl-2,3-diacylglycerol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17616 +name: all-trans-retinyl palmitate +is_a: CHEBI:15040 ! retinyl palmitate +is_a: CHEBI:63410 ! all-trans-retinyl ester + +[Term] +id: CHEBI:17617 +name: L-fuculose +is_a: CHEBI:24965 ! deoxyketohexose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17618 +name: bis-D-fructose 2',1:2,1'-dianhydride +is_a: CHEBI:33922 ! sugar dianhydride + +[Term] +id: CHEBI:17619 +name: 4-(3-methylbut-2-enyl)-L-tryptophan +is_a: CHEBI:47994 ! L-tryptophan derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:17620 +name: ferulic acid +is_a: CHEBI:24031 ! ferulic acids +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:64345 ! MALDI matrix material +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:68494 ! apoptosis inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77307 ! cardioprotective agent + +[Term] +id: CHEBI:17621 +name: FMN +is_a: CHEBI:24041 ! flavin mononucleotide +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17622 +name: dUMP +is_a: CHEBI:23641 ! deoxyuridine phosphate +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17623 +name: cyclomaltodextrin +is_a: CHEBI:23448 ! cyclic oligosaccharide +is_a: CHEBI:25140 ! maltodextrin + +[Term] +id: CHEBI:17624 +name: dolichyl beta-D-mannosyl phosphate +is_a: CHEBI:15809 ! dolichyl D-mannosyl phosphate + +[Term] +id: CHEBI:17625 +name: dUTP +is_a: CHEBI:23641 ! deoxyuridine phosphate +is_a: CHEBI:37043 ! pyrimidine 2'-deoxyribonucleoside 5'-triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17626 +name: citraconic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17627 +name: ferroheme b +is_a: CHEBI:26355 ! heme b +is_a: CHEBI:38573 ! ferroheme +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17628 +name: 2-aminoacetaldehyde +is_a: CHEBI:22492 ! amino aldehyde +is_a: CHEBI:27390 ! omega-aminoaldehyde +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17630 +name: kanamycin A +is_a: CHEBI:24951 ! kanamycins +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:17631 +name: alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:17632 +name: nitrate +is_a: CHEBI:33458 ! nitrogen oxoanion +is_a: CHEBI:62764 ! reactive nitrogen species +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:17633 +name: guanosine 3',5'-bis(diphosphate) +is_a: CHEBI:37124 ! guanosine bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17634 +name: D-glucose +is_a: CHEBI:17234 ! glucose +is_a: CHEBI:17608 ! D-aldohexose + +[Term] +id: CHEBI:17636 +name: sphingomyelin d18:1 +is_a: CHEBI:64583 ! sphingomyelin + +[Term] +id: CHEBI:17637 +name: 6-methylsalicylic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76964 ! Penicillium metabolite + +[Term] +id: CHEBI:17639 +name: 3-oxo-5beta-cholanic acid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid + +[Term] +id: CHEBI:17640 +name: 3-(indol-3-yl)pyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:38468 ! indol-3-yl carboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17642 +name: pentachlorophenol +is_a: CHEBI:23150 ! chlorophenol +is_a: CHEBI:38656 ! organochlorine pesticide +is_a: CHEBI:83390 ! pentachlorobenzenes +is_a: CHEBI:87034 ! aromatic fungicide +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17643 +name: 9-riburonosylhypoxanthine +is_a: CHEBI:26394 ! purine nucleoside + +[Term] +id: CHEBI:17645 +name: 4-acetamidobutanoic acid +is_a: CHEBI:134018 ! N-acyl-gamma-aminobutyric acid +is_a: CHEBI:22160 ! acetamides +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17646 +name: mevaldic acid +is_a: CHEBI:35952 ! 5-oxo monocarboxylic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:17647 +name: 2-dehydro-3-deoxy-L-arabinonic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33753 ! pentonic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:17648 +name: N-adenylyl-L-phenylalanine +is_a: CHEBI:84144 ! L-phenylalanine derivative + +[Term] +id: CHEBI:17649 +name: hydroxymalonate(2-) +is_a: CHEBI:24711 ! hydroxymalonate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:17650 +name: cortisol +is_a: CHEBI:138141 ! 17alpha-hydroxy-C21-steroid +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:24261 ! glucocorticoid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:49167 ! anti-asthmatic drug +relationship: has_role CHEBI:50857 ! anti-allergic agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17652 +name: 3-hydroxy-L-glutamate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:17654 +name: electron acceptor +is_a: CHEBI:15339 ! acceptor + +[Term] +id: CHEBI:17655 +name: 4-hydroxy-2-oxopentanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17656 +name: (R)-mandelic acid +is_a: CHEBI:35825 ! mandelic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17658 +name: tylosin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25022 ! leucomycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:17659 +name: UDP +is_a: CHEBI:27232 ! uridine 5'-phosphate +is_a: CHEBI:37039 ! pyrimidine ribonucleoside 5'-diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17660 +name: N(6)-dimethylallyladenine +is_a: CHEBI:38643 ! 6-isopentenylaminopurine +relationship: has_role CHEBI:23530 ! cytokinin + +[Term] +id: CHEBI:17661 +name: GDP-6-deoxy-alpha-D-mannose +is_a: CHEBI:21169 ! GDP-sugar + +[Term] +id: CHEBI:17663 +name: (R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid +is_a: CHEBI:140392 ! (3R)-3-hydroxybutanoic acid oligomer +is_a: CHEBI:33308 ! carboxylic ester +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:17664 +name: alkylaminium +is_a: CHEBI:65296 ! primary ammonium ion + +[Term] +id: CHEBI:17665 +name: alpha-D-glucose 6-phosphate +is_a: CHEBI:4170 ! D-glucopyranose 6-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17666 +name: L-ribulose 5-phosphate +is_a: CHEBI:37455 ! ribulose 5-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17667 +name: 3-hydroxy-3-methyl-2-oxobutanoic acid +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:17668 +name: ribonucleoside diphosphate +is_a: CHEBI:16862 ! nucleoside diphosphate + +[Term] +id: CHEBI:17670 +name: 1,2-diacyl-3-O-(alpha-D-glucosyl)-sn-glycerol +is_a: CHEBI:24262 ! glucoglycerolipid +relationship: has_part CHEBI:30684 ! alpha-D-glucosyl group + +[Term] +id: CHEBI:17671 +name: 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde +is_a: CHEBI:18634 ! (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde + +[Term] +id: CHEBI:17672 +name: carbamoyl phosphate +is_a: CHEBI:16826 ! acyl monophosphate +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17675 +name: Watasenia luciferin +is_a: CHEBI:37847 ! imidazopyrazine +is_a: CHEBI:37919 ! aryl sulfate +relationship: has_role CHEBI:25078 ! luciferin + +[Term] +id: CHEBI:17676 +name: 2-(beta-D-glucopyranosyluronic acid)-D-glucuronic acid +is_a: CHEBI:24405 ! glycosylglucose +is_a: CHEBI:33886 ! glucuronic acids + +[Term] +id: CHEBI:17677 +name: CTP +is_a: CHEBI:23521 ! cytidine 5'-phosphate +is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17678 +name: 2'-hydroxyformononetin +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:55465 ! 7-hydroxyisoflavones +relationship: has_role CHEBI:67079 ! anti-inflammatory agent + +[Term] +id: CHEBI:17679 +name: 5-hydroxybenzimidazolylcob(I)amide +is_a: CHEBI:23341 ! cobamides + +[Term] +id: CHEBI:17680 +name: D-glucose 1,6-bisphosphate +is_a: CHEBI:21005 ! D-glucose bisphosphate + +[Term] +id: CHEBI:17681 +name: pyridine-2,6-diol +is_a: CHEBI:23793 ! dihydroxypyridine + +[Term] +id: CHEBI:17682 +name: benzoin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:51586 ! benzoins +relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor + +[Term] +id: CHEBI:17683 +name: UDP-L-iduronic acid +is_a: CHEBI:17297 ! UDP-sugar +is_a: CHEBI:24768 ! iduronates + +[Term] +id: CHEBI:17684 +name: N-formyl-L-glutamate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:17685 +name: 3-hydroxyquinine +is_a: CHEBI:51323 ! cinchona alkaloid + +[Term] +id: CHEBI:17687 +name: glycocholic acid +is_a: CHEBI:36255 ! bile acid glycine conjugate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17688 +name: (S)-nicotine +is_a: CHEBI:138000 ! 3-(1-methylpyrrolidin-2-yl)pyridine +relationship: has_role CHEBI:22917 ! phytogenic insecticide +relationship: has_role CHEBI:35471 ! psychotropic drug +relationship: has_role CHEBI:35474 ! anxiolytic drug +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist +relationship: has_role CHEBI:49110 ! peripheral nervous system drug +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:52290 ! mitogen +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17689 +name: sphingosine-1-phosphocholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:35786 ! phosphosphingolipid +is_a: CHEBI:36700 ! phosphocholines + +[Term] +id: CHEBI:17691 +name: N-feruloylglycine +is_a: CHEBI:16180 ! N-acylglycine + +[Term] +id: CHEBI:17692 +name: cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid +is_a: CHEBI:36194 ! cyclohexadienedicarboxylic acid + +[Term] +id: CHEBI:17693 +name: 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:38183 ! pyridone + +[Term] +id: CHEBI:17694 +name: dihydrolipoamide +is_a: CHEBI:23853 ! dithiol +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17695 +name: casbene +is_a: CHEBI:35190 ! diterpene +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:17696 +name: isocyanuric acid +is_a: CHEBI:38779 ! 1,3,5-triazinanes +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:17697 +name: N-acetylserotonin +is_a: CHEBI:134175 ! N-acylserotonin +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:140489 ! tropomyosin-related kinase B receptor agonist +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17698 +name: chloramphenicol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37622 ! carboxamide +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17699 +name: 16-hydroxytabersonine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid + +[Term] +id: CHEBI:17700 +name: undecan-2-one +is_a: CHEBI:18044 ! dialkyl ketone +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:33288 ! rodenticide +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17701 +name: benzenediol +is_a: CHEBI:33570 ! benzenediols + +[Term] +id: CHEBI:17702 +name: D-apiitol +is_a: CHEBI:48310 ! apiitol + +[Term] +id: CHEBI:17703 +name: 26-hydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor + +[Term] +id: CHEBI:17704 +name: aspulvinone E +is_a: CHEBI:22669 ! aspulvinone + +[Term] +id: CHEBI:17705 +name: N(2)-succinyl-L-arginine +is_a: CHEBI:21645 ! N-acyl-L-arginine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17706 +name: Renilla luciferyl sulfate +is_a: CHEBI:37839 ! heterocyclyl sulfate + +[Term] +id: CHEBI:17707 +name: glucuronoxylan D-glucuronate +is_a: CHEBI:33903 ! glucuronates + +[Term] +id: CHEBI:17708 +name: 1,6-dihydroxycyclohexa-2,4-dienecarboxylate +is_a: CHEBI:23466 ! cyclohexadienecarboxylate + +[Term] +id: CHEBI:17709 +name: 5'-adenylyl sulfate +is_a: CHEBI:16826 ! acyl monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:37875 ! acyl sulfate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17710 +name: (R)-mevalonic acid +is_a: CHEBI:25351 ! mevalonic acid + +[Term] +id: CHEBI:17711 +name: nocardicin A +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:25572 ! nocardicin +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:84133 ! D-serine derivative + +[Term] +id: CHEBI:17712 +name: 9H-xanthine +is_a: CHEBI:15318 ! xanthine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17713 +name: 2'-deoxyadenosine 5'-monophosphate +is_a: CHEBI:19237 ! 2'-deoxyadenosine 5'-phosphate +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17715 +name: quinoline-2,8-diol +is_a: CHEBI:26507 ! dihydroxyquinoline + +[Term] +id: CHEBI:17716 +name: lactose +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17717 +name: sulfoacetaldehyde +is_a: CHEBI:33551 ! organosulfonic acid +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde + +[Term] +id: CHEBI:17719 +name: beta-D-glucose 6-phosphate +is_a: CHEBI:4170 ! D-glucopyranose 6-phosphate +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17720 +name: 2,3-bisphospho-D-glyceric acid +is_a: CHEBI:28907 ! 2,3-bisphosphoglyceric acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:17721 +name: (S,S,S)-nicotianamine +is_a: CHEBI:25520 ! nicotianamine +relationship: has_role CHEBI:35457 ! EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17723 +name: beta-D-galactosyl-1,3-(N-acetyl-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl group +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group + +[Term] +id: CHEBI:17724 +name: N,N-dimethylglycine +is_a: CHEBI:21760 ! N-methyl-amino acid +is_a: CHEBI:21766 ! N-methylglycines +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:17725 +name: alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:17726 +name: [Glu(-Cys)]n-Gly +is_a: CHEBI:60027 ! polymer + +[Term] +id: CHEBI:17727 +name: phorbol 13-butanoate +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:37532 ! phorbol ester +is_a: CHEBI:50477 ! butyrate ester + +[Term] +id: CHEBI:17728 +name: S-methyl-L-methionine +is_a: CHEBI:26830 ! sulfonium compound +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17729 +name: (S)-norcoclaurine +is_a: CHEBI:25591 ! norcoclaurine + +[Term] +id: CHEBI:17730 +name: quercetin 3-sulfate +is_a: CHEBI:26482 ! quercetin sulfate +is_a: CHEBI:38684 ! tetrahydroxyflavone + +[Term] +id: CHEBI:17733 +name: aldehydo-D-galactose 6-phosphate +is_a: CHEBI:12937 ! D-galactose 6-phosphate +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17734 +name: alpha-cyclopiazonic acid +is_a: CHEBI:12336 ! alpha-cyclopiazonic acids + +[Term] +id: CHEBI:17735 +name: N,N-dimethylaniline N-oxide +is_a: CHEBI:16269 ! N,N-dimethylaniline + +[Term] +id: CHEBI:17736 +name: S-(4-bromophenyl)-L-cysteine +is_a: CHEBI:22930 ! bromoamino acid +is_a: CHEBI:27532 ! L-cysteine thioether + +[Term] +id: CHEBI:17737 +name: desmosterol +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17738 +name: N-methyl-2-oxoglutaramate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:1774 +name: (E)-4-(trimethylammonio)but-2-enoic acid +is_a: CHEBI:48867 ! 4-(trimethylammonio)but-2-enoic acid + +[Term] +id: CHEBI:17740 +name: 3-oxoalanine +is_a: CHEBI:22278 ! alanine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:17741 +name: N,N-dimethylformamide +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:24079 ! formamides +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:50908 ! hepatotoxic agent + +[Term] +id: CHEBI:17742 +name: 4-hydroxy-2-oxoglutarate(2-) +is_a: CHEBI:36147 ! oxo dicarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17745 +name: coniferol +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:26004 ! phenylpropanoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:64477 ! monolignol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17746 +name: D-xylonate +is_a: CHEBI:27345 ! xylonate + +[Term] +id: CHEBI:17747 +name: bis(2-ethylhexyl) phthalate +is_a: CHEBI:35484 ! phthalate ester +is_a: CHEBI:51307 ! diester +relationship: has_role CHEBI:68494 ! apoptosis inhibitor +relationship: has_role CHEBI:77326 ! androstane receptor agonist +relationship: has_role CHEBI:79056 ! plasticiser + +[Term] +id: CHEBI:17748 +name: thymidine +is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17750 +name: glycine betaine +is_a: CHEBI:22860 ! amino-acid betaine +is_a: CHEBI:24373 ! glycine derivative +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17751 +name: dihydrostreptomycin 3'alpha,6-bisphosphate +is_a: CHEBI:26787 ! streptomycin phosphate + +[Term] +id: CHEBI:17752 +name: N(6)-acetyl-L-lysine +is_a: CHEBI:16232 ! N(6)-acyl-L-lysine +is_a: CHEBI:22193 ! acetyl-L-lysine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17754 +name: glycerol +is_a: CHEBI:17522 ! alditol +is_a: CHEBI:27136 ! triol +relationship: has_role CHEBI:25728 ! osmolyte +relationship: has_role CHEBI:27780 ! detergent +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17755 +name: cystathionine +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:23505 ! cystathionines +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17756 +name: (S)-mandelate +is_a: CHEBI:25147 ! mandelate + +[Term] +id: CHEBI:17757 +name: plastoquinone +is_a: CHEBI:35795 ! polyprenylbenzoquinone + +[Term] +id: CHEBI:17759 +name: cholesta-5,7-dien-3beta-ol +is_a: CHEBI:138131 ! Delta(5),Delta(7)-sterol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17760 +name: methyl sulfate +is_a: CHEBI:29281 ! alkyl sulfate +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:17761 +name: ceramide +is_a: CHEBI:26739 ! sphingolipid +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:17762 +name: 5alpha-cholestan-3-one +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:17763 +name: 4-methylumbelliferyl acetate +is_a: CHEBI:23403 ! coumarins +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17764 +name: 2-C-methyl-D-erythritol 4-(dihydrogen phosphate) +is_a: CHEBI:26980 ! tetritol phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17766 +name: cyclohexane-1,3-dione +is_a: CHEBI:23478 ! cyclohexanedione +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:17767 +name: D-mannonate +is_a: CHEBI:33526 ! mannonate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17768 +name: N-acetylputrescine +is_a: CHEBI:26406 ! N-substituted putrescine +is_a: CHEBI:35414 ! N-monoacetylalkane-alpha,omega-diamine +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17769 +name: 4-aminobutanal +is_a: CHEBI:22497 ! aminobutanal +is_a: CHEBI:27390 ! omega-aminoaldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17770 +name: 1-hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:37483 ! monohydroxyanthraquinone +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:17771 +name: trans-urocanate +is_a: CHEBI:27247 ! urocanate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17772 +name: (S)-tetrahydrocolumbamine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:17773 +name: D-ribonate +is_a: CHEBI:33527 ! ribonate + +[Term] +id: CHEBI:17774 +name: pimelate(1-) +is_a: CHEBI:133773 ! pimelate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17775 +name: 7,9-dihydro-1H-purine-2,6,8(3H)-trione +is_a: CHEBI:27226 ! uric acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17778 +name: 2-hydroxy-3-oxosuccinic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid + +[Term] +id: CHEBI:17780 +name: 5-hydroxy-L-tryptophan +is_a: CHEBI:28171 ! 5-hydroxytryptophan +is_a: CHEBI:47995 ! hydroxy-L-tryptophan +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17781 +name: lumichrome +is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17782 +name: 5-dehydro-4-deoxy-D-glucuronic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24592 ! hexuronic acid + +[Term] +id: CHEBI:17784 +name: 2-amino-2-deoxy-D-gluconic acid +is_a: CHEBI:33772 ! gluconic acid derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:17786 +name: N-acetyl-L-leucine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:25018 ! L-leucine derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17789 +name: dihydrochelirubine +is_a: CHEBI:38517 ! benzophenanthridine alkaloid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17790 +name: methanol +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:50584 ! alkyl alcohol +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:33292 ! fuel +relationship: has_role CHEBI:48360 ! amphiprotic solvent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17791 +name: obtusifoliol +is_a: CHEBI:138029 ! 14alpha-methyl steroid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17792 +name: organic halide +is_a: CHEBI:37578 ! halide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17793 +name: calycosin +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:55465 ! 7-hydroxyisoflavones +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17794 +name: 3-phospho-D-glyceric acid +is_a: CHEBI:17050 ! 3-phosphoglyceric acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17795 +name: dihydroxyfumarate(2-) +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:17796 +name: L-idonate +is_a: CHEBI:33529 ! idonate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17797 +name: aldehydo-D-ribose 5-phosphate +is_a: CHEBI:78679 ! D-ribose 5-phosphate + +[Term] +id: CHEBI:17798 +name: L-gamma-glutamyl phosphate +is_a: CHEBI:50164 ! gamma-glutamyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17799 +name: 2-methyl-DL-serine +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:134205 ! 2-methyl-D-serine +relationship: has_part CHEBI:74819 ! 2-methyl-L-serine + +[Term] +id: CHEBI:17800 +name: O-phosphoviomycin +is_a: CHEBI:37694 ! O-phospho peptide + +[Term] +id: CHEBI:17801 +name: 4-hydroxy-4-methyl-2-oxoglutaric acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:17802 +name: pseudouridine +is_a: CHEBI:26366 ! pseudouridines +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17803 +name: dehydro-D-arabinono-1,4-lactone +is_a: CHEBI:37581 ! gamma-lactone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:17804 +name: dyspropterin +is_a: CHEBI:22881 ! biopterins +is_a: CHEBI:30436 ! tetrahydropterin +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17805 +name: D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17806 +name: N-acetyl-beta-D-galactosaminyl group +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group + +[Term] +id: CHEBI:17807 +name: 3-(3,4-dihydroxyphenyl)lactic acid +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:17808 +name: IDP +is_a: CHEBI:24843 ! inosine phosphate +is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17810 +name: 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:68489 ! alkyl,acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:76170 ! olefinic phospholipid +is_a: CHEBI:78188 ! 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine + +[Term] +id: CHEBI:17811 +name: 2,4,6/3,5-pentahydroxycyclohexanone +is_a: CHEBI:25881 ! pentahydroxycyclohexanone + +[Term] +id: CHEBI:17813 +name: 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol +is_a: CHEBI:138031 ! Delta(14) steroid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17814 +name: salicin +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:28749 ! aryl beta-D-glucoside +is_a: CHEBI:33857 ! aromatic primary alcohol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:35493 ! antipyretic +relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor +relationship: has_role CHEBI:50266 ! prodrug + +[Term] +id: CHEBI:17815 +name: 1,2-diacyl-sn-glycerol +is_a: CHEBI:49172 ! 1,2-diglyceride + +[Term] +id: CHEBI:17816 +name: 1D-myo-inositol 1,4-bisphosphate +is_a: CHEBI:25443 ! myo-inositol bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17817 +name: CDP-4-dehydro-3,6-dideoxy-D-glucose +is_a: CHEBI:20873 ! CDP-sugar + +[Term] +id: CHEBI:17818 +name: N-feruloyltyramine +is_a: CHEBI:27175 ! tyramines +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17820 +name: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid +is_a: CHEBI:33823 ! enol +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:76224 ! aromatic ketone +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:17821 +name: thymine +is_a: CHEBI:26432 ! pyrimidine nucleobase +is_a: CHEBI:38337 ! pyrimidone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17822 +name: serine +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:24712 ! hydroxymethyl group +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17823 +name: calcitriol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:24621 ! hormone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33229 ! vitamin +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38807 ! calcium channel agonist +relationship: has_role CHEBI:38808 ! calcium channel modulator +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:50748 ! antipsoriatic +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17824 +name: propan-2-ol +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:48356 ! protic solvent + +[Term] +id: CHEBI:17825 +name: 7-methylguanosine 5'-phosphate(1+) +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:17826 +name: methylarsonous acid +is_a: CHEBI:50017 ! arsonous acids +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:64909 ! poison +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17827 +name: methyl-CoM +is_a: CHEBI:23356 ! S-substituted coenzyme M + +[Term] +id: CHEBI:17828 +name: 2,3-dihydroxyindole +is_a: CHEBI:23781 ! dihydroxyindole + +[Term] +id: CHEBI:17830 +name: 7,8-diaminononanoate +is_a: CHEBI:37022 ! amino-acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:17831 +name: heparosan-N-sulfate D-glucuronic acid +is_a: CHEBI:33886 ! glucuronic acids +is_a: CHEBI:35721 ! heparan sulfates +is_a: CHEBI:47952 ! D-glucopyranuronic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17832 +name: 1-O-(alk-1-enyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:64590 ! monoalkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:76170 ! olefinic phospholipid + +[Term] +id: CHEBI:17833 +name: gentamycin +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:22507 ! aminoglycoside antibiotic + +[Term] +id: CHEBI:17835 +name: 2-phospho-D-glyceric acid +is_a: CHEBI:24344 ! 2-phosphoglyceric acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17836 +name: 4-aminobenzoate +is_a: CHEBI:22494 ! aminobenzoate +is_a: CHEBI:63473 ! aromatic amino-acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17837 +name: D-tagatose 6-phosphate +is_a: CHEBI:49094 ! tagatose 6-phosphate + +[Term] +id: CHEBI:17838 +name: (3S)-3-hydroxy-L-aspartate(2-) +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:17839 +name: 7,8-dihydropteroate +is_a: CHEBI:38796 ! pteroates +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:1784 +name: biphenyl-4-amine +is_a: CHEBI:22496 ! aminobiphenyl +relationship: has_role CHEBI:50903 ! carcinogenic agent + +[Term] +id: CHEBI:17840 +name: indoxyl +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:84729 ! hydroxyindoles + +[Term] +id: CHEBI:17842 +name: trypanothione +is_a: CHEBI:24337 ! glutathione derivative + +[Term] +id: CHEBI:17843 +name: transfer RNA +is_a: CHEBI:33697 ! ribonucleic acid + +[Term] +id: CHEBI:17844 +name: 2-amino-3-oxobutanoic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:17845 +name: 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:17846 +name: (S)-naringenin +is_a: CHEBI:140377 ! (2S)-flavan-4-one +is_a: CHEBI:50202 ! naringenin +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77035 ! expectorant + +[Term] +id: CHEBI:17847 +name: p-cresol +is_a: CHEBI:25399 ! cresol +relationship: has_role CHEBI:64584 ! uremic toxin +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17848 +name: 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:16110 ! 1,2-diacyl-sn-glycero-3-phosphocholine(1+) + +[Term] +id: CHEBI:17849 +name: glucarolactone +is_a: CHEBI:37426 ! aldarolactone + +[Term] +id: CHEBI:17850 +name: beta-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-(beta-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl group +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group + +[Term] +id: CHEBI:17852 +name: homocitric acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:17853 +name: S-acetylcysteamine +is_a: CHEBI:51277 ! thioester + +[Term] +id: CHEBI:17854 +name: cyclohexanone +is_a: CHEBI:23482 ! cyclohexanones +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17855 +name: triglyceride +is_a: CHEBI:47778 ! glyceride + +[Term] +id: CHEBI:17856 +name: glucuronoxylan 4-O-methyl-D-glucuronate +is_a: CHEBI:33903 ! glucuronates + +[Term] +id: CHEBI:17857 +name: 4-methyl-5-(2-phosphonooxyethyl)thiazole +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:38418 ! 1,3-thiazoles +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17858 +name: glutathione disulfide +is_a: CHEBI:24337 ! glutathione derivative +is_a: CHEBI:35489 ! organic disulfide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17859 +name: glutaric acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:17860 +name: 6-phospho-2-dehydro-3-deoxy-D-galactonic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17861 +name: 4-chlorobenzoate +is_a: CHEBI:23133 ! chlorobenzoate +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:17862 +name: 3-dehydrosphinganine +is_a: CHEBI:46966 ! 2-amino-1-hydroxyoctadecan-3-one +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17863 +name: cellobiono-1,5-lactone +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:17864 +name: taurolithocholic acid sulfate +is_a: CHEBI:16158 ! steroid sulfate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17865 +name: 4-methyl-2-oxopentanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17866 +name: digallate +is_a: CHEBI:36085 ! trihydroxybenzoate + +[Term] +id: CHEBI:17867 +name: UDP-2-acetamido-4-dehydro-2,6-dideoxy-beta-D-glucose +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:17868 +name: 1-palmitoylglycerone 3-phosphate +is_a: CHEBI:15835 ! 1-acylglycerone 3-phosphate + +[Term] +id: CHEBI:17869 +name: 6-hydroxyhexanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:35971 ! 6-hydroxy monocarboxylic acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:17871 +name: 3-hydroxypropanal +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde + +[Term] +id: CHEBI:17872 +name: 2-oxo-2H-pyran-4,6-dicarboxylic acid +is_a: CHEBI:36197 ! pyrandicarboxylic acid + +[Term] +id: CHEBI:17874 +name: dihydrozeatin +is_a: CHEBI:17524 ! 6-alkylaminopurine +relationship: has_role CHEBI:23530 ! cytokinin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17875 +name: quercetin 3,3'-bissulfate +is_a: CHEBI:26481 ! quercetin bissulfate +is_a: CHEBI:27116 ! trihydroxyflavone + +[Term] +id: CHEBI:17876 +name: rifamycin B +is_a: CHEBI:26580 ! rifamycins +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:47622 ! acetate ester + +[Term] +id: CHEBI:17877 +name: FADH2 +is_a: CHEBI:24040 ! flavin adenine dinucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17878 +name: 2-hydroxycyclohexan-1-one +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:24693 ! hydroxycyclohexanone + +[Term] +id: CHEBI:17879 +name: 4-hydroxybenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17881 +name: 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one +is_a: CHEBI:26414 ! pyridazinone +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:17882 +name: UDP-N-acetylmuramic acid +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:17883 +name: hydrogen chloride +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18140 ! hydrogen halide +is_a: CHEBI:23117 ! chlorine molecular entity +is_a: CHEBI:37176 ! mononuclear parent hydride +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17884 +name: N(2)-phenylacetyl-L-glutamine +is_a: CHEBI:8087 ! N(2)-phenylacetylglutamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17885 +name: CDP-glycerol +is_a: CHEBI:35240 ! nucleotide-alditol + +[Term] +id: CHEBI:17886 +name: D-tagaturonate +is_a: CHEBI:33900 ! tagaturonate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17888 +name: 6-phospho-beta-D-glucosyl-(1->4)-D-glucose +is_a: CHEBI:23843 ! disaccharide phosphate + +[Term] +id: CHEBI:17889 +name: isopyridoxal +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38187 ! pyridinecarbaldehyde +is_a: CHEBI:38196 ! hydroxymethylpyridine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17890 +name: tryptophol +is_a: CHEBI:38467 ! indolyl alcohol +relationship: has_role CHEBI:22676 ! auxin +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17891 +name: donor +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:17892 +name: L-rhamnulose 1-phosphate +is_a: CHEBI:24964 ! deoxyketohexose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17893 +name: (2R)-2-hydroxy monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:17895 +name: L-tyrosine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:18186 ! tyrosine +is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:64416 ! EC 1.3.1.43 (arogenate dehydrogenase) inhibitor +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:17897 +name: L-rhamnulose +is_a: CHEBI:24965 ! deoxyketohexose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17898 +name: all-trans-retinal +is_a: CHEBI:15035 ! retinal +relationship: has_role CHEBI:67195 ! gap junctional intercellular communication inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17899 +name: 7alpha-hydroxycholest-4-en-3-one +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17901 +name: 6-O-acetyl-D-glucose +is_a: CHEBI:59475 ! 6-O-acyl-D-glucose + +[Term] +id: CHEBI:17902 +name: N-carbamoylputrescine +is_a: CHEBI:26406 ! N-substituted putrescine + +[Term] +id: CHEBI:17903 +name: 4-(dimethylamino)azobenzene +is_a: CHEBI:22682 ! azobenzenes + +[Term] +id: CHEBI:17905 +name: coenzyme M +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:33551 ! organosulfonic acid +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:17906 +name: aminoacetone +is_a: CHEBI:26292 ! propanones +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17907 +name: styrene oxide +is_a: CHEBI:32955 ! epoxide +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:17913 +name: streptidine 6-phosphate +is_a: CHEBI:26613 ! scyllo-inositol phosphate + +[Term] +id: CHEBI:17915 +name: hexano-6-lactone +is_a: CHEBI:50239 ! epsilon-lactone + +[Term] +id: CHEBI:17917 +name: L-allysine +is_a: CHEBI:17027 ! allysine +is_a: CHEBI:22490 ! aminoadipate semialdehyde +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17919 +name: 3-mercapto-2-mercaptomethylpropanoic acid +is_a: CHEBI:23853 ! dithiol +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid + +[Term] +id: CHEBI:17920 +name: 3-methyleneoxindole +is_a: CHEBI:38459 ! oxindoles + +[Term] +id: CHEBI:17922 +name: fluoren-9-one +is_a: CHEBI:24057 ! fluoren-9-ones +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite + +[Term] +id: CHEBI:17924 +name: D-glucitol +is_a: CHEBI:30911 ! glucitol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50503 ! laxative +relationship: has_role CHEBI:50505 ! sweetening agent +relationship: has_role CHEBI:75325 ! cathartic +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:77969 ! food humectant + +[Term] +id: CHEBI:17925 +name: alpha-D-glucose +is_a: CHEBI:4167 ! D-glucopyranose +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17926 +name: hydrogenobyrinic acid +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:17927 +name: N(1)-acetylspermidine +is_a: CHEBI:22204 ! acetylspermidine +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17928 +name: 1-amino-1-deoxy-scyllo-inositol 4-phosphate +is_a: CHEBI:26613 ! scyllo-inositol phosphate + +[Term] +id: CHEBI:17929 +name: N(omega),N(omega)-dimethyl-L-arginine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83965 ! L-arginine derivative +is_a: CHEBI:86468 ! dimethylarginine +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor + +[Term] +id: CHEBI:17931 +name: N-hydroxy-2-acetamidofluorene +is_a: CHEBI:19432 ! 2-acetamidofluorenes + +[Term] +id: CHEBI:17933 +name: calcidiol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33229 ! vitamin +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17934 +name: pregnan-21-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:36886 ! 21-oxo steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:17935 +name: octanal +is_a: CHEBI:12834 ! n-alkanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:17936 +name: 2-acyl-sn-glycero-3-phosphate +is_a: CHEBI:17088 ! monoacyl-sn-glycerol 3-phosphate +is_a: CHEBI:76631 ! 1-lysophosphatidic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17937 +name: L-rhamnono-1,4-lactone +is_a: CHEBI:26545 ! rhamnonolactone + +[Term] +id: CHEBI:17938 +name: 5alpha-ergosta-7,22-diene-3beta,5-diol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:38194 ! 5alpha-hydroxy steroid + +[Term] +id: CHEBI:17939 +name: puromycin +is_a: CHEBI:26404 ! puromycins +relationship: has_role CHEBI:25605 ! nucleoside antibiotic +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:76891 ! EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor +relationship: has_role CHEBI:76893 ! EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor + +[Term] +id: CHEBI:17941 +name: diisopropyl fluorophosphate +is_a: CHEBI:16648 ! dialkyl phosphate + +[Term] +id: CHEBI:17942 +name: D-allose 6-phosphate +is_a: CHEBI:20902 ! allose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17943 +name: (S)-2-O-sulfolactic acid +is_a: CHEBI:48289 ! 2-O-sulfolactic acid + +[Term] +id: CHEBI:17945 +name: N-cyclohexylformamide +is_a: CHEBI:24079 ! formamides +is_a: CHEBI:33654 ! alicyclic compound +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:17947 +name: 3-dehydroquinic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17948 +name: (+)-taxifolin +is_a: CHEBI:38747 ! taxifolin +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:17950 +name: beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine +is_a: CHEBI:63415 ! glycodiaosylceramide +is_a: CHEBI:79208 ! beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17952 +name: flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]s +is_a: CHEBI:26548 ! rhamnosylglucoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:17953 +name: xanthopterin-B2 +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:26373 ! pteridines +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:17954 +name: 1-alpha-D-galactosyl-sn-glycerol 3-phosphate +is_a: CHEBI:24167 ! galactosylglycerol phosphate + +[Term] +id: CHEBI:17955 +name: 2'-deoxyribonucleoside diphosphate +is_a: CHEBI:16862 ! nucleoside diphosphate + +[Term] +id: CHEBI:17957 +name: 5-(2-hydroxyethyl)-4-methylthiazole +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:38418 ! 1,3-thiazoles +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17958 +name: alkyl cinnamate +is_a: CHEBI:36087 ! cinnamate ester + +[Term] +id: CHEBI:17959 +name: oxidized Renilla luciferin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38314 ! pyrazines +is_a: CHEBI:62733 ! aromatic amide +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:17960 +name: 3-oxopropanoic acid +is_a: CHEBI:26643 ! aldehydic acid + +[Term] +id: CHEBI:17961 +name: farnesyl triphosphate +is_a: CHEBI:26203 ! polyprenol triphosphate + +[Term] +id: CHEBI:17962 +name: CDP-diacylglycerol +is_a: CHEBI:35774 ! CDP-glycerols +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17964 +name: pipecolic acid +is_a: CHEBI:26148 ! piperidinemonocarboxylic acid + +[Term] +id: CHEBI:17965 +name: isoorientin +is_a: CHEBI:38684 ! tetrahydroxyflavone +is_a: CHEBI:83280 ! flavone C-glycoside +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:48578 ! radical scavenger + +[Term] +id: CHEBI:17966 +name: cyclohexyl isocyanide +is_a: CHEBI:35353 ! isocyanide + +[Term] +id: CHEBI:17967 +name: urethane +is_a: CHEBI:23003 ! carbamate ester +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:17968 +name: butyrate +is_a: CHEBI:78115 ! fatty acid anion 4:0 +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17969 +name: sedoheptulose 1,7-bisphosphate +is_a: CHEBI:35133 ! ketoheptose phosphate +is_a: CHEBI:63403 ! sedoheptulose derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17970 +name: N-acyl-D-mannosaminolactone +is_a: CHEBI:25167 ! mannosaminolactone + +[Term] +id: CHEBI:17972 +name: ribonucleoside triphosphate +is_a: CHEBI:17326 ! nucleoside triphosphate + +[Term] +id: CHEBI:17973 +name: alpha-D-galactose 1-phosphate +is_a: CHEBI:16326 ! alpha-D-hexose 1-phosphate +is_a: CHEBI:37480 ! D-galactopyranose 1-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17975 +name: 5,10-(methanylylidene)tetrahydromethanopterin +is_a: CHEBI:26914 ! tetrahydromethanopterin + +[Term] +id: CHEBI:17976 +name: ubiquinol +is_a: CHEBI:24646 ! hydroquinones +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17977 +name: 1,4-benzosemiquinone +is_a: CHEBI:134225 ! 1,4-benzosemiquinones +is_a: CHEBI:22730 ! benzosemiquinones + +[Term] +id: CHEBI:17978 +name: 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:38182 ! monohydroxypyridine + +[Term] +id: CHEBI:17979 +name: aldehydo-L-xylose +is_a: CHEBI:65328 ! L-xylose + +[Term] +id: CHEBI:17980 +name: 3'-phospho-5'-adenylyl sulfate +is_a: CHEBI:22251 ! adenosine bisphosphate +is_a: CHEBI:37875 ! acyl sulfate +is_a: CHEBI:64620 ! purine ribonucleoside bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17981 +name: O-acetyl-L-serine +is_a: CHEBI:22194 ! acetyl-L-serine +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:17982 +name: 6-acetamido-3-oxohexanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:17983 +name: UDP-L-arabinose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:17984 +name: acyl-CoA +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:37240 ! adenosine 3',5'-bisphosphate +is_a: CHEBI:51277 ! thioester +relationship: has_role CHEBI:62049 ! acyl donor + +[Term] +id: CHEBI:17985 +name: adenosine 3',5'-bismonophosphate +is_a: CHEBI:22251 ! adenosine bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:17987 +name: benzyl alcohol +is_a: CHEBI:22743 ! benzyl alcohols +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:48318 ! fragrance + +[Term] +id: CHEBI:17989 +name: daphnin +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:17990 +name: 1-O-(indol-3-ylacetyl)-beta-D-glucose +is_a: CHEBI:24821 ! indolyl carbohydrate +is_a: CHEBI:64633 ! indoleacetic acid ester conjugate + +[Term] +id: CHEBI:17992 +name: sucrose +is_a: CHEBI:24407 ! glycosyl glycoside +relationship: has_role CHEBI:25728 ! osmolyte +relationship: has_role CHEBI:50505 ! sweetening agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:17993 +name: 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine +is_a: CHEBI:50334 ! pyridinium ion + +[Term] +id: CHEBI:17994 +name: D-ribose 1,5-bisphosphate +is_a: CHEBI:35158 ! ribose bisphosphate + +[Term] +id: CHEBI:17996 +name: chloride +is_a: CHEBI:16042 ! halide anion +is_a: CHEBI:33432 ! monoatomic chlorine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:17997 +name: dinitrogen +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:25362 ! elemental molecule +is_a: CHEBI:33266 ! diatomic nitrogen +relationship: has_role CHEBI:77974 ! food packaging gas +relationship: has_role CHEBI:78017 ! food propellant + +[Term] +id: CHEBI:17998 +name: 4-methylpentanal +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:1800 +name: 4-chloro-2-methylphenol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:18000 +name: aralkylamine +is_a: CHEBI:22331 ! alkylamines +is_a: CHEBI:64365 ! aralkylamino compound + +[Term] +id: CHEBI:18002 +name: (-)-secologanin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26407 ! pyrans +is_a: CHEBI:50274 ! secoiridoid glycoside +is_a: CHEBI:51702 ! enoate ester +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18003 +name: 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid +is_a: CHEBI:23022 ! carboxy-2-hydroxymuconate semialdehyde + +[Term] +id: CHEBI:18004 +name: D-hamamelose +is_a: CHEBI:33916 ! aldopentose + +[Term] +id: CHEBI:18005 +name: keto-phenylpyruvate +is_a: CHEBI:26008 ! phenylpyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:75050 ! chromogenic compound +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18007 +name: 3-[hydroxy(oxido)phosphoranyl]pyruvic acid +is_a: CHEBI:26044 ! phosphinic acids + +[Term] +id: CHEBI:18009 +name: NADP(+) +is_a: CHEBI:13390 ! NAD(P)(+) +is_a: CHEBI:25523 ! NADP +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:18010 +name: 3',4',5-trihydroxy-3,7-dimethoxyflavone +is_a: CHEBI:23798 ! dimethoxyflavone +is_a: CHEBI:27116 ! trihydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50781 ! EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor + +[Term] +id: CHEBI:18011 +name: androstane-3alpha,17beta-diol +is_a: CHEBI:27727 ! androstane-3,17-diol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid + +[Term] +id: CHEBI:18012 +name: fumaric acid +is_a: CHEBI:22958 ! butenedioic acid +relationship: has_role CHEBI:64049 ! food acidity regulator +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:18013 +name: 4-O-feruloyl-D-quinic acid +is_a: CHEBI:26493 ! quinic acid +is_a: CHEBI:51702 ! enoate ester + +[Term] +id: CHEBI:18014 +name: CMP-3-deoxy-alpha-D-manno-octulosonic acid +is_a: CHEBI:20878 ! CMP-sugar + +[Term] +id: CHEBI:18015 +name: oxidized Latia luciferin +is_a: CHEBI:17269 ! Latia luciferin +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:18016 +name: 3',4',5-trihydroxy-3,6,7-trimethoxyflavone +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:27124 ! trimethoxyflavone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:18019 +name: L-lysine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:22658 ! aspartate family amino acid +is_a: CHEBI:25094 ! lysine +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:18020 +name: 4-trimethylammoniobutanal +is_a: CHEBI:22939 ! butanals +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18021 +name: phosphoenolpyruvate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:18022 +name: thiocyanate +is_a: CHEBI:26835 ! sulfur molecular entity +is_a: CHEBI:36828 ! pseudohalide anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18023 +name: sirohydrochlorin +is_a: CHEBI:52582 ! isobacteriochlorins +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18024 +name: D-galacturonic acid +is_a: CHEBI:33830 ! galacturonic acid + +[Term] +id: CHEBI:18025 +name: 2-hydroxypropyl dihydrogen phosphate +is_a: CHEBI:36949 ! hydroxyalkyl phosphate + +[Term] +id: CHEBI:18026 +name: 2,3-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:18027 +name: (-)-aristolochene +is_a: CHEBI:36529 ! aristolochene + +[Term] +id: CHEBI:18029 +name: dihydromacarpine +is_a: CHEBI:38517 ! benzophenanthridine alkaloid + +[Term] +id: CHEBI:18030 +name: quercetin 3,4'-bissulfate +is_a: CHEBI:26481 ! quercetin bissulfate +is_a: CHEBI:27116 ! trihydroxyflavone + +[Term] +id: CHEBI:18032 +name: 4-amino-2-methyl-5-phosphooxymethylpyrimidine +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:38338 ! aminopyrimidine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18033 +name: 2-formylphenylformamide +is_a: CHEBI:22698 ! benzaldehydes + +[Term] +id: CHEBI:18034 +name: 4-fumarylacetoacetate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18035 +name: diglyceride +is_a: CHEBI:47778 ! glyceride +is_a: CHEBI:76578 ! disubstituted glycerol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18036 +name: triphosphate(5-) +is_a: CHEBI:15266 ! triphosphate ion +is_a: CHEBI:33461 ! phosphorus oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18037 +name: 3-oxolauric acid +is_a: CHEBI:134416 ! 3-oxo fatty acid + +[Term] +id: CHEBI:18038 +name: GDP-L-galactose +is_a: CHEBI:35245 ! GDP-galactose + +[Term] +id: CHEBI:18039 +name: N-phospho-L-lombricine +is_a: CHEBI:17102 ! phosphoramide + +[Term] +id: CHEBI:18040 +name: erythro-5-hydroxy-L-lysine +is_a: CHEBI:24661 ! hydroxy-L-lysine +is_a: CHEBI:60175 ! 5-hydroxylysine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18041 +name: (S)-lactaldehyde +is_a: CHEBI:18419 ! lactaldehyde +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18042 +name: (S)-2,3-dihydrodipicolinic acid +is_a: CHEBI:48052 ! 2,3-dihydrodipicolinic acid + +[Term] +id: CHEBI:18043 +name: ricinine +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:26416 ! pyridine alkaloid +is_a: CHEBI:38183 ! pyridone + +[Term] +id: CHEBI:18044 +name: dialkyl ketone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:18046 +name: 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde +is_a: CHEBI:23022 ! carboxy-2-hydroxymuconate semialdehyde + +[Term] +id: CHEBI:18047 +name: dihydrolipoic acid +is_a: CHEBI:59913 ! thio-fatty acid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18048 +name: DIMBOA +is_a: CHEBI:23445 ! cyclic hydroxamic acid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:46969 ! benzoxazine +relationship: has_role CHEBI:62215 ! allelochemical +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18049 +name: piperidine +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:32863 ! secondary amine +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:37949 ! azacycloalkane +relationship: has_role CHEBI:22695 ! base +relationship: has_role CHEBI:33893 ! reagent +relationship: has_role CHEBI:35223 ! catalyst +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:48356 ! protic solvent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18050 +name: L-glutamine +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:24318 ! glutamine family amino acid +is_a: CHEBI:28300 ! glutamine +is_a: CHEBI:83813 ! proteinogenic amino acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18051 +name: L-aspartic 4-semialdehyde +is_a: CHEBI:26643 ! aldehydic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:18052 +name: loganate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:18053 +name: 1-aminocyclopropanecarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:24002 ! ethylene releasers +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18054 +name: diphthine +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:18056 +name: N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:90400 ! alpha-D-GalNAc-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18057 +name: vellosimine +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38958 ! indole alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18058 +name: oxamic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18059 +name: lipid +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:18060 +name: 1-haloalkane +is_a: CHEBI:24469 ! haloalkane + +[Term] +id: CHEBI:18062 +name: 4-guanidinobutanamide +is_a: CHEBI:22965 ! butanamides +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:18063 +name: 2-O-acyl-3-O-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:141434 ! monoacyl-3-O-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:63425 ! galactosylglycerol derivative + +[Term] +id: CHEBI:18064 +name: 3-hydroxyisobutyric acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:18065 +name: deacetylcephalosporin C +is_a: CHEBI:47879 ! 3-hydroxymethylcephalosporin + +[Term] +id: CHEBI:18066 +name: UDP-D-glucose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:18067 +name: phylloquinone +is_a: CHEBI:26106 ! phylloquinones +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:33229 ! vitamin +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18070 +name: cytochrome c +is_a: CHEBI:4056 ! cytochrome +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18071 +name: (methylthio)acetate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:18072 +name: 5-hydroxyisouric acid +is_a: CHEBI:25810 ! oxopurine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18073 +name: xanthoaphin +is_a: CHEBI:51958 ! organic polycyclic compound +is_a: CHEBI:59772 ! hemiketal + +[Term] +id: CHEBI:18075 +name: dTDP +is_a: CHEBI:27001 ! thymidine phosphate +is_a: CHEBI:37037 ! pyrimidine 2'-deoxyribonucleoside 5'-diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18077 +name: dTTP +is_a: CHEBI:27001 ! thymidine phosphate +is_a: CHEBI:37043 ! pyrimidine 2'-deoxyribonucleoside 5'-triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18078 +name: 2-dehydro-3-deoxy-L-rhamnonic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:18080 +name: 5-oxo-2,5-dihydro-2-furylacetic acid +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid + +[Term] +id: CHEBI:18081 +name: 3-hexaprenyl-4,5-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18082 +name: 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose +is_a: CHEBI:24183 ! galloyl beta-D-glucose +is_a: CHEBI:37576 ! gallate ester + +[Term] +id: CHEBI:18083 +name: 1-methyladenine +is_a: CHEBI:25272 ! methyladenine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:18084 +name: testololactone +is_a: CHEBI:26616 ! seco-androstane +is_a: CHEBI:26766 ! steroid lactone +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:18085 +name: glycosaminoglycan +is_a: CHEBI:22506 ! aminoglycan + +[Term] +id: CHEBI:18086 +name: indol-3-ylacetaldehyde +is_a: CHEBI:24823 ! indoleacetaldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18087 +name: myo-inositol polyphosphate +is_a: CHEBI:25448 ! myo-inositol phosphate + +[Term] +id: CHEBI:18088 +name: formononetin +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:55465 ! 7-hydroxyisoflavones +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:18089 +name: N-benzoylglycine +is_a: CHEBI:16180 ! N-acylglycine +relationship: has_role CHEBI:64584 ! uremic toxin +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:18090 +name: 3-aminopropanal +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:27390 ! omega-aminoaldehyde + +[Term] +id: CHEBI:18091 +name: asparagusic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:38336 ! dithiolanecarboxylic acid +is_a: CHEBI:39192 ! dithiolanes + +[Term] +id: CHEBI:18092 +name: 8'-apo-beta-carotenol +is_a: CHEBI:36783 ! apo carotenoid triterpenoid + +[Term] +id: CHEBI:18093 +name: 17,21-dihydroxy-5beta-pregnane-3,11,20-trione +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:23736 ! 4,5-dihydrocortisone + +[Term] +id: CHEBI:18094 +name: 1,4-dihydroxy-2-naphthoic acid +is_a: CHEBI:23783 ! naphthalenediols +is_a: CHEBI:25483 ! naphthoic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:51475 ! naphthohydroquinone +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18095 +name: trans-4-hydroxy-L-proline +is_a: CHEBI:20392 ! 4-hydroxyproline +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18098 +name: CMP-N-glycoloyl-beta-neuraminic acid +is_a: CHEBI:16788 ! CMP-N-acyl-beta-neuraminic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18099 +name: cyclohexanol +is_a: CHEBI:23480 ! cyclohexanols +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:46787 ! solvent + +[Term] +id: CHEBI:18100 +name: multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA + +[Term] +id: CHEBI:18101 +name: 4-hydroxyphenylacetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18102 +name: O-octanoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:73039 ! O-octanoylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18103 +name: L-tyrosine methyl ester 4-sulfate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:37862 ! O-sulfoamino acid + +[Term] +id: CHEBI:18104 +name: 2-dehydro-3-deoxy-D-fuconic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:18106 +name: deacetylipecoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:25248 ! methyl ester + +[Term] +id: CHEBI:18107 +name: xanthosine +is_a: CHEBI:142355 ! purines D-ribonucleoside +is_a: CHEBI:48136 ! xanthosines +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18110 +name: 3-phosphonatooxypyruvate(3-) +is_a: CHEBI:61693 ! carboxyalkyl phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18111 +name: ribosomal RNA +is_a: CHEBI:33697 ! ribonucleic acid + +[Term] +id: CHEBI:18112 +name: 2-aminophenol +is_a: CHEBI:28829 ! aminophenol +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:18113 +name: D-galactosyl-(1->3)-N-acetyl-beta-D-galactosamine +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:22484 ! galactosamine oligosaccharide + +[Term] +id: CHEBI:18115 +name: 4-hydroxymandelonitrile +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:18116 +name: pseudouridine 5'-phosphate +is_a: CHEBI:37040 ! C-nucleoside phosphate + +[Term] +id: CHEBI:18117 +name: 3-ADP-2-phosphoglyceric acid +is_a: CHEBI:16515 ! 3-ADP-glyceric acid +is_a: CHEBI:63455 ! tetronic acid derivative + +[Term] +id: CHEBI:18118 +name: L-xylono-1,4-lactone +is_a: CHEBI:27347 ! xylonolactone + +[Term] +id: CHEBI:18119 +name: ethyl 3-oxohexanoate +is_a: CHEBI:78206 ! fatty acid ethyl ester + +[Term] +id: CHEBI:18120 +name: 5-aminopentanamide +is_a: CHEBI:29348 ! fatty amide + +[Term] +id: CHEBI:18123 +name: N-methylnicotinate +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:35285 ! iminium betaine +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:18124 +name: phosphonoacetaldehyde +is_a: CHEBI:26069 ! phosphonic acids +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18125 +name: trans-2-coumaric acid +is_a: CHEBI:18176 ! 2-coumaric acid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:18126 +name: S-acylglutathione +is_a: CHEBI:17021 ! S-substitued glutathione +is_a: CHEBI:22229 ! acylglutathione +is_a: CHEBI:51277 ! thioester + +[Term] +id: CHEBI:18127 +name: cadaverine +is_a: CHEBI:35411 ! alkane-alpha,omega-diamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:18128 +name: luteolin 7-O-beta-D-glucosiduronic acid +is_a: CHEBI:25091 ! luteolin O-glucuronoside +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:18129 +name: (S)-2-hydroxyoctadecanoic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:19660 ! 2-hydroxyoctadecanoic acid + +[Term] +id: CHEBI:18130 +name: (-)-5-oxo-1,2-campholide +is_a: CHEBI:66953 ! 5-oxo-1,2-campholide + +[Term] +id: CHEBI:18131 +name: licodione +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:71230 ! dihydrochalcones +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:18132 +name: phosphocholine +is_a: CHEBI:36700 ! phosphocholines +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59174 ! hapten +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18133 +name: hexose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:18134 +name: 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:47891 ! steroid acid + +[Term] +id: CHEBI:18135 +name: catechol +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:62215 ! allelochemical +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18136 +name: 3-(2,3-dihydroxyphenyl)propanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:18137 +name: heparan sulfate alpha-D-glucosaminide +is_a: CHEBI:24495 ! heparan alpha-D-glucosaminide +is_a: CHEBI:35721 ! heparan sulfates +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18138 +name: biuret +is_a: CHEBI:36954 ! condensed ureas + +[Term] +id: CHEBI:18139 +name: trimethylamine +is_a: CHEBI:25274 ! methylamines +is_a: CHEBI:32876 ! tertiary amine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18140 +name: hydrogen halide +is_a: CHEBI:33405 ! hydracid +relationship: has_role CHEBI:138103 ! inorganic acid + +[Term] +id: CHEBI:18142 +name: N(6')-acetylkanamycin B +is_a: CHEBI:28725 ! N(6')-acetylkanamycin + +[Term] +id: CHEBI:18144 +name: all-trans-nonaprenyl diphosphate +is_a: CHEBI:53044 ! nonaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate + +[Term] +id: CHEBI:18145 +name: (+)-alpha-tocopherol +is_a: CHEBI:22470 ! alpha-tocopherol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:33229 ! vitamin +relationship: has_role CHEBI:37700 ! EC 2.7.11.13 (protein kinase C) inhibitor +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:50855 ! antiatherogenic agent +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:18146 +name: (R)-canadine +is_a: CHEBI:22998 ! canadine + +[Term] +id: CHEBI:18147 +name: beta-maltose +is_a: CHEBI:17306 ! maltose + +[Term] +id: CHEBI:18148 +name: alpha-D-glucose 1,6-bisphosphate +is_a: CHEBI:17680 ! D-glucose 1,6-bisphosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18149 +name: aureusidin +is_a: CHEBI:85970 ! hydroxyaurone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18150 +name: 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18151 +name: menaquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:51475 ! naphthohydroquinone +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18152 +name: myricetin +is_a: CHEBI:24561 ! hexahydroxyflavone +is_a: CHEBI:52267 ! 7-hydroxyflavonol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:18153 +name: ethene +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:32878 ! alkene +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:18154 +name: polysaccharide +is_a: CHEBI:16646 ! carbohydrate +is_a: CHEBI:33694 ! biomacromolecule + +[Term] +id: CHEBI:18155 +name: (S)-1,2-didecanoylglycerol +is_a: CHEBI:11152 ! 1,2-didecanoylglycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol + +[Term] +id: CHEBI:18157 +name: aerobactin +is_a: CHEBI:25095 ! L-lysine derivative +relationship: has_role CHEBI:26672 ! siderophore +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18159 +name: ribose 5-triphosphate +is_a: CHEBI:26563 ! ribose triphosphate + +[Term] +id: CHEBI:18163 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18164 +name: (2S)-2-hydroxyphytanic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:24913 ! isoprenoid + +[Term] +id: CHEBI:18165 +name: isopenicillin N +is_a: CHEBI:17334 ! penicillin + +[Term] +id: CHEBI:18167 +name: alpha-maltose +is_a: CHEBI:17306 ! maltose + +[Term] +id: CHEBI:18168 +name: 2-oxophytanic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:18169 +name: 1D-myo-inositol 3-phosphate +is_a: CHEBI:25446 ! myo-inositol monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18170 +name: selenic acid +is_a: CHEBI:33489 ! selenium oxoacid + +[Term] +id: CHEBI:18171 +name: 8-O-methylsterigmatocystin +is_a: CHEBI:26759 ! sterigmatocystins + +[Term] +id: CHEBI:18172 +name: fluoroacetate +is_a: CHEBI:85638 ! haloacetate(1-) + +[Term] +id: CHEBI:18176 +name: 2-coumaric acid +is_a: CHEBI:23401 ! coumaric acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18177 +name: N-acetylphenylethylamine +is_a: CHEBI:55469 ! N-acetyl-2-arylethylamine + +[Term] +id: CHEBI:18179 +name: phosphoinositide +is_a: CHEBI:28874 ! phosphatidylinositol + +[Term] +id: CHEBI:18183 +name: 5-oxo-L-proline +is_a: CHEBI:16010 ! 5-oxoproline +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84186 ! L-proline derivative +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:18184 +name: 3,5,3'-triiodothyropyruvic acid +is_a: CHEBI:37142 ! organoiodine compound + +[Term] +id: CHEBI:18185 +name: gamma-tocopherol +is_a: CHEBI:27013 ! tocopherol +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77962 ! food antioxidant +relationship: has_role CHEBI:78295 ! food component +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:18186 +name: tyrosine +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:33856 ! aromatic amino acid +relationship: has_part CHEBI:50336 ! 4-hydroxybenzyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:18187 +name: (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:18188 +name: (S)-3-aminoisobutyrate +is_a: CHEBI:49096 ! 3-aminoisobutyrate + +[Term] +id: CHEBI:18193 +name: 10-deacetylbaccatin III +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:52557 ! tetracyclic diterpenoid + +[Term] +id: CHEBI:18195 +name: alpha,alpha'-trehalose 6,6'-bismycolate +is_a: CHEBI:27083 ! trehalose mycolate +is_a: CHEBI:62547 ! polyacyl alpha,alpha-trehalose + +[Term] +id: CHEBI:18197 +name: ditrans,polycis-undecaprenyl diphosphate +is_a: CHEBI:53042 ! undecaprenyl diphosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18198 +name: 4-amino-4-deoxychorismic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid + +[Term] +id: CHEBI:18199 +name: UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine +is_a: CHEBI:35257 ! UDP-glycopeptide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18200 +name: isoscoparin +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:18202 +name: L-iditol +is_a: CHEBI:24766 ! iditol +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18203 +name: penicillin N +is_a: CHEBI:17334 ! penicillin + +[Term] +id: CHEBI:18204 +name: 16,17-didehydroprogesterone +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:18205 +name: alpha-D-mannose 1-phosphate +is_a: CHEBI:16326 ! alpha-D-hexose 1-phosphate +is_a: CHEBI:35374 ! D-mannose 1-phosphate + +[Term] +id: CHEBI:18206 +name: 2-amino-5-oxocyclohex-1-enecarbonyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:18207 +name: N-acetyl-D-galactosamine 6-phosphate +is_a: CHEBI:24154 ! galactosamine phosphate + +[Term] +id: CHEBI:18208 +name: benzylpenicillin +is_a: CHEBI:17334 ! penicillin +is_a: CHEBI:88187 ! penicillin allergen +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:18209 +name: CoM-S-S-CoB +is_a: CHEBI:23356 ! S-substituted coenzyme M +is_a: CHEBI:35489 ! organic disulfide + +[Term] +id: CHEBI:18210 +name: hyponitrite(2-) +is_a: CHEBI:33458 ! nitrogen oxoanion + +[Term] +id: CHEBI:18211 +name: citrulline +is_a: CHEBI:23324 ! citrullines +relationship: has_role CHEBI:59174 ! hapten +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:18212 +name: selenite(2-) +is_a: CHEBI:33488 ! selenium oxoanion + +[Term] +id: CHEBI:18215 +name: syringetin +is_a: CHEBI:138730 ! 3'-methoxyflavones +is_a: CHEBI:138732 ! 3',5'-dimethoxyflavone +is_a: CHEBI:23798 ! dimethoxyflavone +is_a: CHEBI:38684 ! tetrahydroxyflavone +is_a: CHEBI:52267 ! 7-hydroxyflavonol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor + +[Term] +id: CHEBI:18216 +name: alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18217 +name: alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide + +[Term] +id: CHEBI:18218 +name: 2'-hydroxybiphenyl-2-sulfinate +is_a: CHEBI:37785 ! organosulfinate oxoanion + +[Term] +id: CHEBI:18220 +name: isoflavone +is_a: CHEBI:38757 ! isoflavones + +[Term] +id: CHEBI:18222 +name: xylose +is_a: CHEBI:33916 ! aldopentose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18224 +name: isoeugenol +is_a: CHEBI:26004 ! phenylpropanoid +relationship: has_role CHEBI:139492 ! sensitiser +relationship: has_role CHEBI:50904 ! allergen + +[Term] +id: CHEBI:18225 +name: myo-inositol 1,3-bisphosphate +is_a: CHEBI:25443 ! myo-inositol bisphosphate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18226 +name: (R)-6-hydroxynicotine +is_a: CHEBI:24729 ! 6-hydroxynicotine + +[Term] +id: CHEBI:18227 +name: sterigmatocystin +is_a: CHEBI:26759 ! sterigmatocystins +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:18228 +name: 1D-myo-inositol 1,3,4-trisphosphate +is_a: CHEBI:25450 ! myo-inositol trisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18229 +name: deacetoxycephalosporin C +is_a: CHEBI:23066 ! cephalosporin + +[Term] +id: CHEBI:18230 +name: chlorophyll a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:28966 ! chlorophyll + +[Term] +id: CHEBI:18231 +name: arsenic acid +is_a: CHEBI:33407 ! arsenic oxoacid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18232 +name: D-galactosamine 6-phosphate +is_a: CHEBI:24154 ! galactosamine phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18233 +name: xyloglucan +is_a: CHEBI:37163 ! glucan +is_a: CHEBI:61266 ! hemicellulose + +[Term] +id: CHEBI:18234 +name: alpha,alpha'-trehalose 6-mycolate +is_a: CHEBI:60486 ! trehalose monomycolate +is_a: CHEBI:62546 ! monoacyl alpha,alpha-trehalose + +[Term] +id: CHEBI:18236 +name: 6-demethylsterigmatocystin +is_a: CHEBI:26759 ! sterigmatocystins + +[Term] +id: CHEBI:18237 +name: glutamic acid +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:50329 ! 2-carboxyethyl group +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:18239 +name: ditrans,polycis-decaprenyl diphosphate +is_a: CHEBI:53043 ! decaprenyl diphosphate + +[Term] +id: CHEBI:18240 +name: 4-hydroxy-L-proline +is_a: CHEBI:20392 ! 4-hydroxyproline +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84186 ! L-proline derivative + +[Term] +id: CHEBI:18241 +name: 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:19257 ! 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:37016 ! 2'-deoxyribonucleoside 5'-phosphate + +[Term] +id: CHEBI:18242 +name: cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:18243 +name: dopamine +is_a: CHEBI:33567 ! catecholamine +relationship: has_role CHEBI:35522 ! beta-adrenergic agonist +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:38147 ! cardiotonic drug +relationship: has_role CHEBI:48560 ! dopaminergic agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18244 +name: 1-alkyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:138320 ! monoalkyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:18246 +name: (1->4)-beta-D-glucan +is_a: CHEBI:28793 ! beta-D-glucan + +[Term] +id: CHEBI:18247 +name: 5-amino-6-(5-phospho-D-ribitylamino)uracil +is_a: CHEBI:22295 ! alditol 5-phosphate +is_a: CHEBI:22532 ! aminouracil +is_a: CHEBI:26554 ! ribitol phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18248 +name: iron atom +is_a: CHEBI:33356 ! iron group element atom +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18249 +name: ergosta-5,7,22,24(28)-tetraen-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:18250 +name: chondroitin 4'-sulfate +is_a: CHEBI:37397 ! chondroitin sulfate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18251 +name: UDP-D-galactofuranose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:18252 +name: zymosterol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18253 +name: 5-guanidino-2-oxopentanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:18254 +name: ribonucleoside +is_a: CHEBI:33838 ! nucleoside +is_a: CHEBI:47019 ! dihydroxytetrahydrofuran + +[Term] +id: CHEBI:18255 +name: nebularine +is_a: CHEBI:142355 ! purines D-ribonucleoside +is_a: CHEBI:26399 ! purine ribonucleoside +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:18256 +name: 4-formylbenzenesulfonic acid +is_a: CHEBI:33555 ! arenesulfonic acid + +[Term] +id: CHEBI:18257 +name: ornithine +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:18258 +name: 3,3',5-triiodo-L-thyronine +is_a: CHEBI:24863 ! iodophenol +is_a: CHEBI:24864 ! iodothyronine +is_a: CHEBI:53291 ! 2-halophenol +relationship: has_role CHEBI:60311 ! thyroid hormone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18259 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:23075 ! glycotetraosylceramide +is_a: CHEBI:61360 ! globoside +is_a: CHEBI:88167 ! N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18261 +name: N-carbamoyl-beta-alanine +is_a: CHEBI:22823 ! beta-alanine derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18262 +name: dodecanoate +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76619 ! omega-methyl fatty acid anion +is_a: CHEBI:78119 ! fatty acid anion 12:0 +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18263 +name: 1-(5-phospho-D-ribosyl)-ATP +is_a: CHEBI:20629 ! 5-phosphoribosyl-ATP + +[Term] +id: CHEBI:18265 +name: 2-aminopteridin-4-ol +is_a: CHEBI:73184 ! 2-amino-4-hydroxypteridine + +[Term] +id: CHEBI:18266 +name: 1D-4-O-methyl-myo-inositol +is_a: CHEBI:25270 ! methyl myo-inositols +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18267 +name: 5-oxo-4,5-dihydro-2-furylacetic acid +is_a: CHEBI:23730 ! 5-oxo-2-furylacetic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:18268 +name: D-glucurono-6,3-lactone +is_a: CHEBI:24301 ! glucuronolactone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18269 +name: (1->6)-alpha-D-glucan +is_a: CHEBI:22385 ! alpha-D-glucan + +[Term] +id: CHEBI:18271 +name: 2',3'-cyclic nucleotide +is_a: CHEBI:23447 ! cyclic nucleotide + +[Term] +id: CHEBI:18272 +name: N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide +is_a: CHEBI:24367 ! glycinamide ribonucleotide + +[Term] +id: CHEBI:18274 +name: 2'-deoxyribonucleoside +is_a: CHEBI:23636 ! deoxyribonucleoside +is_a: CHEBI:47018 ! monohydroxytetrahydrofuran + +[Term] +id: CHEBI:18276 +name: dihydrogen +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:25362 ! elemental molecule +is_a: CHEBI:33260 ! elemental hydrogen +relationship: has_role CHEBI:15022 ! electron donor +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:33292 ! fuel +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:77974 ! food packaging gas + +[Term] +id: CHEBI:18277 +name: N-(5-phosphonato-beta-D-ribosyl)anthranilate +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:18278 +name: N-acetyl-D-glucosaminyldiphosphodolichol +is_a: CHEBI:24274 ! glucosaminylphosphodolichol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18280 +name: phenylglyoxylic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:18281 +name: 2,5-didehydro-D-gluconic acid +is_a: CHEBI:33507 ! diketoaldonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18282 +name: nucleobase +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:18283 +name: alpha,alpha-trehalose 6-phosphate +is_a: CHEBI:27084 ! trehalose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18284 +name: thiamine(1+) triphosphate(1-) +is_a: CHEBI:26945 ! thiamine phosphate + +[Term] +id: CHEBI:18285 +name: (S)-stylopine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:51914 ! organic heterohexacyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18287 +name: L-fucose +is_a: CHEBI:33984 ! fucose +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18288 +name: (S)-2-hydroxypropyl-CoM +is_a: CHEBI:24744 ! 2-hydroxypropyl-CoM + +[Term] +id: CHEBI:18289 +name: quinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone + +[Term] +id: CHEBI:18291 +name: manganese atom +is_a: CHEBI:33352 ! manganese group element atom +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18292 +name: jasmonic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid +relationship: has_role CHEBI:24937 ! jasmonates +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18293 +name: 5-methoxypsoralen +is_a: CHEBI:26369 ! psoralens +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:52061 ! 5-methoxyfurocoumarin +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18295 +name: histamine +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:64365 ! aralkylamino compound +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18296 +name: chondroitin 6'-sulfate +is_a: CHEBI:37397 ! chondroitin sulfate + +[Term] +id: CHEBI:18297 +name: 1D-myo-inositol 1-phosphate +is_a: CHEBI:25446 ! myo-inositol monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18298 +name: 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26106 ! phylloquinones + +[Term] +id: CHEBI:18299 +name: 1-C-(indol-3-yl)glycerol 3-phosphate +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates + +[Term] +id: CHEBI:18300 +name: maleic acid +is_a: CHEBI:22958 ! butenedioic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:18301 +name: cis,trans-4-hydroxymuconic semialdehyde +is_a: CHEBI:38436 ! muconic semialdehyde +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:18302 +name: 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide +is_a: CHEBI:37290 ! 1-(phosphoribosyl)imidazolecarboxamide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18303 +name: phosphatidyl-L-serine +is_a: CHEBI:52565 ! acylglycerophosphoserine +is_a: CHEBI:60971 ! aminophospholipid +is_a: CHEBI:84135 ! L-serine derivative +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18304 +name: deamido-NAD(+) +is_a: CHEBI:37584 ! nicotinic acid dinucleotide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18305 +name: hydroquinone O-beta-D-glucopyranoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18306 +name: thiamine(1+) carboxylic acid +is_a: CHEBI:26948 ! thiamine + +[Term] +id: CHEBI:18307 +name: UDP-D-galactose +is_a: CHEBI:17297 ! UDP-sugar +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18308 +name: acrylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:18310 +name: alkane +is_a: CHEBI:24632 ! hydrocarbon +is_a: CHEBI:33653 ! aliphatic compound + +[Term] +id: CHEBI:18311 +name: quinoline-4-carboxylic acid +is_a: CHEBI:26512 ! quinolinemonocarboxylic acid + +[Term] +id: CHEBI:18312 +name: 4-(hydroxymethyl)benzenesulfonic acid +is_a: CHEBI:33555 ! arenesulfonic acid + +[Term] +id: CHEBI:18313 +name: alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:36508 ! glycotriaosylceramide +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18314 +name: L-2-aminopentanoic acid +is_a: CHEBI:19475 ! 2-aminopentanoic acid +is_a: CHEBI:83922 ! (R)-fenbuconazole +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:18315 +name: pyrroloquinoline quinone +is_a: CHEBI:25622 ! orthoquinones +is_a: CHEBI:26461 ! pyrroloquinoline cofactor +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:27314 ! water-soluble vitamin + +[Term] +id: CHEBI:18316 +name: 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol +is_a: CHEBI:38170 ! diamino-1,3,5-triazine +is_a: CHEBI:38172 ! monohydroxy-1,3,5-triazine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite + +[Term] +id: CHEBI:18317 +name: N-acetyl-LL-2,6-diaminopimelate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:18318 +name: galactosylceramide sulfate +is_a: CHEBI:36477 ! sulfoglycosphingolipid +is_a: CHEBI:36498 ! galactosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18319 +name: SAICAR +is_a: CHEBI:37290 ! 1-(phosphoribosyl)imidazolecarboxamide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18320 +name: 1,4-dithiothreitol +is_a: CHEBI:23853 ! dithiol +is_a: CHEBI:25189 ! 1,4-dimercaptobutane-2,3-diol +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:63247 ! reducing agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18321 +name: 1-(sn-glycero-3-phospho)-1D-myo-inositol +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates +is_a: CHEBI:84140 ! myo-inositol monophosphate derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18322 +name: 6-oxohexanoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:71944 ! aldehydic acid anion +is_a: CHEBI:76309 ! omega-oxo fatty acid anion + +[Term] +id: CHEBI:18323 +name: anserine +is_a: CHEBI:22823 ! beta-alanine derivative +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18325 +name: 2-succinatobenzoate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:18327 +name: N-formimidoyl-L-glutamate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18328 +name: 13-hydroxylupanine +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:18329 +name: 5alpha-androstane-3beta,17beta-diol +is_a: CHEBI:27727 ! androstane-3,17-diol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:18330 +name: isovitexin +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:27116 ! trihydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor + +[Term] +id: CHEBI:18332 +name: L-thyroxine +is_a: CHEBI:24863 ! iodophenol +is_a: CHEBI:30660 ! thyroxine +is_a: CHEBI:53291 ! 2-halophenol +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84144 ! L-phenylalanine derivative +relationship: has_role CHEBI:50671 ! antithyroid drug +relationship: has_role CHEBI:60311 ! thyroid hormone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18333 +name: D-arabinitol +is_a: CHEBI:22605 ! arabinitol + +[Term] +id: CHEBI:18334 +name: adenosine 5'-(pentahydrogen tetraphosphate) +is_a: CHEBI:37067 ! purine ribonucleoside 5'-tetraphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate + +[Term] +id: CHEBI:18335 +name: pyridoxamine 5'-phosphate +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:36970 ! vitamin B6 phosphate +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38198 ! aminoalkylpyridine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18336 +name: 4-(phosphonooxy)-L-threonine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:84189 ! L-threonine derivative +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18337 +name: 5-amino-6-(5-phospho-beta-D-ribosylamino)uracil +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:22532 ! aminouracil +is_a: CHEBI:35159 ! ribose monophosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18340 +name: cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid +is_a: CHEBI:36104 ! 1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid + +[Term] +id: CHEBI:18341 +name: diacetylchitobiosyldiphosphodolichol +is_a: CHEBI:23102 ! chitobiosyldiphosphodolichol + +[Term] +id: CHEBI:18344 +name: kynurenic acid +is_a: CHEBI:26512 ! quinolinemonocarboxylic acid +is_a: CHEBI:38775 ! monohydroxyquinoline +relationship: has_role CHEBI:48878 ! nicotinic antagonist +relationship: has_role CHEBI:60643 ! NMDA receptor antagonist +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:70998 ! G-protein-coupled receptor agonist +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18346 +name: vanillin +is_a: CHEBI:22698 ! benzaldehydes +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18347 +name: L-norleucine +is_a: CHEBI:36405 ! 2-aminohexanoic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:18348 +name: 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate +is_a: CHEBI:37328 ! phosphatidylinositol bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18349 +name: N(1)-(5-phospho-D-ribosyl)glycinamide +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18350 +name: isoquinolin-1(2H)-one +is_a: CHEBI:24922 ! isoquinolines + +[Term] +id: CHEBI:18351 +name: 4-hydroxyhexan-3-one +is_a: CHEBI:24573 ! hexanone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:18353 +name: vanillyl alcohol +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:22743 ! benzyl alcohols +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18354 +name: (R)-2-hydroxypropyl-CoM +is_a: CHEBI:24744 ! 2-hydroxypropyl-CoM + +[Term] +id: CHEBI:18355 +name: 2-hydroxypenta-2,4-dienoic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:18356 +name: pyrroloquinoline quinol +is_a: CHEBI:26461 ! pyrroloquinoline cofactor +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:18357 +name: (R)-noradrenaline +is_a: CHEBI:33569 ! noradrenaline +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:35569 ! alpha-adrenergic agonist +relationship: has_role CHEBI:50514 ! vasoconstrictor agent +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18358 +name: methoxsalen +is_a: CHEBI:26369 ! psoralens +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:50177 ! dermatologic drug +relationship: has_role CHEBI:50684 ! cross-linking reagent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18359 +name: holo-[acyl-carrier protein] +is_a: CHEBI:13534 ! acyl-carrier protein +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18360 +name: 13-(2-methylcrotonoyloxy)lupanine +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:18361 +name: diphosphate(4-) +is_a: CHEBI:35782 ! diphosphate ion + +[Term] +id: CHEBI:18362 +name: 17-O-deacetylvindoline +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:27288 ! vinca alkaloid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:18363 +name: reticulinylium +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:18364 +name: 14-demethyllanosterol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18365 +name: naphthalene-1,3,6,8-tetrol +is_a: CHEBI:26925 ! naphthalenetetrol + +[Term] +id: CHEBI:18367 +name: phosphate(3-) +is_a: CHEBI:35780 ! phosphate ion +is_a: CHEBI:79387 ! trivalent inorganic anion + +[Term] +id: CHEBI:18368 +name: D-glucosyl-N-acylsphingosine +is_a: CHEBI:36500 ! glucosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18370 +name: 7-deoxyloganin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:51737 ! alpha,beta-unsaturated carboxylic ester + +[Term] +id: CHEBI:18371 +name: cis-4-carboxymethylenebut-2-en-4-olide +is_a: CHEBI:11972 ! 4-carboxymethylenebut-2-en-4-olide + +[Term] +id: CHEBI:18372 +name: 7,8-dihydroneopterin 3'-triphosphate +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:36942 ! pterin phosphate +is_a: CHEBI:38797 ! dihydropterin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18373 +name: (7S)-salutaridinol +is_a: CHEBI:26600 ! salutaridinol + +[Term] +id: CHEBI:18374 +name: 1-(5-phospho-beta-D-ribosyl)-5'-AMP +is_a: CHEBI:20853 ! AMP-sugar +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18375 +name: nucleoside 3',5'-cyclic phosphate +is_a: CHEBI:23447 ! cyclic nucleotide + +[Term] +id: CHEBI:18376 +name: dermatan sulfate +is_a: CHEBI:35722 ! sulfated glycosaminoglycan +is_a: CHEBI:37395 ! mucopolysaccharide +relationship: has_role CHEBI:50248 ! hematologic agent +relationship: has_role CHEBI:50249 ! anticoagulant + +[Term] +id: CHEBI:18377 +name: N-formylkynurenine +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:18378 +name: 4alpha-methyl-5alpha-cholest-7-en-3beta-ol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:18379 +name: nitrile +is_a: CHEBI:23424 ! cyanides +relationship: has_part CHEBI:48819 ! cyano group + +[Term] +id: CHEBI:18380 +name: 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate +is_a: CHEBI:25051 ! lipid As +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18381 +name: 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide +is_a: CHEBI:37290 ! 1-(phosphoribosyl)imidazolecarboxamide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18383 +name: 3-aminoalanine +is_a: CHEBI:22278 ! alanine derivative +is_a: CHEBI:33706 ! beta-amino acid +is_a: CHEBI:35987 ! diamino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18384 +name: 1D-myo-inositol 4-phosphate +is_a: CHEBI:25446 ! myo-inositol monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:18385 +name: thiamine(1+) +is_a: CHEBI:26948 ! thiamine +relationship: has_role CHEBI:27314 ! water-soluble vitamin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18386 +name: quinaldic acid +is_a: CHEBI:26512 ! quinolinemonocarboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18387 +name: N-formimidoyl-L-aspartate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:18388 +name: apigenin +is_a: CHEBI:27116 ! trihydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:18390 +name: N-acyl-beta-D-galactosylsphingosine +is_a: CHEBI:83866 ! N-acyl-D-galactosylsphingosine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18391 +name: D-gluconate +is_a: CHEBI:24265 ! gluconate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18392 +name: bis(beta-glucosyluronic acid)bilirubin +is_a: CHEBI:22872 ! (glucosyluronic acid)bilirubin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18393 +name: naphthalene-1,3,8-triol +is_a: CHEBI:27118 ! naphthalenetriol + +[Term] +id: CHEBI:18394 +name: 6-O-alpha-D-glucopyranosyl-D-fructofuranose +is_a: CHEBI:35378 ! glycosylfructose +relationship: has_role CHEBI:50505 ! sweetening agent +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18395 +name: 2-dehydropantolactone +is_a: CHEBI:47022 ! tetrahydrofurandione + +[Term] +id: CHEBI:18396 +name: beta-D-mannosyldiacetylchitobiosyldiphosphodolichol +is_a: CHEBI:18341 ! diacetylchitobiosyldiphosphodolichol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18397 +name: 2-phenylethylamine +is_a: CHEBI:18000 ! aralkylamine +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:50048 ! phenylethylamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18398 +name: linear maltodextrin +is_a: CHEBI:25140 ! maltodextrin + +[Term] +id: CHEBI:18399 +name: codeinone +is_a: CHEBI:24921 ! isoquinoline alkaloid + +[Term] +id: CHEBI:18400 +name: 2-hydroxy-1,4-benzoquinone +is_a: CHEBI:67273 ! monohydroxy-1,4-benzoquinones +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18401 +name: phenylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18402 +name: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:47891 ! steroid acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18403 +name: L-arabinitol +is_a: CHEBI:22605 ! arabinitol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18404 +name: 3-methylcatechol +is_a: CHEBI:25289 ! methylcatechol +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:18405 +name: pyridoxal 5'-phosphate +is_a: CHEBI:25340 ! methylpyridines +is_a: CHEBI:36970 ! vitamin B6 phosphate +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:38187 ! pyridinecarbaldehyde +relationship: has_role CHEBI:131699 ! EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18406 +name: AICA ribonucleotide +is_a: CHEBI:22512 ! aminoimidazole +is_a: CHEBI:37290 ! 1-(phosphoribosyl)imidazolecarboxamide +relationship: has_role CHEBI:35554 ! cardiovascular drug +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18407 +name: hydrogen cyanide +is_a: CHEBI:33405 ! hydracid +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:64909 ! poison +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18408 +name: cobamamide +is_a: CHEBI:23334 ! cobalamins +is_a: CHEBI:33913 ! corrinoid +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:26348 ! prosthetic group +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18409 +name: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid +is_a: CHEBI:16444 ! 2-acetyllactic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18410 +name: N-formylanthranilate +is_a: CHEBI:61666 ! amidobenzoate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18411 +name: laminarabiose +is_a: CHEBI:24405 ! glycosylglucose + +[Term] +id: CHEBI:18412 +name: N(omega)-phospho-L-arginine +is_a: CHEBI:26051 ! phosphoamino acid +is_a: CHEBI:64618 ! phosphagen +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83965 ! L-arginine derivative +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:18413 +name: 2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:35359 ! carboxamidine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18415 +name: N-formimidoylglycine +is_a: CHEBI:24373 ! glycine derivative + +[Term] +id: CHEBI:18416 +name: N-[(R)-pantothenoyl]-L-cysteine +is_a: CHEBI:83824 ! L-cysteine derivative +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18417 +name: (RS)-coclaurine +is_a: CHEBI:23347 ! coclaurine + +[Term] +id: CHEBI:18418 +name: (RS)-norcoclaurine +is_a: CHEBI:25591 ! norcoclaurine + +[Term] +id: CHEBI:18419 +name: lactaldehyde +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:50413 ! hydroxyaldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:18420 +name: magnesium(2+) +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:39127 ! magnesium cation +is_a: CHEBI:60240 ! divalent metal cation + +[Term] +id: CHEBI:18421 +name: superoxide +is_a: CHEBI:26523 ! reactive oxygen species +is_a: CHEBI:33263 ! diatomic oxygen +is_a: CHEBI:36876 ! inorganic radical anion +is_a: CHEBI:61073 ! oxygen radical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18422 +name: sulfur dioxide +is_a: CHEBI:48154 ! sulfur oxide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:78003 ! food bleaching agent +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:18425 +name: 2-C-methyl-D-erythritol 2,4-cyclic diphosphate +is_a: CHEBI:26980 ! tetritol phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:18426 +name: 1D-myo-inositol 1,2-cyclic phosphate +is_a: CHEBI:25444 ! myo-inositol cyclic phosphate +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:18427 +name: 1D-1-O-methyl-myo-inositol +is_a: CHEBI:25270 ! methyl myo-inositols +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18429 +name: dehydrovomifoliol +is_a: CHEBI:36739 ! fenchane monoterpenoid +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:18430 +name: 3-hydroxy-16-methoxy-2,3-dihydrotabersonine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid + +[Term] +id: CHEBI:18431 +name: 7alpha,26-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:27136 ! triol +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18435 +name: (+)-7-isojasmonic acid +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:61121 ! oxylipin +relationship: has_role CHEBI:24937 ! jasmonates +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:1845 +name: 4-hydroxy-3-polyprenylbenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:18450 +name: (R)-mandelonitrile +is_a: CHEBI:16910 ! mandelonitrile + +[Term] +id: CHEBI:18481 +name: (-)-cis-sabinol +is_a: CHEBI:26590 ! sabinol + +[Term] +id: CHEBI:18504 +name: (1->3,1->4)-beta-D-glucan +is_a: CHEBI:28793 ! beta-D-glucan + +[Term] +id: CHEBI:18515 +name: (1S,2S,4R)-limonene-1,2-diol +is_a: CHEBI:17219 ! limonene-1,2-diol +is_a: CHEBI:25040 ! limonene monoterpenoid + +[Term] +id: CHEBI:18533 +name: 5alpha-campestan-3-one +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:22921 ! brassinosteroid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:18534 +name: campest-4-en-3-one +is_a: CHEBI:47788 ! 3-oxo steroid + +[Term] +id: CHEBI:18608 +name: 5-methyltetrahydrofolate(2-) +is_a: CHEBI:20612 ! 5-methyltetrahydrofolate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18634 +name: (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde +is_a: CHEBI:25422 ! muconate semialdehyde + +[Term] +id: CHEBI:18657 +name: (R)-2-trans-abscisic acid +is_a: CHEBI:62426 ! 2-trans-abscisic acid + +[Term] +id: CHEBI:18697 +name: (R)-pantoic acid +is_a: CHEBI:14737 ! pantoic acid + +[Term] +id: CHEBI:18703 +name: D-pipecolate +is_a: CHEBI:36110 ! pipecolate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:18723 +name: nicotine +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:17688 ! (S)-nicotine +relationship: has_part CHEBI:39162 ! (R)-nicotine +relationship: has_role CHEBI:35471 ! psychotropic drug +relationship: has_role CHEBI:35474 ! anxiolytic drug +relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist +relationship: has_role CHEBI:49110 ! peripheral nervous system drug +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:52290 ! mitogen +relationship: has_role CHEBI:59163 ! biomarker + +[Term] +id: CHEBI:18743 +name: (S)-2-trans-abscisic acid +is_a: CHEBI:62426 ! 2-trans-abscisic acid + +[Term] +id: CHEBI:18790 +name: (S)-mevalonate +is_a: CHEBI:25350 ! mevalonate + +[Term] +id: CHEBI:18822 +name: (Z,Z,Z)-geranylgeraniol +is_a: CHEBI:24229 ! geranylgeraniol + +[Term] +id: CHEBI:1883 +name: 4-hydroxystyrene +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:18859 +name: 1,2,3-tribromopropane +is_a: CHEBI:22926 ! bromohydrocarbon +is_a: CHEBI:22929 ! bromoalkane + +[Term] +id: CHEBI:18887 +name: cyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:18904 +name: (3R,6R)-1,3,4,6-tetrachlorocyclohexa-1,4-diene +is_a: CHEBI:513 ! 1,3,4,6-tetrachlorocyclohexa-1,4-diene + +[Term] +id: CHEBI:18913 +name: (1->3)-alpha-D-mannooligosaccharide +is_a: CHEBI:25174 ! mannooligosaccharide + +[Term] +id: CHEBI:18917 +name: 1,3-dichloropropan-2-ol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36683 ! organochlorine compound +relationship: has_role CHEBI:48356 ! protic solvent +relationship: has_role CHEBI:50684 ! cross-linking reagent + +[Term] +id: CHEBI:18918 +name: 1,3-dichloropropene +is_a: CHEBI:23162 ! chloropropene +relationship: has_role CHEBI:25491 ! nematicide + +[Term] +id: CHEBI:18946 +name: delta-lactone +is_a: CHEBI:25000 ! lactone + +[Term] +id: CHEBI:1895 +name: 4-methylbenzyl alcohol +is_a: CHEBI:25281 ! methylbenzyl alcohol +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:19029 +name: 1-aminopropan-2-yl phosphate +is_a: CHEBI:36711 ! phosphoethanolamine + +[Term] +id: CHEBI:19030 +name: 1-aminopropan-2-ol +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:19062 +name: 1-methylguanosine +is_a: CHEBI:25307 ! methylguanosine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:19092 +name: 1-pyrroline +is_a: CHEBI:23763 ! pyrroline +is_a: CHEBI:24783 ! imine + +[Term] +id: CHEBI:19098 +name: 1-pyrrolinecarboxylic acid +is_a: CHEBI:23763 ! pyrroline +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:19129 +name: 11alpha-hydroxy steroid +is_a: CHEBI:36841 ! 11-hydroxy steroid + +[Term] +id: CHEBI:19138 +name: 12-HETE +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:19168 +name: 17-oxo steroid +is_a: CHEBI:35789 ! oxo steroid +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:19203 +name: 1H-pyrrole +is_a: CHEBI:32863 ! secondary amine +is_a: CHEBI:35556 ! pyrrole + +[Term] +id: CHEBI:1921 +name: 4-oxocyclohexanecarboxylic acid +is_a: CHEBI:35952 ! 5-oxo monocarboxylic acid + +[Term] +id: CHEBI:19217 +name: 2',3'-cyclic purine nucleotide +is_a: CHEBI:18271 ! 2',3'-cyclic nucleotide +is_a: CHEBI:36982 ! cyclic purine nucleotide + +[Term] +id: CHEBI:19218 +name: 2',3'-cyclic pyrimidine nucleotide +is_a: CHEBI:18271 ! 2',3'-cyclic nucleotide +is_a: CHEBI:36983 ! cyclic pyrimidine nucleotide + +[Term] +id: CHEBI:19237 +name: 2'-deoxyadenosine 5'-phosphate +is_a: CHEBI:19239 ! 2'-deoxyadenosine phosphate + +[Term] +id: CHEBI:19239 +name: 2'-deoxyadenosine phosphate +is_a: CHEBI:23612 ! deoxyadenosine phosphate + +[Term] +id: CHEBI:19252 +name: 2'-deoxyribonucleoside 3'-monophosphate +is_a: CHEBI:19257 ! 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:37014 ! 2'-deoxyribonucleoside 3'-phosphate + +[Term] +id: CHEBI:19254 +name: purine 2'-deoxyribonucleoside +is_a: CHEBI:18274 ! 2'-deoxyribonucleoside +is_a: CHEBI:60173 ! purine deoxyribonucleoside + +[Term] +id: CHEBI:19255 +name: pyrimidine 2'-deoxyribonucleoside +is_a: CHEBI:18274 ! 2'-deoxyribonucleoside +is_a: CHEBI:68472 ! pyrimidine deoxyribonucleoside + +[Term] +id: CHEBI:19257 +name: 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate + +[Term] +id: CHEBI:19260 +name: 2'-deoxyribonucleotide +is_a: CHEBI:19569 ! 2-deoxyribose phosphate +is_a: CHEBI:4431 ! deoxyribonucleotide +is_a: CHEBI:47018 ! monohydroxytetrahydrofuran + +[Term] +id: CHEBI:19274 +name: 2'-deoxymugineic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:19281 +name: 2,2'-bithiophenes +is_a: CHEBI:26961 ! thiophenes +is_a: CHEBI:36820 ! ring assembly + +[Term] +id: CHEBI:19298 +name: 2,3,5-trichloro-cis,cis-muconate(2-) +is_a: CHEBI:38411 ! chlorocarboxylic acid anion + +[Term] +id: CHEBI:19324 +name: 2,3-bisphosphoglycerate +is_a: CHEBI:61304 ! phosphoglycerate + +[Term] +id: CHEBI:19327 +name: 2-hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:19331 +name: (2,4,5-trichlorophenoxy)acetate +is_a: CHEBI:23151 ! chlorophenoxyacetate anion + +[Term] +id: CHEBI:19333 +name: 2,4,6-trichloroanisole +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:27096 ! trichlorobenzene + +[Term] +id: CHEBI:19351 +name: (2,4-dichlorophenoxy)acetate +is_a: CHEBI:23151 ! chlorophenoxyacetate anion + +[Term] +id: CHEBI:19375 +name: 2,5-dichloro-cis,cis-muconate(2-) +is_a: CHEBI:38425 ! 2,5-dichloromuconate(2-) + +[Term] +id: CHEBI:19391 +name: 2,6-dibromophenol +is_a: CHEBI:22926 ! bromohydrocarbon +is_a: CHEBI:33625 ! dibromophenol +relationship: has_role CHEBI:76507 ! marine metabolite + +[Term] +id: CHEBI:1941 +name: 4-(trimethylammonio)butanoic acid +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:19418 +name: 3-(acetamidomethylene)-2-(hydroxymethyl)succinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:19432 +name: 2-acetamidofluorenes +is_a: CHEBI:24059 ! fluorenes + +[Term] +id: CHEBI:19448 +name: 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:38436 ! muconic semialdehyde +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:19471 +name: 2-aminohexano-6-lactam +is_a: CHEBI:22475 ! amino acid amide +is_a: CHEBI:23000 ! caprolactams + +[Term] +id: CHEBI:19475 +name: 2-aminopentanoic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:1949 +name: 4alpha-methylzymosterol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:19503 +name: propachlor +is_a: CHEBI:13248 ! anilide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:36683 ! organochlorine compound +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:19504 +name: 2-chloro-cis,cis-muconate(2-) +is_a: CHEBI:38411 ! chlorocarboxylic acid anion + +[Term] +id: CHEBI:19511 +name: 2-cis,6-cis-farnesyl diphosphate +is_a: CHEBI:50277 ! farnesyl diphosphate + +[Term] +id: CHEBI:19515 +name: 2-cis,6-trans-farnesyl diphosphate +is_a: CHEBI:50277 ! farnesyl diphosphate + +[Term] +id: CHEBI:19543 +name: 2-dehydro-L-idonic acid +is_a: CHEBI:24963 ! ketoaldonic acid + +[Term] +id: CHEBI:19555 +name: 2-deoxy-D-glucoside +is_a: CHEBI:35436 ! D-glucoside + +[Term] +id: CHEBI:19564 +name: 2-deoxyribose 1-phosphate +is_a: CHEBI:19569 ! 2-deoxyribose phosphate + +[Term] +id: CHEBI:19565 +name: 2-deoxyribose 5-phosphate +is_a: CHEBI:19569 ! 2-deoxyribose phosphate + +[Term] +id: CHEBI:19568 +name: 2-deoxyribose bisphosphate +is_a: CHEBI:19569 ! 2-deoxyribose phosphate + +[Term] +id: CHEBI:19569 +name: 2-deoxyribose phosphate +is_a: CHEBI:23634 ! deoxyaldopentose phosphate + +[Term] +id: CHEBI:19573 +name: 2-enoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:1958 +name: 5'-dehydroadenosine +is_a: CHEBI:22260 ! adenosines + +[Term] +id: CHEBI:19591 +name: 2-hexenal +is_a: CHEBI:13757 ! n-alk-2-enal +is_a: CHEBI:24578 ! hexenal + +[Term] +id: CHEBI:19615 +name: 2-hydroxy-6-oxonona-2,4-dienedioate +is_a: CHEBI:25575 ! nonadienedioate +is_a: CHEBI:36147 ! oxo dicarboxylate + +[Term] +id: CHEBI:19641 +name: 2-hydroxyisobutyrate +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:19660 +name: 2-hydroxyoctadecanoic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:19672 +name: 4-oxohex-2-enedioic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:19680 +name: 2-methylacetoacetate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:19702 +name: N(2)-methylguanosine +is_a: CHEBI:25307 ! methylguanosine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:19733 +name: (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:19763 +name: 2-phosphoglycolate +is_a: CHEBI:29805 ! glycolate + +[Term] +id: CHEBI:19775 +name: quinaldate +is_a: CHEBI:38773 ! quinolinemonocarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:19834 +name: 3',5'-cyclic purine nucleotide +is_a: CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate +is_a: CHEBI:36982 ! cyclic purine nucleotide + +[Term] +id: CHEBI:19835 +name: 3',5'-cyclic pyrimidine nucleotide +is_a: CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate +is_a: CHEBI:36983 ! cyclic pyrimidine nucleotide + +[Term] +id: CHEBI:1989 +name: (6R)-5,10-methylenetetrahydrofolic acid +is_a: CHEBI:20502 ! 5,10-methylenetetrahydrofolic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:19891 +name: 3,4-dihydroxyphenylpyruvic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:19929 +name: 3-hydroxy-3-phenylpropionic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:19946 +name: xylosylglycoside +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:19950 +name: 3-O-methylgallate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:19960 +name: 3-amino-3-(4-hydroxyphenyl)propanoate +is_a: CHEBI:49095 ! beta-amino-acid anion + +[Term] +id: CHEBI:19982 +name: 3-chloroacrylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:36685 ! chlorocarboxylic acid + +[Term] +id: CHEBI:20 +name: (+)-camphene +is_a: CHEBI:3830 ! camphene + +[Term] +id: CHEBI:20012 +name: 3-enoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:20013 +name: 3-epi-3-hydroxymugineic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:20016 +name: 3-ethylcatechols +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:2003 +name: 5,6-dihydroxyindole-2-carboxylic acid +is_a: CHEBI:23781 ! dihydroxyindole +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:20056 +name: 3-hydroxy-L-proline +is_a: CHEBI:64368 ! 3-hydroxyproline +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84186 ! L-proline derivative + +[Term] +id: CHEBI:20060 +name: 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:20067 +name: 3-hydroxybutyric acid +is_a: CHEBI:24684 ! hydroxybutyric acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +is_a: CHEBI:78954 ! (omega-1)-hydroxy fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:20070 +name: 3-hydroxyhexanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:20081 +name: 3-hydroxypropionyl-CoA +is_a: CHEBI:26296 ! propanoyl-CoAs + +[Term] +id: CHEBI:20114 +name: 3-methylquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone + +[Term] +id: CHEBI:20140 +name: 3-methylquinoline +is_a: CHEBI:48982 ! methylquinoline +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:20156 +name: 3-oxo-Delta(1) steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:2024 +name: 5-acetamidopentanoic acid +is_a: CHEBI:22160 ! acetamides +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:20265 +name: lanostane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:2030 +name: 5-aminoimidazole-4-carboxamide +is_a: CHEBI:22512 ! aminoimidazole +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:20346 +name: cinnamyl alcohol beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:203600 +name: 1D-myo-inositol 1,4,5-trisphosphate(6-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:20361 +name: (4-deoxygluc-4-enosyluronic acid)-(1->3)-N-acetyl-D-galactosamine sulfate +is_a: CHEBI:37909 ! oligosaccharide sulfate + +[Term] +id: CHEBI:20391 +name: 4-hydroxy-L-lysine +is_a: CHEBI:24661 ! hydroxy-L-lysine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:86273 ! 4-hydroxylysine + +[Term] +id: CHEBI:20392 +name: 4-hydroxyproline +is_a: CHEBI:86499 ! monohydroxyproline +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:20432 +name: imidazolone +is_a: CHEBI:24780 ! imidazoles + +[Term] +id: CHEBI:20441 +name: 4-(methylamino)butyrate +is_a: CHEBI:60870 ! aza fatty acid anion + +[Term] +id: CHEBI:20476 +name: 4-sulfonatobenzoate(2-) +is_a: CHEBI:36086 ! sulfonatobenzoate + +[Term] +id: CHEBI:20479 +name: (5-oxo-2-sulfonato-2,5-dihydrofuran-2-yl)acetate +is_a: CHEBI:33554 ! organosulfonate oxoanion +is_a: CHEBI:50523 ! butenolide + +[Term] +id: CHEBI:20485 +name: 4-pyridones +is_a: CHEBI:38183 ! pyridone + +[Term] +id: CHEBI:20502 +name: 5,10-methylenetetrahydrofolic acid +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:25297 ! methylenetetrahydrofolic acid + +[Term] +id: CHEBI:20506 +name: 5,6,7,8-tetrahydrofolic acid +is_a: CHEBI:26907 ! tetrahydrofolic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:20515 +name: 5,6-dioxidoindole-2-carboxylate +is_a: CHEBI:23781 ! dihydroxyindole +is_a: CHEBI:38609 ! indolecarboxylate + +[Term] +id: CHEBI:20568 +name: 5-deoxyribose phosphate +is_a: CHEBI:23634 ! deoxyaldopentose phosphate + +[Term] +id: CHEBI:20569 +name: EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor + +[Term] +id: CHEBI:20570 +name: 5-hydroxycamphor +is_a: CHEBI:22912 ! bornane monoterpenoid +is_a: CHEBI:23446 ! cyclic monoterpene ketone + +[Term] +id: CHEBI:20612 +name: 5-methyltetrahydrofolate +is_a: CHEBI:25345 ! methyltetrahydrofolate + +[Term] +id: CHEBI:20629 +name: 5-phosphoribosyl-ATP +is_a: CHEBI:20855 ! ATP-sugar + +[Term] +id: CHEBI:20640 +name: 5alpha-campestane +is_a: CHEBI:35518 ! campestane + +[Term] +id: CHEBI:20642 +name: 5alpha-cholane +is_a: CHEBI:35519 ! cholane + +[Term] +id: CHEBI:20652 +name: 5alpha-ergostane +is_a: CHEBI:35512 ! ergostane + +[Term] +id: CHEBI:20656 +name: 5alpha-pregnane +is_a: CHEBI:61313 ! C21-steroid +is_a: CHEBI:8386 ! pregnane + +[Term] +id: CHEBI:20659 +name: 5beta-androstane +is_a: CHEBI:35509 ! androstane + +[Term] +id: CHEBI:20664 +name: 5beta-cholane +is_a: CHEBI:35519 ! cholane + +[Term] +id: CHEBI:20670 +name: 5beta-estrane +is_a: CHEBI:23966 ! estrane + +[Term] +id: CHEBI:20674 +name: 5beta-pregnane +is_a: CHEBI:61313 ! C21-steroid +is_a: CHEBI:8386 ! pregnane + +[Term] +id: CHEBI:20680 +name: 6,7-dihydrobiopterin +is_a: CHEBI:22881 ! biopterins +is_a: CHEBI:38797 ! dihydropterin +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:20702 +name: 2-aminopurines +is_a: CHEBI:22527 ! aminopurine + +[Term] +id: CHEBI:20706 +name: 6-aminopurines +is_a: CHEBI:22527 ! aminopurine + +[Term] +id: CHEBI:20710 +name: 3-dehydro-6-deoxoteasterone +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:22921 ! brassinosteroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:36866 ! 23-hydroxy steroid + +[Term] +id: CHEBI:20717 +name: 6-deoxotyphasterol +is_a: CHEBI:15889 ! sterol +is_a: CHEBI:22921 ! brassinosteroid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:36866 ! 23-hydroxy steroid + +[Term] +id: CHEBI:20750 +name: 6-phospho-2-dehydro-D-gluconate(3-) +is_a: CHEBI:24962 ! ketoaldonic acid phosphate + +[Term] +id: CHEBI:2076 +name: 5-hydroxykynurenine +is_a: CHEBI:86497 ! hydroxykynurenine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:20794 +name: 7-methylguanosine +is_a: CHEBI:25307 ! methylguanosine +is_a: CHEBI:25697 ! organic cation +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:20805 +name: (+)-8'-hydroxyabscisic acid +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid + +[Term] +id: CHEBI:20814 +name: phenanthrene-9,10-diol +is_a: CHEBI:37453 ! phenanthrenediol + +[Term] +id: CHEBI:2082 +name: 5-hydroxyxanthotoxin +is_a: CHEBI:26369 ! psoralens +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:20847 +name: ADP-glycero-D-manno-heptose +is_a: CHEBI:17193 ! ADP-aldose + +[Term] +id: CHEBI:20853 +name: AMP-sugar +is_a: CHEBI:64711 ! purine nucleotide-sugar + +[Term] +id: CHEBI:20855 +name: ATP-sugar +is_a: CHEBI:64711 ! purine nucleotide-sugar + +[Term] +id: CHEBI:20857 +name: C-glycosyl compound +is_a: CHEBI:63161 ! glycosyl compound +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:20858 +name: C19-gibberellin +is_a: CHEBI:24250 ! gibberellin + +[Term] +id: CHEBI:20859 +name: C20-gibberellin +is_a: CHEBI:24250 ! gibberellin + +[Term] +id: CHEBI:20873 +name: CDP-sugar +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar + +[Term] +id: CHEBI:20878 +name: CMP-sugar +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar + +[Term] +id: CHEBI:20891 +name: (R)-4'-phosphopantothenate(2-) +is_a: CHEBI:37481 ! amidoalkyl phosphate + +[Term] +id: CHEBI:20899 +name: D-alloisoleucine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:22359 ! alloisoleucine + +[Term] +id: CHEBI:20902 +name: allose phosphate +is_a: CHEBI:21037 ! aldohexose phosphate + +[Term] +id: CHEBI:20912 +name: D-arabinonic acid +is_a: CHEBI:33509 ! arabinonic acid + +[Term] +id: CHEBI:20937 +name: D-fructuronic acid +is_a: CHEBI:24113 ! fructuronic acid + +[Term] +id: CHEBI:20954 +name: D-galactosaminide +is_a: CHEBI:24587 ! hexosaminide + +[Term] +id: CHEBI:20960 +name: galactose phosphate +is_a: CHEBI:21037 ! aldohexose phosphate + +[Term] +id: CHEBI:20961 +name: D-galactoside +is_a: CHEBI:24163 ! galactoside + +[Term] +id: CHEBI:20971 +name: D-galactosyl-N-acetyl-D-glucosaminyl-(1->3)-D-galactosyl-(1->4)-D-glucosylceramide +is_a: CHEBI:36507 ! D-galactosyl-N-acetyl-D-glucosaminyl-D-galactosyl-D-glucosylceramide + +[Term] +id: CHEBI:21005 +name: D-glucose bisphosphate +is_a: CHEBI:21008 ! glucose phosphate + +[Term] +id: CHEBI:21006 +name: D-glucose monophosphate +is_a: CHEBI:21008 ! glucose phosphate + +[Term] +id: CHEBI:21008 +name: glucose phosphate +is_a: CHEBI:21037 ! aldohexose phosphate + +[Term] +id: CHEBI:21010 +name: D-glucosyl-D-mannose +is_a: CHEBI:35318 ! glycosylmannose + +[Term] +id: CHEBI:21037 +name: aldohexose phosphate +is_a: CHEBI:35131 ! aldose phosphate +is_a: CHEBI:47878 ! hexose phosphate + +[Term] +id: CHEBI:21040 +name: D-idarate(2-) +is_a: CHEBI:35385 ! idarate(2-) + +[Term] +id: CHEBI:21041 +name: D-idaric acid +is_a: CHEBI:24765 ! idaric acid + +[Term] +id: CHEBI:21054 +name: mannonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:2106 +name: 5-[(E)-caffeoyl]shikimic acid +is_a: CHEBI:23483 ! cyclohexenecarboxylic acid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:21060 +name: mannose phosphate +is_a: CHEBI:21037 ! aldohexose phosphate + +[Term] +id: CHEBI:21077 +name: D-ribonic acid +is_a: CHEBI:33511 ! ribonic acid +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:21080 +name: ribose diphosphate +is_a: CHEBI:26562 ! ribose phosphate + +[Term] +id: CHEBI:21099 +name: D-tagaturonic acid +is_a: CHEBI:26845 ! tagaturonic acid + +[Term] +id: CHEBI:211 +name: (3S)-3-isopropenyl-6-oxoheptanoate +is_a: CHEBI:64234 ! 3-isopropenyl-6-oxoheptanoate + +[Term] +id: CHEBI:21100 +name: D-altrarate(1-) +is_a: CHEBI:35389 ! altrarate(1-) + +[Term] +id: CHEBI:21101 +name: D-altraric acid +is_a: CHEBI:26847 ! altraric acid + +[Term] +id: CHEBI:21161 +name: GDP-D-mannuronic acid +is_a: CHEBI:21169 ! GDP-sugar + +[Term] +id: CHEBI:21165 +name: GDP-alpha-D-mannosylchitobiosyldiphosphodolichol +is_a: CHEBI:23102 ! chitobiosyldiphosphodolichol +is_a: CHEBI:35244 ! nucleotide-oligosaccharide + +[Term] +id: CHEBI:21167 +name: GDP-hexose +is_a: CHEBI:21169 ! GDP-sugar + +[Term] +id: CHEBI:21168 +name: GDP-mannose +is_a: CHEBI:21167 ! GDP-hexose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:21169 +name: GDP-sugar +is_a: CHEBI:64711 ! purine nucleotide-sugar + +[Term] +id: CHEBI:21188 +name: L-2'-bromophenylalanine +is_a: CHEBI:22933 ! bromophenylalanine + +[Term] +id: CHEBI:21203 +name: L-2-aminohexanoate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:21208 +name: L-3'-bromophenylalanine +is_a: CHEBI:22933 ! bromophenylalanine + +[Term] +id: CHEBI:21212 +name: L-4'-bromophenylalanine +is_a: CHEBI:22933 ! bromophenylalanine + +[Term] +id: CHEBI:21217 +name: L-alaninamide +is_a: CHEBI:22475 ! amino acid amide +is_a: CHEBI:83943 ! L-alanine derivative + +[Term] +id: CHEBI:21239 +name: arogenic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:21241 +name: vitamin C +is_a: CHEBI:27314 ! water-soluble vitamin +is_a: CHEBI:85046 ! skin lightening agent + +[Term] +id: CHEBI:21260 +name: cysteic acid +is_a: CHEBI:22278 ! alanine derivative +is_a: CHEBI:23509 ! cysteine derivative +is_a: CHEBI:37793 ! amino sulfonic acid +is_a: CHEBI:38031 ! carboxyalkanesulfonic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:21282 +name: (3S,5S)-3,5-diaminohexanoate +is_a: CHEBI:59561 ! diamino acid anion + +[Term] +id: CHEBI:21285 +name: erythro-4-hydroxy-L-glutamic acid +is_a: CHEBI:32811 ! 4-hydroxy-L-glutamic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:21288 +name: L-erythrose +is_a: CHEBI:33946 ! erythrose + +[Term] +id: CHEBI:21291 +name: L-fuconate +is_a: CHEBI:24115 ! fuconate + +[Term] +id: CHEBI:21314 +name: glutamyl phosphate +is_a: CHEBI:36951 ! aminoacyl phosphate + +[Term] +id: CHEBI:21332 +name: L-idarate(2-) +is_a: CHEBI:35385 ! idarate(2-) + +[Term] +id: CHEBI:21333 +name: L-idaric acid +is_a: CHEBI:24765 ! idaric acid + +[Term] +id: CHEBI:21336 +name: L-idonic acid +is_a: CHEBI:21337 ! idonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:21337 +name: idonic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:21363 +name: L-methionine sulfone +is_a: CHEBI:132188 ! methionine sulfone +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84121 ! L-methionine derivative +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:21368 +name: L-ornithine derivative +is_a: CHEBI:25718 ! ornithine derivative + +[Term] +id: CHEBI:21374 +name: L-prolinamide +is_a: CHEBI:22475 ! amino acid amide +is_a: CHEBI:46770 ! pyrrolidinecarboxamide +is_a: CHEBI:84186 ! L-proline derivative + +[Term] +id: CHEBI:21376 +name: rhamnonic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:21397 +name: L-altrarate(1-) +is_a: CHEBI:35389 ! altrarate(1-) +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:21398 +name: L-altraric acid +is_a: CHEBI:26847 ! altraric acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:21415 +name: L-tyrosyl ester +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:46874 ! alpha-amino acid ester + +[Term] +id: CHEBI:21437 +name: Mo-molybdopterin cofactor +is_a: CHEBI:25372 ! molybdopterin cofactor +is_a: CHEBI:35202 ! molybdenum coordination entity +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:21494 +name: N-acetoxyarylamine +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:47622 ! acetate ester + +[Term] +id: CHEBI:21498 +name: N-acetyl-7-O-acetylneuraminic acid +is_a: CHEBI:21569 ! N-acetyl-O-acetylneuraminic acid + +[Term] +id: CHEBI:2150 +name: 5beta-dihydrotestosterone +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:85278 ! 17beta-hydroxyandrostan-3-one +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:21500 +name: N-acetyl-9-O-acetylneuraminic acid +is_a: CHEBI:21569 ! N-acetyl-O-acetylneuraminic acid + +[Term] +id: CHEBI:21501 +name: N-acetyl-D-amino acid +is_a: CHEBI:15778 ! N-acyl-D-amino acid +is_a: CHEBI:21575 ! N-acetyl-amino acid + +[Term] +id: CHEBI:21507 +name: N-acetyl-D-galactosaminyl group +is_a: CHEBI:24160 ! galactosaminyl group + +[Term] +id: CHEBI:21509 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine +is_a: CHEBI:51013 ! beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer + +[Term] +id: CHEBI:21519 +name: N-acetyl-D-glucosamine 1-phosphate +is_a: CHEBI:21635 ! N-acyl-D-glucosamine 1-phosphate + +[Term] +id: CHEBI:21524 +name: N-acetyl-D-glucosaminyl groups +is_a: CHEBI:24272 ! glucosaminyl group + +[Term] +id: CHEBI:21545 +name: N-acetyl-L-amino acid +is_a: CHEBI:21575 ! N-acetyl-amino acid +is_a: CHEBI:21644 ! N-acyl-L-amino acid +is_a: CHEBI:22160 ! acetamides + +[Term] +id: CHEBI:21547 +name: N-acetyl-L-aspartic acid +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:21647 ! N-acyl-L-aspartic acid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:21549 +name: N-acetyl-L-glutamate(1-) +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:21557 +name: N-acetyl-L-methionine +is_a: CHEBI:132958 ! N-acetylmethionine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:84121 ! L-methionine derivative +relationship: has_role CHEBI:50733 ! nutraceutical + +[Term] +id: CHEBI:21565 +name: N-acetyl-L-valine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:84129 ! L-valine derivative + +[Term] +id: CHEBI:21569 +name: N-acetyl-O-acetylneuraminic acid +is_a: CHEBI:21652 ! N-acyl-O-acetylneuraminic acid + +[Term] +id: CHEBI:21575 +name: N-acetyl-amino acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:22195 ! acetyl-amino acid +is_a: CHEBI:51569 ! N-acyl-amino acid + +[Term] +id: CHEBI:21601 +name: N-acetyl-D-hexosamine +is_a: CHEBI:7203 ! N-acetylhexosamine + +[Term] +id: CHEBI:21615 +name: N-acetyl-D-muramic acid +is_a: CHEBI:47965 ! N-acetylmuramic acid + +[Term] +id: CHEBI:21619 +name: N-acetylneuraminates +is_a: CHEBI:21663 ! N-acylneuraminates + +[Term] +id: CHEBI:21622 +name: N-acetylneuraminic acids +is_a: CHEBI:16498 ! N-acylneuraminic acid + +[Term] +id: CHEBI:21626 +name: N-acetylphenylalanine +is_a: CHEBI:21575 ! N-acetyl-amino acid +is_a: CHEBI:25985 ! phenylalanine derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35469 ! antidepressant + +[Term] +id: CHEBI:21635 +name: N-acyl-D-glucosamine 1-phosphate +is_a: CHEBI:21637 ! N-acyl-D-glucosamine phosphate + +[Term] +id: CHEBI:21637 +name: N-acyl-D-glucosamine phosphate +is_a: CHEBI:24269 ! glucosamine phosphate + +[Term] +id: CHEBI:21638 +name: N-acylglucosamine +is_a: CHEBI:21656 ! N-acyl-hexosamine +is_a: CHEBI:24271 ! glucosamines + +[Term] +id: CHEBI:2164 +name: 6-acetamido-3-aminohexanoic acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:33706 ! beta-amino acid + +[Term] +id: CHEBI:21644 +name: N-acyl-L-amino acid +is_a: CHEBI:51569 ! N-acyl-amino acid + +[Term] +id: CHEBI:21645 +name: N-acyl-L-arginine +is_a: CHEBI:21644 ! N-acyl-L-amino acid +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:83965 ! L-arginine derivative + +[Term] +id: CHEBI:21647 +name: N-acyl-L-aspartic acid +is_a: CHEBI:21654 ! N-acyl-aspartic acid +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:83978 ! L-aspartic acid derivative + +[Term] +id: CHEBI:2165 +name: 6-acetamido-3-oxohexanoic acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:21650 +name: N-acyl-L-glutamic acid +is_a: CHEBI:21658 ! N-acylglutamic acid +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:83982 ! L-glutamic acid derivative + +[Term] +id: CHEBI:21652 +name: N-acyl-O-acetylneuraminic acid +is_a: CHEBI:26667 ! sialic acid + +[Term] +id: CHEBI:21654 +name: N-acyl-aspartic acid +is_a: CHEBI:22661 ! aspartic acid derivative +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:21655 +name: N-acylgalactosamine +is_a: CHEBI:21656 ! N-acyl-hexosamine +is_a: CHEBI:24156 ! galactosamine + +[Term] +id: CHEBI:21656 +name: N-acyl-hexosamine +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:21658 +name: N-acylglutamic acid +is_a: CHEBI:24315 ! glutamic acid derivative + +[Term] +id: CHEBI:21662 +name: N-acylneuraminic acid phosphate +is_a: CHEBI:22529 ! amino sugar phosphate + +[Term] +id: CHEBI:21663 +name: N-acylneuraminates +is_a: CHEBI:25506 ! neuraminates + +[Term] +id: CHEBI:21668 +name: N-alanyl-glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine + +[Term] +id: CHEBI:21672 +name: N-amidino-amino acid +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:21675 +name: N-asparaginyl-glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine + +[Term] +id: CHEBI:21676 +name: N-aspartyl-glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine + +[Term] +id: CHEBI:21681 +name: N-benzoyl-D-arginines +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:83966 ! D-arginine derivative + +[Term] +id: CHEBI:21686 +name: N-carbamoyl-L-amino acid +is_a: CHEBI:21689 ! N-carbamoyl-amino acid + +[Term] +id: CHEBI:21689 +name: N-carbamoyl-amino acid +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:21698 +name: N-cysteinyl-glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine + +[Term] +id: CHEBI:21731 +name: N-glycosyl compound +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:63161 ! glycosyl compound +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:21732 +name: N-glycyl-glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine + +[Term] +id: CHEBI:21745 +name: N-(long-chain-fatty-acyl)-L-glutamic acid +is_a: CHEBI:137550 ! N-(fatty acyl)-L-alpha-amino acid +is_a: CHEBI:21650 ! N-acyl-L-glutamic acid + +[Term] +id: CHEBI:21752 +name: N-methyl-L-alpha-amino acid +is_a: CHEBI:21760 ! N-methyl-amino acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:21760 +name: N-methyl-amino acid +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:21763 +name: N-methylethanolamine +is_a: CHEBI:23981 ! ethanolamines + +[Term] +id: CHEBI:21766 +name: N-methylglycines +is_a: CHEBI:66933 ! N-alkylglycine + +[Term] +id: CHEBI:21787 +name: N-seryl-glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine + +[Term] +id: CHEBI:2179 +name: D-fucopyranose +is_a: CHEBI:28847 ! D-fucose +is_a: CHEBI:48206 ! fucopyranose + +[Term] +id: CHEBI:21794 +name: N-sulfoglucosamine +is_a: CHEBI:21638 ! N-acylglucosamine + +[Term] +id: CHEBI:21805 +name: N(2')-acetylgentamycin +is_a: CHEBI:22200 ! acetylgentamycin + +[Term] +id: CHEBI:21806 +name: N(2),N(5)-diacyl-L-ornithine +is_a: CHEBI:21368 ! L-ornithine derivative + +[Term] +id: CHEBI:2181 +name: L-fucopyranose +is_a: CHEBI:18287 ! L-fucose +is_a: CHEBI:48206 ! fucopyranose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:21815 +name: N2-acyl-L-ornithine +is_a: CHEBI:21368 ! L-ornithine derivative + +[Term] +id: CHEBI:21816 +name: N(2)-glutamino group +is_a: CHEBI:22332 ! alkylamino group + +[Term] +id: CHEBI:21826 +name: N(3')-acetylgentamycin +is_a: CHEBI:22200 ! acetylgentamycin + +[Term] +id: CHEBI:21836 +name: N(4)-glycosyl-L-asparagine +is_a: CHEBI:35269 ! N-glycosyl amino acid +is_a: CHEBI:52987 ! L-asparagine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:21844 +name: N(5)-alkyl-L-glutamine +is_a: CHEBI:24317 ! L-glutamine derivative + +[Term] +id: CHEBI:21858 +name: hypusine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:21860 +name: L-pyrrolysine +is_a: CHEBI:16232 ! N(6)-acyl-L-lysine +is_a: CHEBI:83813 ! proteinogenic amino acid +is_a: CHEBI:91273 ! pyrrolysine + +[Term] +id: CHEBI:21865 +name: N(6)-dimethylallyladenosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:21911 +name: N(alpha)-methyl-L-histidines +is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid + +[Term] +id: CHEBI:21949 +name: O-butanoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:7676 ! O-butanoylcarnitine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:21957 +name: O-glycosyl-L-serine +is_a: CHEBI:35272 ! O-glycosyl amino acid +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:21958 +name: O-glycosyl-L-threonine +is_a: CHEBI:35272 ! O-glycosyl amino acid +is_a: CHEBI:84189 ! L-threonine derivative + +[Term] +id: CHEBI:21968 +name: O-phosphoamino acid +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:26051 ! phosphoamino acid +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:21969 +name: O-phosphorylhomoserine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:24619 ! homoserine derivative + +[Term] +id: CHEBI:21976 +name: o-succinylhomoserine +is_a: CHEBI:24619 ! homoserine derivative + +[Term] +id: CHEBI:21977 +name: O-(N-acetylglucosamine-1-phosphoryl)-L-serine +is_a: CHEBI:21635 ! N-acyl-D-glucosamine 1-phosphate +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:21990 +name: O(4')-glycosyl-L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:35272 ! O-glycosyl amino acid + +[Term] +id: CHEBI:21993 +name: O(4)-glycosyl-L-hydroxyproline +is_a: CHEBI:35272 ! O-glycosyl amino acid + +[Term] +id: CHEBI:22020 +name: S-(ADP-ribosyl)-L-cysteine +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:22043 +name: S-farnesyl-L-cysteine +is_a: CHEBI:13796 ! S-polyprenyl-L-cysteine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:22046 +name: S-geranylgeranyl-L-cysteine +is_a: CHEBI:13796 ! S-polyprenyl-L-cysteine + +[Term] +id: CHEBI:22063 +name: sulfoxide +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:22064 +name: S-palmitoyl amino acid +is_a: CHEBI:25838 ! palmitoyl amino acid + +[Term] +id: CHEBI:22065 +name: S-palmitoyl-L-cysteine +is_a: CHEBI:134526 ! S-(long-chain fatty acyl)-L-cysteine +is_a: CHEBI:22064 ! S-palmitoyl amino acid +is_a: CHEBI:25840 ! palmitoyl-L-cysteine + +[Term] +id: CHEBI:2208 +name: purine-6-thiol +is_a: CHEBI:82711 ! aryl thiol +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:22080 +name: TDP-sugar +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar + +[Term] +id: CHEBI:22099 +name: UDP-D-galactosamine +is_a: CHEBI:16846 ! UDP-alpha-D-galactosamine + +[Term] +id: CHEBI:22102 +name: UDP-D-glucosamine +is_a: CHEBI:13497 ! UDP-alpha-D-glucosamine + +[Term] +id: CHEBI:22119 +name: UDP-N-acetylmannosaminouronic acid +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:221278 +name: (R)-nipecotic acid +is_a: CHEBI:116931 ! nipecotic acid + +[Term] +id: CHEBI:22144 +name: abscisic aldehyde +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:22151 +name: (+)-abscisic acid beta-D-glucopyranosyl ester +is_a: CHEBI:62436 ! (+)-abscisic acid D-glucopyranosyl ester + +[Term] +id: CHEBI:22152 +name: 2-cis-abscisic acid +is_a: CHEBI:62431 ! abscisic acids +relationship: has_role CHEBI:73191 ! abscisic acid receptor agonist + +[Term] +id: CHEBI:22153 +name: acaricide +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:22154 +name: acenaphthene +is_a: CHEBI:22156 ! acenaphthenes + +[Term] +id: CHEBI:22156 +name: acenaphthenes +is_a: CHEBI:38033 ! acenaphthylenes + +[Term] +id: CHEBI:22160 +name: acetamides +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:22177 +name: acetohydroxamic acids +is_a: CHEBI:24650 ! hydroxamic acid + +[Term] +id: CHEBI:22179 +name: acetohydroximates +is_a: CHEBI:22177 ! acetohydroxamic acids + +[Term] +id: CHEBI:22180 +name: EC 2.2.1.6 (acetolactate synthase) inhibitor +is_a: CHEBI:24527 ! herbicide +is_a: CHEBI:76876 ! EC 2.2.1.* (transketolase/transaldolase) inhibitor + +[Term] +id: CHEBI:22187 +name: acetophenones +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:22191 +name: acetyl phosphate(2-) +is_a: CHEBI:59918 ! acyl monophosphate(2-) +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:22193 +name: acetyl-L-lysine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:25095 ! L-lysine derivative + +[Term] +id: CHEBI:22194 +name: acetyl-L-serine +is_a: CHEBI:22195 ! acetyl-amino acid +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:22195 +name: acetyl-amino acid +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:22198 +name: acetylcysteine +is_a: CHEBI:22195 ! acetyl-amino acid +is_a: CHEBI:23509 ! cysteine derivative + +[Term] +id: CHEBI:2220 +name: 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:22200 +name: acetylgentamycin +is_a: CHEBI:17833 ! gentamycin + +[Term] +id: CHEBI:22201 +name: acetylkanamycin +is_a: CHEBI:24951 ! kanamycins + +[Term] +id: CHEBI:22204 +name: acetylspermidine +is_a: CHEBI:22160 ! acetamides + +[Term] +id: CHEBI:22205 +name: acetylspermine +is_a: CHEBI:26735 ! substituted spermine + +[Term] +id: CHEBI:22210 +name: aconitate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:22211 +name: aconitic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:22213 +name: acridines +is_a: CHEBI:39206 ! dibenzopyridine + +[Term] +id: CHEBI:22216 +name: acrylamides +is_a: CHEBI:51751 ! enamide + +[Term] +id: CHEBI:222169 +name: (S)-nipecotic acid +is_a: CHEBI:116931 ! nipecotic acid + +[Term] +id: CHEBI:22221 +name: acyl group +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:22229 +name: acylglutathione +is_a: CHEBI:24337 ! glutathione derivative + +[Term] +id: CHEBI:22231 +name: acylglycerone phosphate +is_a: CHEBI:24356 ! glycerone phosphates +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:22235 +name: adamantanones +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51339 ! adamantanes + +[Term] +id: CHEBI:22251 +name: adenosine bisphosphate +is_a: CHEBI:22256 ! adenosine phosphate +is_a: CHEBI:61078 ! purine nucleoside bisphosphate +is_a: CHEBI:61079 ! ribonucleoside bisphosphate + +[Term] +id: CHEBI:22256 +name: adenosine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate +is_a: CHEBI:61296 ! adenyl ribonucleotide + +[Term] +id: CHEBI:22260 +name: adenosines +is_a: CHEBI:26399 ! purine ribonucleoside + +[Term] +id: CHEBI:22266 +name: adipate semialdehyde +is_a: CHEBI:26643 ! aldehydic acid + +[Term] +id: CHEBI:22271 +name: aflatoxin +is_a: CHEBI:48210 ! cyclopentafurofurochromene +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:22278 +name: alanine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:22289 +name: aldaric acid anion +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:2229 +name: 6-phospho-2-dehydro-D-gluconic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:22290 +name: aldaric acid +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:22292 +name: alditol 1-phosphate +is_a: CHEBI:22297 ! alditol phosphate + +[Term] +id: CHEBI:22294 +name: alditol 4-phosphate +is_a: CHEBI:22297 ! alditol phosphate + +[Term] +id: CHEBI:22295 +name: alditol 5-phosphate +is_a: CHEBI:22297 ! alditol phosphate + +[Term] +id: CHEBI:22297 +name: alditol phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:63423 ! alditol derivative + +[Term] +id: CHEBI:22299 +name: aldonate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:22300 +name: aldonic acid phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:22301 +name: aldonic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33720 ! carbohydrate acid + +[Term] +id: CHEBI:22302 +name: aldonolactone +is_a: CHEBI:37421 ! carbohydrate lactone + +[Term] +id: CHEBI:22307 +name: aldoxime +is_a: CHEBI:25750 ! oxime + +[Term] +id: CHEBI:22313 +name: alkaline earth metal atom +is_a: CHEBI:33318 ! main group element atom +is_a: CHEBI:33521 ! metal atom +is_a: CHEBI:33559 ! s-block element atom + +[Term] +id: CHEBI:22314 +name: alkali metal atom +is_a: CHEBI:33318 ! main group element atom +is_a: CHEBI:33521 ! metal atom +is_a: CHEBI:33559 ! s-block element atom + +[Term] +id: CHEBI:22315 +name: alkaloid +is_a: CHEBI:35352 ! organonitrogen compound +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:22319 +name: alkanesulfinate +is_a: CHEBI:37785 ! organosulfinate oxoanion +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:22323 +name: alkyl group +is_a: CHEBI:33248 ! hydrocarbyl group + +[Term] +id: CHEBI:22324 +name: alkyl phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:22326 +name: S-alkylsulfenic acid +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:51334 ! SO-thioperoxol + +[Term] +id: CHEBI:22327 +name: aliphatic sulfide +is_a: CHEBI:16385 ! organic sulfide + +[Term] +id: CHEBI:22329 +name: alkyl-sn-glycerol 3-phosphate +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates + +[Term] +id: CHEBI:22331 +name: alkylamines +is_a: CHEBI:32952 ! amine + +[Term] +id: CHEBI:22332 +name: alkylamino group +is_a: CHEBI:33456 ! organoheteryl group + +[Term] +id: CHEBI:22333 +name: alkylating agent +is_a: CHEBI:25435 ! mutagen + +[Term] +id: CHEBI:22335 +name: alkylglycerone phosphate +is_a: CHEBI:24356 ! glycerone phosphates +is_a: CHEBI:64611 ! ether lipid + +[Term] +id: CHEBI:22339 +name: alkyne +is_a: CHEBI:33650 ! acyclic acetylene + +[Term] +id: CHEBI:22340 +name: all-cis-7,10,13-hexadecatrienoic acid +is_a: CHEBI:24545 ! hexadecatrienoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid + +[Term] +id: CHEBI:22359 +name: alloisoleucine +is_a: CHEBI:38264 ! 2-amino-3-methylpentanoic acid + +[Term] +id: CHEBI:22385 +name: alpha-D-glucan +is_a: CHEBI:37163 ! glucan + +[Term] +id: CHEBI:22390 +name: alpha-D-glucoside +is_a: CHEBI:35436 ! D-glucoside +is_a: CHEBI:60979 ! alpha-glucoside + +[Term] +id: CHEBI:224037 +name: 3-sulfinato-L-alaninate(2-) +is_a: CHEBI:22319 ! alkanesulfinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:22423 +name: alpha-L-fucosyl-(1->2)-D-galactose +is_a: CHEBI:35317 ! glycosylgalactose + +[Term] +id: CHEBI:224366 +name: tert-butylammonium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:22440 +name: alpha-N-substituted L-arginine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:83965 ! L-arginine derivative + +[Term] +id: CHEBI:22445 +name: alpha-aspartyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group + +[Term] +id: CHEBI:22450 +name: (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one +is_a: CHEBI:12336 ! alpha-cyclopiazonic acids + +[Term] +id: CHEBI:22453 +name: alpha-glutamyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group + +[Term] +id: CHEBI:22455 +name: alpha-hydroxynitrile +is_a: CHEBI:24730 ! hydroxynitrile + +[Term] +id: CHEBI:22469 +name: alpha-terpineol +is_a: CHEBI:26876 ! terpineol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:2247 +name: 7,8-diaminononanoic acid +is_a: CHEBI:52448 ! amino monocarboxylic acid +is_a: CHEBI:59650 ! amino fatty acid + +[Term] +id: CHEBI:22470 +name: alpha-tocopherol +is_a: CHEBI:27013 ! tocopherol +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77962 ! food antioxidant + +[Term] +id: CHEBI:22475 +name: amino acid amide +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:22478 +name: amino alcohol +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:22479 +name: amino cyclitol glycoside +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:22480 +name: amino disaccharide +is_a: CHEBI:22483 ! amino oligosaccharide +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:22483 +name: amino oligosaccharide +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:22484 +name: galactosamine oligosaccharide +is_a: CHEBI:22483 ! amino oligosaccharide + +[Term] +id: CHEBI:22485 +name: glucosamine oligosaccharide +is_a: CHEBI:22483 ! amino oligosaccharide + +[Term] +id: CHEBI:22487 +name: alpha-aminoacyl group +is_a: CHEBI:27207 ! univalent carboacyl group + +[Term] +id: CHEBI:22490 +name: aminoadipate semialdehyde +is_a: CHEBI:22266 ! adipate semialdehyde + +[Term] +id: CHEBI:22492 +name: amino aldehyde +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:22493 +name: aminobenzenesulfonate +is_a: CHEBI:22713 ! arenesulfonate oxoanion +is_a: CHEBI:48975 ! substituted aniline + +[Term] +id: CHEBI:22494 +name: aminobenzoate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:22495 +name: aminobenzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:33856 ! aromatic amino acid + +[Term] +id: CHEBI:22496 +name: aminobiphenyl +is_a: CHEBI:22888 ! biphenyls +is_a: CHEBI:50471 ! primary arylamine + +[Term] +id: CHEBI:22497 +name: aminobutanal +is_a: CHEBI:22939 ! butanals + +[Term] +id: CHEBI:22500 +name: aminobutanoyl-CoA +is_a: CHEBI:22954 ! butanoyl-CoAs + +[Term] +id: CHEBI:22501 +name: aminodiol +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:22506 +name: aminoglycan +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:65212 ! polysaccharide derivative + +[Term] +id: CHEBI:22507 +name: aminoglycoside antibiotic +is_a: CHEBI:23007 ! carbohydrate-containing antibiotic +is_a: CHEBI:47779 ! aminoglycoside + +[Term] +id: CHEBI:2251 +name: 7,8-dihydromethanopterin +is_a: CHEBI:37669 ! methanopterins + +[Term] +id: CHEBI:22512 +name: aminoimidazole +is_a: CHEBI:24780 ! imidazoles + +[Term] +id: CHEBI:225237 +name: 2-phenylethanaminium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:225238 +name: benzylaminium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:22527 +name: aminopurine +is_a: CHEBI:26401 ! purines + +[Term] +id: CHEBI:22529 +name: amino sugar phosphate +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:33447 ! phospho sugar + +[Term] +id: CHEBI:22532 +name: aminouracil +is_a: CHEBI:38338 ! aminopyrimidine + +[Term] +id: CHEBI:22542 +name: androstane-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:2255 +name: 7beta-aminocephalosporanic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:22557 +name: anhydrohexose +is_a: CHEBI:22558 ! anhydro sugar + +[Term] +id: CHEBI:22558 +name: anhydro sugar +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:22562 +name: anilines +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:33860 ! aromatic amine + +[Term] +id: CHEBI:22563 +name: anion +is_a: CHEBI:24870 ! ion + +[Term] +id: CHEBI:22565 +name: ansamycin +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:51026 ! macrocycle + +[Term] +id: CHEBI:22569 +name: anthocyanidin glucoside +is_a: CHEBI:71583 ! anthocyanidin glycoside + +[Term] +id: CHEBI:22580 +name: anthraquinone +is_a: CHEBI:46955 ! anthracenes +is_a: CHEBI:51285 ! acenoquinone + +[Term] +id: CHEBI:22583 +name: antifeedant +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:22584 +name: antimycin A +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:24079 ! formamides +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:22586 +name: antioxidant +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:22587 +name: antiviral agent +is_a: CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:22590 +name: arabinan +is_a: CHEBI:37164 ! homopolysaccharide + +[Term] +id: CHEBI:22593 +name: arabinitol phosphate +is_a: CHEBI:25898 ! pentitol phosphate + +[Term] +id: CHEBI:22595 +name: arabinonate +is_a: CHEBI:33764 ! arabinonates + +[Term] +id: CHEBI:22598 +name: arabinonolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:22599 +name: arabinose +is_a: CHEBI:33916 ! aldopentose +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:2260 +name: 7-deoxyloganic acid +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:38606 ! cyclopentapyran +is_a: CHEBI:50563 ! iridoid monoterpenoid +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:72293 ! monoterpene glycoside +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:22600 +name: arabinose phosphate +is_a: CHEBI:25900 ! aldopentose phosphate + +[Term] +id: CHEBI:22601 +name: arabinoside +is_a: CHEBI:35312 ! pentoside + +[Term] +id: CHEBI:22603 +name: arabinoxylans +is_a: CHEBI:37166 ! xylan + +[Term] +id: CHEBI:22605 +name: arabinitol +is_a: CHEBI:25899 ! pentitol +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:22617 +name: arginine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:22629 +name: arsenate ion +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:22632 +name: arsenic molecular entity +is_a: CHEBI:33302 ! pnictogen molecular entity +relationship: has_part CHEBI:27563 ! arsenic atom + +[Term] +id: CHEBI:22633 +name: arsenite ion +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:22638 +name: organoarsonic acid +is_a: CHEBI:33406 ! organoarsenic compound + +[Term] +id: CHEBI:22644 +name: arylalkylamine +is_a: CHEBI:22331 ! alkylamines + +[Term] +id: CHEBI:22645 +name: arenecarboxamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:62733 ! aromatic amide + +[Term] +id: CHEBI:22648 +name: arylmercury compound +is_a: CHEBI:25706 ! organomercury compound + +[Term] +id: CHEBI:22651 +name: ascorbate +is_a: CHEBI:24961 ! ketoaldonate +relationship: has_role CHEBI:22586 ! antioxidant + +[Term] +id: CHEBI:22652 +name: ascorbic acid +is_a: CHEBI:24963 ! ketoaldonic acid + +[Term] +id: CHEBI:22653 +name: asparagine +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +relationship: has_part CHEBI:50330 ! 2-amino-2-oxoethyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:22654 +name: asparagine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:22656 +name: asparaginyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group + +[Term] +id: CHEBI:22658 +name: aspartate family amino acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid + +[Term] +id: CHEBI:22660 +name: aspartic acid +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +relationship: has_part CHEBI:41402 ! carboxymethyl group +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:22661 +name: aspartic acid derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:22669 +name: aspulvinone +is_a: CHEBI:50523 ! butenolide +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:22676 +name: auxin +is_a: CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:22682 +name: azobenzenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:37533 ! azo compound + +[Term] +id: CHEBI:22691 +name: barbiturate anion +is_a: CHEBI:22693 ! barbiturates + +[Term] +id: CHEBI:22693 +name: barbiturates +is_a: CHEBI:38337 ! pyrimidone +relationship: has_role CHEBI:50268 ! GABA modulator + +[Term] +id: CHEBI:22695 +name: base +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:22698 +name: benzaldehydes +is_a: CHEBI:33855 ! arenecarbaldehyde + +[Term] +id: CHEBI:227 +name: (-)-cis-carveol +is_a: CHEBI:23046 ! carveol + +[Term] +id: CHEBI:22702 +name: benzamides +is_a: CHEBI:22645 ! arenecarboxamide + +[Term] +id: CHEBI:22706 +name: benzenetetrol +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:22707 +name: benzenetriol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:22712 +name: benzenes +is_a: CHEBI:33836 ! benzenoid aromatic compound + +[Term] +id: CHEBI:22713 +name: arenesulfonate oxoanion +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:22715 +name: benzimidazoles +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:22718 +name: benzoates +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:22720 +name: benzodiazepine +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound +relationship: has_role CHEBI:50268 ! GABA modulator + +[Term] +id: CHEBI:22723 +name: benzoic acids +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:33859 ! aromatic carboxylic acid + +[Term] +id: CHEBI:22726 +name: benzophenones +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:22727 +name: benzopyran +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:22728 +name: benzopyrrole +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38180 ! polycyclic heteroarene + +[Term] +id: CHEBI:22729 +name: benzoquinones +is_a: CHEBI:36141 ! quinone + +[Term] +id: CHEBI:22730 +name: benzosemiquinones +is_a: CHEBI:15817 ! semiquinone + +[Term] +id: CHEBI:22731 +name: 3-oxo-3-phenylpropionate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:22736 +name: benzoyl-CoAs +is_a: CHEBI:61940 ! aroyl-CoA + +[Term] +id: CHEBI:22743 +name: benzyl alcohols +is_a: CHEBI:33854 ! aromatic alcohol + +[Term] +id: CHEBI:22744 +name: benzyl group +is_a: CHEBI:33452 ! benzylic group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:22746 +name: 2-benzylsuccinyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA + +[Term] +id: CHEBI:22748 +name: benzyl 2-methyl-3-hydroxybutanoate +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:90628 ! benzyl ester + +[Term] +id: CHEBI:22750 +name: benzylisoquinoline alkaloid +is_a: CHEBI:24921 ! isoquinoline alkaloid + +[Term] +id: CHEBI:22754 +name: berberine alkaloid +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:38512 ! dibenzoquinolizine + +[Term] +id: CHEBI:22778 +name: beta-D-galactosyl groups +is_a: CHEBI:24164 ! galactosyl group + +[Term] +id: CHEBI:22788 +name: beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucosylceramide +is_a: CHEBI:23075 ! glycotetraosylceramide + +[Term] +id: CHEBI:22798 +name: beta-D-glucoside +is_a: CHEBI:35436 ! D-glucoside +is_a: CHEBI:60980 ! beta-glucoside + +[Term] +id: CHEBI:228 +name: (4R,7R)-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:50238 ! 4-isopropenyl-7-methyloxepan-2-one + +[Term] +id: CHEBI:22801 +name: beta-D-glucosyl-N-acylsphingosine +is_a: CHEBI:18368 ! D-glucosyl-N-acylsphingosine +is_a: CHEBI:83264 ! beta-D-glucosylceramide + +[Term] +id: CHEBI:22823 +name: beta-alanine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative + +[Term] +id: CHEBI:22838 +name: beta-cyclopiazonic acid +is_a: CHEBI:38615 ! cyclopiazonic acid + +[Term] +id: CHEBI:22860 +name: amino-acid betaine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:22866 +name: bilanes +is_a: CHEBI:25046 ! linear tetrapyrrole + +[Term] +id: CHEBI:22869 +name: bilins +is_a: CHEBI:25046 ! linear tetrapyrrole + +[Term] +id: CHEBI:22872 +name: (glucosyluronic acid)bilirubin +is_a: CHEBI:33886 ! glucuronic acids + +[Term] +id: CHEBI:2288 +name: 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:22881 +name: biopterins +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:22888 +name: biphenyls +is_a: CHEBI:33836 ! benzenoid aromatic compound +is_a: CHEBI:36820 ! ring assembly +is_a: CHEBI:64459 ! biaryl + +[Term] +id: CHEBI:22894 +name: bis(molybdopterin guanine dinucleotide)molybdenum +is_a: CHEBI:21437 ! Mo-molybdopterin cofactor +is_a: CHEBI:37146 ! molybdopterin dinucleotide + +[Term] +id: CHEBI:22899 +name: bisdechlorogeodin +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:37948 ! oxaspiro compound +is_a: CHEBI:38830 ! 1-benzofurans +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:2290 +name: 7alpha-hydroxy-5beta-cholestan-3-one +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:22901 +name: bisphenol +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:22902 +name: bisphosphoglyceric acid +is_a: CHEBI:24346 ! phosphoglyceric acid + +[Term] +id: CHEBI:22905 +name: blasticidin +is_a: CHEBI:26440 ! pyrimidine nucleoside +relationship: has_role CHEBI:25605 ! nucleoside antibiotic + +[Term] +id: CHEBI:22907 +name: bleomycin +is_a: CHEBI:23089 ! chelate-forming peptide +is_a: CHEBI:24396 ! glycopeptide +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:22908 +name: borate +is_a: CHEBI:22909 ! borate ion + +[Term] +id: CHEBI:22909 +name: borate ion +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:33619 ! boron oxoanion + +[Term] +id: CHEBI:22912 +name: bornane monoterpenoid +is_a: CHEBI:25409 ! monoterpenoid + +[Term] +id: CHEBI:22916 +name: boron molecular entity +is_a: CHEBI:33581 ! boron group molecular entity +relationship: has_part CHEBI:27560 ! boron atom + +[Term] +id: CHEBI:22917 +name: phytogenic insecticide +is_a: CHEBI:24852 ! insecticide + +[Term] +id: CHEBI:22918 +name: branched-chain amino acid +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:22921 +name: brassinosteroid +is_a: CHEBI:26124 ! phytosteroid + +[Term] +id: CHEBI:22926 +name: bromohydrocarbon +is_a: CHEBI:24472 ! halohydrocarbon +is_a: CHEBI:37141 ! organobromine compound + +[Term] +id: CHEBI:22927 +name: bromine atom +is_a: CHEBI:24473 ! halogen +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:22928 +name: bromine molecular entity +is_a: CHEBI:24471 ! halogen molecular entity +relationship: has_part CHEBI:22927 ! bromine atom + +[Term] +id: CHEBI:22929 +name: bromoalkane +is_a: CHEBI:24469 ! haloalkane +is_a: CHEBI:37141 ! organobromine compound + +[Term] +id: CHEBI:22930 +name: bromoamino acid +is_a: CHEBI:24470 ! haloamino acid +is_a: CHEBI:37158 ! bromocarboxylic acid + +[Term] +id: CHEBI:22933 +name: bromophenylalanine +is_a: CHEBI:22930 ! bromoamino acid +is_a: CHEBI:25985 ! phenylalanine derivative + +[Term] +id: CHEBI:22939 +name: butanals +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:22944 +name: butanediols +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:22950 +name: butan-4-olide +is_a: CHEBI:37581 ! gamma-lactone +is_a: CHEBI:47016 ! tetrahydrofuranone + +[Term] +id: CHEBI:22951 +name: butanone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:22954 +name: butanoyl-CoAs +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:22958 +name: butenedioic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid + +[Term] +id: CHEBI:22959 +name: butenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:22961 +name: butenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15469 ! alk-2-enoyl-CoA + +[Term] +id: CHEBI:22965 +name: butanamides +is_a: CHEBI:29348 ! fatty amide + +[Term] +id: CHEBI:22967 +name: butyn-1-ols +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:22968 +name: butynal +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:22970 +name: butynediol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:22975 +name: cadinane sesquiterpenoid +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:22976 +name: cadinene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:22984 +name: calcium atom +is_a: CHEBI:22313 ! alkaline earth metal atom +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:22985 +name: calcium molecular entity +is_a: CHEBI:33299 ! alkaline earth molecular entity +relationship: has_part CHEBI:22984 ! calcium atom + +[Term] +id: CHEBI:22986 +name: calcium ionophore +is_a: CHEBI:24869 ! ionophore + +[Term] +id: CHEBI:22990 +name: camalexin +is_a: CHEBI:24797 ! indole phytoalexin +is_a: CHEBI:38418 ! 1,3-thiazoles +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:22998 +name: canadine +is_a: CHEBI:22754 ! berberine alkaloid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:23000 +name: caprolactams +is_a: CHEBI:24995 ! lactam + +[Term] +id: CHEBI:23003 +name: carbamate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:23004 +name: carbamoyl group +is_a: CHEBI:27207 ! univalent carboacyl group + +[Term] +id: CHEBI:23007 +name: carbohydrate-containing antibiotic +is_a: CHEBI:63299 ! carbohydrate derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:23012 +name: carbon disulfide +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:23014 +name: carbon oxide +is_a: CHEBI:25701 ! organic oxide +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:23016 +name: carbonates +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:23018 +name: EC 4.2.1.1 (carbonic anhydrase) inhibitor +is_a: CHEBI:76907 ! EC 4.2.1.* (hydro-lyases) inhibitor + +[Term] +id: CHEBI:23019 +name: carbonyl group +is_a: CHEBI:51422 ! organodiyl group + +[Term] +id: CHEBI:23022 +name: carboxy-2-hydroxymuconate semialdehyde +is_a: CHEBI:25422 ! muconate semialdehyde + +[Term] +id: CHEBI:23041 +name: carotenal +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:27325 ! xanthophyll + +[Term] +id: CHEBI:23042 +name: carotene +is_a: CHEBI:35193 ! tetraterpene + +[Term] +id: CHEBI:23043 +name: epoxycarotenoid +is_a: CHEBI:27325 ! xanthophyll +is_a: CHEBI:32955 ! epoxide + +[Term] +id: CHEBI:23044 +name: carotenoid +is_a: CHEBI:26935 ! tetraterpenoid + +[Term] +id: CHEBI:23045 +name: carotenol +is_a: CHEBI:27325 ! xanthophyll + +[Term] +id: CHEBI:23046 +name: carveol +is_a: CHEBI:25040 ! limonene monoterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:23048 +name: carvones +is_a: CHEBI:25186 ! p-menthane monoterpenoid + +[Term] +id: CHEBI:23053 +name: catechin +is_a: CHEBI:72010 ! hydroxyflavan + +[Term] +id: CHEBI:23064 +name: cephalosporanic acid +is_a: CHEBI:23066 ! cephalosporin + +[Term] +id: CHEBI:23066 +name: cephalosporin +is_a: CHEBI:38311 ! cephem +relationship: has_role CHEBI:88188 ! drug allergen + +[Term] +id: CHEBI:23073 +name: glycopentaosylceramide +is_a: CHEBI:36520 ! oligoglycosylceramide + +[Term] +id: CHEBI:23075 +name: glycotetraosylceramide +is_a: CHEBI:36520 ! oligoglycosylceramide + +[Term] +id: CHEBI:23079 +name: cerebroside +is_a: CHEBI:17761 ! ceramide +is_a: CHEBI:25513 ! neutral glycosphingolipid + +[Term] +id: CHEBI:23084 +name: cetraxates +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:50754 ! cyclohexanecarboxylate ester +relationship: has_role CHEBI:23888 ! drug + +[Term] +id: CHEBI:23086 +name: chalcones +is_a: CHEBI:51689 ! enone +is_a: CHEBI:72544 ! flavonoids +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:23089 +name: chelate-forming peptide +is_a: CHEBI:25903 ! peptide antibiotic +relationship: has_role CHEBI:38161 ! chelator + +[Term] +id: CHEBI:23098 +name: chiro-inositol +is_a: CHEBI:24848 ! inositol + +[Term] +id: CHEBI:23101 +name: N,N'-diacetylchitobioses +is_a: CHEBI:22480 ! amino disaccharide + +[Term] +id: CHEBI:23102 +name: chitobiosyldiphosphodolichol +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide +is_a: CHEBI:23875 ! dolichol phosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:231086 +name: Octadec-9-enoic acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:2311 +name: Oplophorus luciferin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37847 ! imidazopyrazine +relationship: has_role CHEBI:25078 ! luciferin + +[Term] +id: CHEBI:23114 +name: chloride salt +is_a: CHEBI:23117 ! chlorine molecular entity +is_a: CHEBI:33958 ! halide salt +relationship: has_part CHEBI:17996 ! chloride + +[Term] +id: CHEBI:23115 +name: chlorohydrocarbon +is_a: CHEBI:24472 ! halohydrocarbon +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:23116 +name: chlorine atom +is_a: CHEBI:24473 ! halogen +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:23117 +name: chlorine molecular entity +is_a: CHEBI:24471 ! halogen molecular entity +relationship: has_part CHEBI:23116 ! chlorine atom + +[Term] +id: CHEBI:23123 +name: chloroacetate +is_a: CHEBI:85638 ! haloacetate(1-) + +[Term] +id: CHEBI:23127 +name: chloroalanine +is_a: CHEBI:22278 ! alanine derivative +is_a: CHEBI:23129 ! chloroamino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:23128 +name: chloroalkane +is_a: CHEBI:24469 ! haloalkane +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:23129 +name: chloroamino acid +is_a: CHEBI:24470 ! haloamino acid +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:23130 +name: chloroaniline +is_a: CHEBI:23132 ! chlorobenzenes +is_a: CHEBI:48975 ! substituted aniline + +[Term] +id: CHEBI:23132 +name: chlorobenzenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:23133 +name: chlorobenzoate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:23134 +name: chlorobenzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:36685 ! chlorocarboxylic acid + +[Term] +id: CHEBI:23135 +name: chlorobenzophenone +is_a: CHEBI:22726 ! benzophenones +is_a: CHEBI:23132 ! chlorobenzenes + +[Term] +id: CHEBI:23136 +name: chlorobenzoyl-CoA +is_a: CHEBI:22736 ! benzoyl-CoAs +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:62048 ! haloacyl-CoA + +[Term] +id: CHEBI:23138 +name: chlorocatechol +is_a: CHEBI:23132 ! chlorobenzenes +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:23140 +name: chlorodienelactone +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:23141 +name: chloroethanol +is_a: CHEBI:23982 ! ethanols +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:23142 +name: chloroethenes +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:36387 ! chloroalkene +is_a: CHEBI:51316 ! haloethene + +[Term] +id: CHEBI:23147 +name: chlorohydroquinones +is_a: CHEBI:23132 ! chlorobenzenes +is_a: CHEBI:24646 ! hydroquinones + +[Term] +id: CHEBI:23148 +name: chloromethanes +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:23128 ! chloroalkane +is_a: CHEBI:39279 ! halomethane + +[Term] +id: CHEBI:23150 +name: chlorophenol +is_a: CHEBI:23132 ! chlorobenzenes +is_a: CHEBI:38856 ! halophenol + +[Term] +id: CHEBI:23151 +name: chlorophenoxyacetate anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:23152 +name: chlorophenoxyacetic acid +is_a: CHEBI:23132 ! chlorobenzenes +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:23154 +name: chlorophenylethane +is_a: CHEBI:23115 ! chlorohydrocarbon + +[Term] +id: CHEBI:23155 +name: chlorophenylethylene +is_a: CHEBI:23115 ! chlorohydrocarbon + +[Term] +id: CHEBI:23156 +name: chlorophenylmethane +is_a: CHEBI:23115 ! chlorohydrocarbon + +[Term] +id: CHEBI:23162 +name: chloropropene +is_a: CHEBI:36387 ! chloroalkene + +[Term] +id: CHEBI:23178 +name: cholest-7-ene +is_a: CHEBI:50401 ! cholestanoid + +[Term] +id: CHEBI:231935 +name: glycerol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:23197 +name: cholestanoyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:232 +name: (+)-cis-carveol +is_a: CHEBI:23046 ! carveol + +[Term] +id: CHEBI:23213 +name: choline ester +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:23216 +name: choline sulfates +is_a: CHEBI:23213 ! choline ester +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:26819 ! sulfuric ester + +[Term] +id: CHEBI:23217 +name: cholines +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:23218 +name: choloyl-CoAs +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:23219 +name: bile acid taurine conjugate +is_a: CHEBI:36249 ! bile acid conjugate + +[Term] +id: CHEBI:23229 +name: chromanol +is_a: CHEBI:23230 ! chromanes +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:23230 +name: chromanes +is_a: CHEBI:38443 ! 1-benzopyran + +[Term] +id: CHEBI:23232 +name: chromenes +is_a: CHEBI:38443 ! 1-benzopyran + +[Term] +id: CHEBI:23237 +name: chromium molecular entity +is_a: CHEBI:33741 ! chromium group molecular entity +relationship: has_part CHEBI:28073 ! chromium atom + +[Term] +id: CHEBI:23238 +name: chromones +is_a: CHEBI:38445 ! chromenone + +[Term] +id: CHEBI:23239 +name: chromopeptide +is_a: CHEBI:25903 ! peptide antibiotic + +[Term] +id: CHEBI:23240 +name: chromophore +is_a: CHEBI:52215 ! photochemical role + +[Term] +id: CHEBI:23243 +name: cineole +is_a: CHEBI:25186 ! p-menthane monoterpenoid +is_a: CHEBI:37407 ! cyclic ether +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:23245 +name: cinnamaldehydes +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:23247 +name: cinnamamides +is_a: CHEBI:51751 ! enamide + +[Term] +id: CHEBI:23248 +name: cinnamate +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:36091 ! cinnamates + +[Term] +id: CHEBI:23252 +name: cinnamic acids +is_a: CHEBI:78840 ! olefinic compound +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:23286 +name: cis-3,4-dihydrophenanthrene-3,4-diol +is_a: CHEBI:37464 ! 3,4-dihydrophenanthrene-3,4-diol + +[Term] +id: CHEBI:233 +name: (4S,7R)-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:50238 ! 4-isopropenyl-7-methyloxepan-2-one + +[Term] +id: CHEBI:23324 +name: citrullines +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:23333 +name: cob(III)alamins +is_a: CHEBI:23334 ! cobalamins + +[Term] +id: CHEBI:23334 +name: cobalamins +is_a: CHEBI:23341 ! cobamides + +[Term] +id: CHEBI:23336 +name: cobalt cation +is_a: CHEBI:33515 ! transition element cation + +[Term] +id: CHEBI:23341 +name: cobamides +is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide + +[Term] +id: CHEBI:23345 +name: cobyric acid +is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide + +[Term] +id: CHEBI:23347 +name: coclaurine +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:24923 ! isoquinolinol +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline + +[Term] +id: CHEBI:23354 +name: coenzyme +is_a: CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:23356 +name: S-substituted coenzyme M +is_a: CHEBI:33551 ! organosulfonic acid + +[Term] +id: CHEBI:23357 +name: cofactor +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:23360 +name: colitose +is_a: CHEBI:23703 ! dideoxyhexose + +[Term] +id: CHEBI:23366 +name: compatible osmolytes +is_a: CHEBI:25728 ! osmolyte + +[Term] +id: CHEBI:23367 +name: molecular entity +is_a: CHEBI:24431 ! chemical entity + +[Term] +id: CHEBI:23375 +name: copalyl diphosphate +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:36772 ! diterpenyl phosphate +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:23377 +name: copper molecular entity +is_a: CHEBI:33745 ! copper group molecular entity +relationship: has_part CHEBI:28694 ! copper atom + +[Term] +id: CHEBI:23378 +name: copper cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:37404 ! elemental copper + +[Term] +id: CHEBI:23388 +name: coproporphyrin +is_a: CHEBI:26214 ! porphyrins + +[Term] +id: CHEBI:23389 +name: cobalt-corrinoid heptacarboxylic acid +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:23390 +name: cobalt-corrinoid hexaamide +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:23392 +name: corrins +is_a: CHEBI:33913 ! corrinoid + +[Term] +id: CHEBI:23396 +name: cortisol ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:23399 +name: coumarate +is_a: CHEBI:36091 ! cinnamates + +[Term] +id: CHEBI:23401 +name: coumaric acid +is_a: CHEBI:24688 ! monohydroxycinnamic acid + +[Term] +id: CHEBI:23403 +name: coumarins +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:38445 ! chromenone + +[Term] +id: CHEBI:23410 +name: cumate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:23412 +name: cumic acid +is_a: CHEBI:22723 ! benzoic acids + +[Term] +id: CHEBI:23417 +name: cutins +is_a: CHEBI:26178 ! polyester macromolecule +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33694 ! biomacromolecule + +[Term] +id: CHEBI:23423 +name: pseudohalogen oxoacid +is_a: CHEBI:24833 ! oxoacid + +[Term] +id: CHEBI:23424 +name: cyanides +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:23436 +name: cyanogenic glycoside +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:24400 ! glycoside +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:23437 +name: cyanohydrin +is_a: CHEBI:22455 ! alpha-hydroxynitrile + +[Term] +id: CHEBI:23443 +name: cyclic amide +is_a: CHEBI:32988 ! amide + +[Term] +id: CHEBI:23445 +name: cyclic hydroxamic acid +is_a: CHEBI:24650 ! hydroxamic acid +is_a: CHEBI:24995 ! lactam + +[Term] +id: CHEBI:23446 +name: cyclic monoterpene ketone +is_a: CHEBI:25408 ! monoterpene ketone +is_a: CHEBI:36130 ! cyclic terpene ketone + +[Term] +id: CHEBI:23447 +name: cyclic nucleotide +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:23448 +name: cyclic oligosaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:23449 +name: cyclic peptide +is_a: CHEBI:16670 ! peptide + +[Term] +id: CHEBI:23450 +name: cyclitol phosphate +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:23451 +name: cyclitol +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:23453 +name: cycloalkane +is_a: CHEBI:33654 ! alicyclic compound +is_a: CHEBI:33664 ! monocyclic hydrocarbon + +[Term] +id: CHEBI:23456 +name: cyclodextrin +is_a: CHEBI:17623 ! cyclomaltodextrin +is_a: CHEBI:51026 ! macrocycle + +[Term] +id: CHEBI:23457 +name: cyclodiene organochlorine insecticide +is_a: CHEBI:25705 ! organochlorine insecticide + +[Term] +id: CHEBI:23466 +name: cyclohexadienecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:23468 +name: cyclohexadienecarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:23469 +name: cyclohexadienediol +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:23470 +name: cyclohexadienol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:37613 ! cyclohexadiene + +[Term] +id: CHEBI:23478 +name: cyclohexanedione +is_a: CHEBI:23482 ! cyclohexanones + +[Term] +id: CHEBI:23480 +name: cyclohexanols +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:23482 +name: cyclohexanones +is_a: CHEBI:36132 ! alicyclic ketone + +[Term] +id: CHEBI:23483 +name: cyclohexenecarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:23493 +name: cyclopentanes +is_a: CHEBI:33598 ! carbocyclic compound + +[Term] +id: CHEBI:23495 +name: cyclopentanols +is_a: CHEBI:23493 ! cyclopentanes +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:23500 +name: cyclopropanecarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:51454 ! cyclopropanes + +[Term] +id: CHEBI:23503 +name: 4-amino-1,2-oxazolidin-3-one +is_a: CHEBI:26649 ! serine derivative +is_a: CHEBI:38329 ! oxazolidines +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:75606 ! hydroxamic acid ester + +[Term] +id: CHEBI:23505 +name: cystathionines +is_a: CHEBI:24610 ! homocysteines + +[Term] +id: CHEBI:23509 +name: cysteine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:23511 +name: cysteinyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group + +[Term] +id: CHEBI:23518 +name: cytidine 3'-phosphate +is_a: CHEBI:23523 ! cytidine phosphate + +[Term] +id: CHEBI:23521 +name: cytidine 5'-phosphate +is_a: CHEBI:23523 ! cytidine phosphate + +[Term] +id: CHEBI:23523 +name: cytidine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:23524 +name: cytidines +is_a: CHEBI:39446 ! pyrimidine ribonucleosides + +[Term] +id: CHEBI:23527 +name: cytochalasin B +is_a: CHEBI:23528 ! cytochalasin +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:26979 ! organic heterotricyclic compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor + +[Term] +id: CHEBI:23528 +name: cytochalasin +is_a: CHEBI:24897 ! isoindoles + +[Term] +id: CHEBI:23530 +name: cytokinin +is_a: CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:23557 +name: dTDP-sugar +is_a: CHEBI:22080 ! TDP-sugar + +[Term] +id: CHEBI:23582 +name: defoliant +is_a: CHEBI:24527 ! herbicide + +[Term] +id: CHEBI:23591 +name: dehydroamino acid +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:23612 +name: deoxyadenosine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate +is_a: CHEBI:61297 ! adenyl deoxyribonucleotide + +[Term] +id: CHEBI:23614 +name: deoxycholate +is_a: CHEBI:131878 ! cholanic acid anion +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:23618 +name: deoxycortisol +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:23621 +name: deoxycytidine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:23622 +name: deoxygalactose +is_a: CHEBI:23628 ! deoxyhexose + +[Term] +id: CHEBI:23623 +name: deoxyglucose +is_a: CHEBI:23628 ! deoxyhexose + +[Term] +id: CHEBI:23625 +name: deoxyguanosine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:23627 +name: deoxyaldohexose phosphate +is_a: CHEBI:21037 ! aldohexose phosphate +is_a: CHEBI:63352 ! deoxyaldohexose derivative + +[Term] +id: CHEBI:23628 +name: deoxyhexose +is_a: CHEBI:23639 ! deoxy sugar +is_a: CHEBI:33917 ! aldohexose + +[Term] +id: CHEBI:23630 +name: deoxyinosine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:23634 +name: deoxyaldopentose phosphate +is_a: CHEBI:25900 ! aldopentose phosphate + +[Term] +id: CHEBI:23635 +name: deoxypentose +is_a: CHEBI:23639 ! deoxy sugar + +[Term] +id: CHEBI:23636 +name: deoxyribonucleoside +is_a: CHEBI:33838 ! nucleoside + +[Term] +id: CHEBI:23638 +name: deoxyribulose phosphate +is_a: CHEBI:26573 ! ribulose phosphate +is_a: CHEBI:35161 ! deoxyketopentose phosphate + +[Term] +id: CHEBI:23639 +name: deoxy sugar +is_a: CHEBI:16646 ! carbohydrate + +[Term] +id: CHEBI:23641 +name: deoxyuridine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:23643 +name: depsipeptide +is_a: CHEBI:16670 ! peptide + +[Term] +id: CHEBI:2365 +name: (+)-abscisic acid +is_a: CHEBI:22152 ! 2-cis-abscisic acid +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:23652 +name: dextrins +is_a: CHEBI:37163 ! glucan + +[Term] +id: CHEBI:23666 +name: diamine +is_a: CHEBI:88061 ! polyamine + +[Term] +id: CHEBI:23671 +name: 2,6-diaminopimelate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:23673 +name: 2,6-diaminopimelic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:23677 +name: diazole +is_a: CHEBI:68452 ! azole + +[Term] +id: CHEBI:23681 +name: dibenzothiophene +is_a: CHEBI:23684 ! dibenzothiophenes +is_a: CHEBI:36416 ! mancude organic heterotricyclic parent +relationship: has_role CHEBI:50176 ! keratolytic drug + +[Term] +id: CHEBI:23683 +name: dibenzothiophene 5-oxide +is_a: CHEBI:23684 ! dibenzothiophenes +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:23684 +name: dibenzothiophenes +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:23690 +name: dicarboxylic acid amide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:23696 +name: dichloroaniline +is_a: CHEBI:23130 ! chloroaniline +is_a: CHEBI:23697 ! dichlorobenzene + +[Term] +id: CHEBI:23697 +name: dichlorobenzene +is_a: CHEBI:23132 ! chlorobenzenes + +[Term] +id: CHEBI:23698 +name: dichlorobenzoyl-CoA +is_a: CHEBI:23136 ! chlorobenzoyl-CoA +is_a: CHEBI:23697 ! dichlorobenzene + +[Term] +id: CHEBI:23699 +name: dichlorocatechol +is_a: CHEBI:23138 ! chlorocatechol +is_a: CHEBI:23697 ! dichlorobenzene + +[Term] +id: CHEBI:23700 +name: dichlorohydroquinone +is_a: CHEBI:23147 ! chlorohydroquinones +is_a: CHEBI:23697 ! dichlorobenzene + +[Term] +id: CHEBI:23702 +name: dichlorophenol +is_a: CHEBI:23150 ! chlorophenol +is_a: CHEBI:23697 ! dichlorobenzene + +[Term] +id: CHEBI:23703 +name: dideoxyhexose +is_a: CHEBI:23628 ! deoxyhexose + +[Term] +id: CHEBI:23711 +name: diethyl 2-methyl-3-hydroxysuccinate +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:51307 ! diester + +[Term] +id: CHEBI:23730 +name: 5-oxo-2-furylacetic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:50523 ! butenolide + +[Term] +id: CHEBI:23733 +name: dihydrocarvone +is_a: CHEBI:61672 ! dihydrocarvones +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:23736 +name: 4,5-dihydrocortisone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47788 ! 3-oxo steroid + +[Term] +id: CHEBI:23738 +name: dihydrophenanthrenediol +is_a: CHEBI:25961 ! phenanthrenes + +[Term] +id: CHEBI:23741 +name: dihydrodipicolinic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:50075 ! dihydropyridine + +[Term] +id: CHEBI:23743 +name: dihydrofolic acids +is_a: CHEBI:37445 ! folic acids + +[Term] +id: CHEBI:23750 +name: S-substituted dihydrolipoamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:2376 +name: acarbose +is_a: CHEBI:63567 ! tetrasaccharide derivative +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:50627 ! EC 3.2.1.1 (alpha-amylase) inhibitor +relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor + +[Term] +id: CHEBI:23763 +name: pyrroline +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:23765 +name: quinolone +is_a: CHEBI:26513 ! quinolines + +[Term] +id: CHEBI:23775 +name: dihydroxy-5beta-cholanic acid +is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid +is_a: CHEBI:85184 ! dihydroxycholanic acid + +[Term] +id: CHEBI:23776 +name: dihydroxyacetophenone +is_a: CHEBI:24668 ! hydroxyacetophenone + +[Term] +id: CHEBI:23778 +name: dihydroxybenzoic acid +is_a: CHEBI:24676 ! hydroxybenzoic acid + +[Term] +id: CHEBI:23781 +name: dihydroxyindole +is_a: CHEBI:84729 ! hydroxyindoles + +[Term] +id: CHEBI:23783 +name: naphthalenediols +is_a: CHEBI:24727 ! hydroxynaphthalene + +[Term] +id: CHEBI:23792 +name: dihydroxypteridine +is_a: CHEBI:26373 ! pteridines +is_a: CHEBI:74818 ! heteroaryl hydroxy compound + +[Term] +id: CHEBI:23793 +name: dihydroxypyridine +is_a: CHEBI:24745 ! hydroxypyridine + +[Term] +id: CHEBI:237958 +name: (\{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate +is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +relationship: has_role CHEBI:50733 ! nutraceutical + +[Term] +id: CHEBI:23796 +name: diiodotyrosine +is_a: CHEBI:24865 ! iodotyrosine +is_a: CHEBI:53680 ! dihalogenated L-tyrosine + +[Term] +id: CHEBI:23798 +name: dimethoxyflavone +is_a: CHEBI:25241 ! methoxyflavone + +[Term] +id: CHEBI:23806 +name: dimethylaniline +is_a: CHEBI:25275 ! methylaniline + +[Term] +id: CHEBI:23809 +name: dimethylbenzimidazole +is_a: CHEBI:22715 ! benzimidazoles + +[Term] +id: CHEBI:23812 +name: dimethylmaleic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:23816 +name: dimethylsilanediol +is_a: CHEBI:26673 ! organosilanediol + +[Term] +id: CHEBI:23818 +name: dimethylxanthine +is_a: CHEBI:25348 ! methylxanthine + +[Term] +id: CHEBI:23822 +name: dinitrotoluene +is_a: CHEBI:25566 ! nitrotoluene + +[Term] +id: CHEBI:23824 +name: diol +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:23825 +name: dibenzodioxine +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:27171 ! organic heterobicyclic compound +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:23843 +name: disaccharide phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:23849 +name: diterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:23853 +name: dithiol +is_a: CHEBI:29256 ! thiol + +[Term] +id: CHEBI:23858 +name: behenate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:76619 ! omega-methyl fatty acid anion +is_a: CHEBI:78127 ! fatty acid anion 22:0 +is_a: CHEBI:83955 ! 2-saturated fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:23866 +name: dodecanols +is_a: CHEBI:24026 ! fatty alcohol + +[Term] +id: CHEBI:23867 +name: dodecenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:23869 +name: dodecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:23872 +name: dodecyl sulfate +is_a: CHEBI:58958 ! organosulfate oxoanion +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:23875 +name: dolichol phosphate +is_a: CHEBI:16030 ! acyldolichol +is_a: CHEBI:37841 ! isoprenoid phosphate + +[Term] +id: CHEBI:23888 +name: drug +is_a: CHEBI:52217 ! pharmaceutical + +[Term] +id: CHEBI:23895 +name: ecdysteroid ester +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:23897 +name: ecdysteroid +is_a: CHEBI:35341 ! steroid +relationship: has_role CHEBI:24621 ! hormone + +[Term] +id: CHEBI:23899 +name: icosanoid +is_a: CHEBI:61697 ! fatty acid derivative + +[Term] +id: CHEBI:23902 +name: icosenoic acid +is_a: CHEBI:132538 ! fatty acid 20:1 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:53339 ! olefinic fatty acid + +[Term] +id: CHEBI:23905 +name: monoatomic anion +is_a: CHEBI:22563 ! anion +is_a: CHEBI:24867 ! monoatomic ion + +[Term] +id: CHEBI:23906 +name: monoatomic cation +is_a: CHEBI:24867 ! monoatomic ion +is_a: CHEBI:36916 ! cation + +[Term] +id: CHEBI:23924 +name: enzyme inhibitor +is_a: CHEBI:35222 ! inhibitor +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:23925 +name: (+)-5-epi-aristolochene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:23929 +name: episterol +is_a: CHEBI:138130 ! Delta(7)-sterol +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:50403 ! ergostanoid +is_a: CHEBI:50586 ! 9xi-episterol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:23931 +name: epoxy monocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:32955 ! epoxide + +[Term] +id: CHEBI:2394 +name: acetochlor +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:62733 ! aromatic amide +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:23943 +name: ergot alkaloid +is_a: CHEBI:65322 ! hemiterpenoid indole alkaloid + +[Term] +id: CHEBI:23948 +name: erythro-3-methylmalic acid +is_a: CHEBI:25312 ! 3-methylmalic acid + +[Term] +id: CHEBI:23953 +name: erythromycins +is_a: CHEBI:25105 ! macrolide antibiotic + +[Term] +id: CHEBI:23955 +name: erythronolide +is_a: CHEBI:25106 ! macrolide +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:23956 +name: erythrose phosphate +is_a: CHEBI:35138 ! aldotetrose phosphate + +[Term] +id: CHEBI:23957 +name: erythroses +is_a: CHEBI:33915 ! aldotetrose + +[Term] +id: CHEBI:23958 +name: erythrulose +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:24981 ! ketotetrose + +[Term] +id: CHEBI:23965 +name: estradiol +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:36838 ! 17-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:23966 +name: estrane +is_a: CHEBI:35508 ! steroid fundamental parent + +[Term] +id: CHEBI:23976 +name: ethanediol +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:23981 +name: ethanolamines +is_a: CHEBI:22478 ! amino alcohol + +[Term] +id: CHEBI:23982 +name: ethanols +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:23990 +name: ethyl ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:23997 +name: ethyl 3-hydroxyhexanoate +is_a: CHEBI:78206 ! fatty acid ethyl ester + +[Term] +id: CHEBI:24002 +name: ethylene releasers +is_a: CHEBI:26155 ! plant growth regulator + +[Term] +id: CHEBI:24012 +name: farnesal +is_a: CHEBI:36757 ! farnesane sesquiterpenoid +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:24018 +name: farnesyl phosphate +is_a: CHEBI:16460 ! polyprenol phosphate + +[Term] +id: CHEBI:24020 +name: fat-soluble vitamin +is_a: CHEBI:33229 ! vitamin + +[Term] +id: CHEBI:24026 +name: fatty alcohol +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:24027 +name: fatty-acyl group +is_a: CHEBI:27207 ! univalent carboacyl group + +[Term] +id: CHEBI:24028 +name: iron(3+) chelator +is_a: CHEBI:38157 ! iron chelator + +[Term] +id: CHEBI:24031 +name: ferulic acids +is_a: CHEBI:24688 ! monohydroxycinnamic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:24040 +name: flavin adenine dinucleotide +is_a: CHEBI:30527 ! flavin +is_a: CHEBI:36981 ! flavin nucleotide +is_a: CHEBI:47885 ! dinucleotide +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:24041 +name: flavin mononucleotide +is_a: CHEBI:30527 ! flavin +is_a: CHEBI:36981 ! flavin nucleotide +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:24043 +name: flavones +is_a: CHEBI:47916 ! flavonoid + +[Term] +id: CHEBI:24057 +name: fluoren-9-ones +is_a: CHEBI:24059 ! fluorenes +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:24059 +name: fluorenes +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:24061 +name: fluorine atom +is_a: CHEBI:24473 ! halogen +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:24062 +name: fluorine molecular entity +is_a: CHEBI:24471 ! halogen molecular entity +relationship: has_part CHEBI:24061 ! fluorine atom + +[Term] +id: CHEBI:24067 +name: fluoroalkane +is_a: CHEBI:24469 ! haloalkane +is_a: CHEBI:37143 ! organofluorine compound + +[Term] +id: CHEBI:24068 +name: fluoroamino acid +is_a: CHEBI:24470 ! haloamino acid +is_a: CHEBI:37143 ! organofluorine compound + +[Term] +id: CHEBI:24079 +name: formamides +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:24085 +name: formimidoyltetrahydrofolic acid +is_a: CHEBI:26907 ! tetrahydrofolic acid + +[Term] +id: CHEBI:24090 +name: formyl phosphate(2-) +is_a: CHEBI:59918 ! acyl monophosphate(2-) + +[Term] +id: CHEBI:24099 +name: formyltetrahydrofolic acid +is_a: CHEBI:26907 ! tetrahydrofolic acid + +[Term] +id: CHEBI:24103 +name: fructosamine +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:24108 +name: fructosylglycine +is_a: CHEBI:24103 ! fructosamine +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:35258 ! glyco-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24109 +name: fructosyllysine +is_a: CHEBI:24103 ! fructosamine +is_a: CHEBI:35258 ! glyco-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:24112 +name: fructuronate +is_a: CHEBI:33901 ! fructuronates + +[Term] +id: CHEBI:24113 +name: fructuronic acid +is_a: CHEBI:33883 ! fructuronic acids + +[Term] +id: CHEBI:24115 +name: fuconate +is_a: CHEBI:33769 ! fuconates + +[Term] +id: CHEBI:24116 +name: fuconic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:24119 +name: fucoside +is_a: CHEBI:35315 ! deoxy hexoside + +[Term] +id: CHEBI:24121 +name: fucosyl oligoglycosylceramide +is_a: CHEBI:36520 ! oligoglycosylceramide +is_a: CHEBI:36638 ! fucosyl glycosphingolipid + +[Term] +id: CHEBI:24127 +name: fungicide +is_a: CHEBI:25944 ! pesticide +is_a: CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:24128 +name: furanocoumarin +is_a: CHEBI:39432 ! furochromene + +[Term] +id: CHEBI:24129 +name: furans +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:24138 +name: galactaric acid derivative +is_a: CHEBI:63438 ! hexaric acid derivative + +[Term] +id: CHEBI:24144 +name: galactoglucomannan +is_a: CHEBI:61298 ! D-glucose- and/or D-galactose-substituted mannan + +[Term] +id: CHEBI:24145 +name: galactoglycerolipid +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63425 ! galactosylglycerol derivative + +[Term] +id: CHEBI:24148 +name: galactonate +is_a: CHEBI:33778 ! galactonates + +[Term] +id: CHEBI:24149 +name: galactonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24150 +name: galactonolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:24151 +name: galactooligosaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:24154 +name: galactosamine phosphate +is_a: CHEBI:24584 ! hexosamine phosphate + +[Term] +id: CHEBI:24155 +name: galactosamine sulfate +is_a: CHEBI:24585 ! hexosamine sulfate + +[Term] +id: CHEBI:24156 +name: galactosamine +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:24158 +name: galactosaminoglycan +is_a: CHEBI:18085 ! glycosaminoglycan + +[Term] +id: CHEBI:24160 +name: galactosaminyl group +is_a: CHEBI:24399 ! glycosaminyl group + +[Term] +id: CHEBI:24163 +name: galactoside +is_a: CHEBI:35313 ! hexoside + +[Term] +id: CHEBI:24164 +name: galactosyl group +is_a: CHEBI:24403 ! glycosyl group + +[Term] +id: CHEBI:24167 +name: galactosylglycerol phosphate +is_a: CHEBI:36310 ! glycosylglycerol phosphate + +[Term] +id: CHEBI:24168 +name: galactosylglycerol +is_a: CHEBI:24406 ! glycosylglycerol +is_a: CHEBI:36307 ! glycosyl alditol + +[Term] +id: CHEBI:24174 +name: galacturonan +is_a: CHEBI:18154 ! polysaccharide + +[Term] +id: CHEBI:24175 +name: galacturonate +is_a: CHEBI:33812 ! galacturonates + +[Term] +id: CHEBI:24183 +name: galloyl beta-D-glucose +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:24190 +name: gamma-glutamyl group +is_a: CHEBI:27207 ! univalent carboacyl group + +[Term] +id: CHEBI:24195 +name: gamma-glutamylcysteine +is_a: CHEBI:24323 ! glutamyl-L-amino acid +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:24215 +name: gentiobioside +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:24221 +name: 3,7-dimethylocta-2,6-dien-1-ol +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:25639 ! octadienol +is_a: CHEBI:26199 ! polyprenol + +[Term] +id: CHEBI:24229 +name: geranylgeraniol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26199 ! polyprenol +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:70868 ! antileishmanial agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:24232 +name: geranylgeranylglycerol 1-phosphate +is_a: CHEBI:26707 ! glycerol phosphate +is_a: CHEBI:36571 ! prenylglycerol phosphate + +[Term] +id: CHEBI:24233 +name: geranylhydroquinone +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:2424 +name: acetylpyruvic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid +is_a: CHEBI:67265 ! beta-diketone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:24250 +name: gibberellin +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:33575 ! carboxylic acid +relationship: has_role CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:24261 +name: glucocorticoid +is_a: CHEBI:36699 ! corticosteroid hormone + +[Term] +id: CHEBI:24262 +name: glucoglycerolipid +is_a: CHEBI:24385 ! glycoglycerolipid + +[Term] +id: CHEBI:24265 +name: gluconate +is_a: CHEBI:33804 ! gluconates + +[Term] +id: CHEBI:24266 +name: gluconic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:24267 +name: gluconolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:24268 +name: glucooligosaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:24269 +name: glucosamine phosphate +is_a: CHEBI:24584 ! hexosamine phosphate + +[Term] +id: CHEBI:24271 +name: glucosamines +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:24272 +name: glucosaminyl group +is_a: CHEBI:24399 ! glycosaminyl group + +[Term] +id: CHEBI:24273 +name: glucosaminylamine +is_a: CHEBI:24271 ! glucosamines + +[Term] +id: CHEBI:24274 +name: glucosaminylphosphodolichol +is_a: CHEBI:23875 ! dolichol phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:24275 +name: glucosaminylphosphatidylinositol +is_a: CHEBI:24410 ! glycosylphosphatidylinositol + +[Term] +id: CHEBI:24278 +name: glucoside +is_a: CHEBI:35313 ! hexoside + +[Term] +id: CHEBI:24279 +name: glucosinolate +is_a: CHEBI:24401 ! glycosinolate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:24280 +name: D-glucosyl group +is_a: CHEBI:24281 ! glucosyl group + +[Term] +id: CHEBI:24281 +name: glucosyl group +is_a: CHEBI:24403 ! glycosyl group + +[Term] +id: CHEBI:24282 +name: glucosyl hydroxycinnamic acid +is_a: CHEBI:24688 ! monohydroxycinnamic acid + +[Term] +id: CHEBI:24286 +name: glucosylglycerol phosphate +is_a: CHEBI:36310 ! glycosylglycerol phosphate +is_a: CHEBI:63426 ! glucosylglycerol derivative + +[Term] +id: CHEBI:24287 +name: glucosylglycerol +is_a: CHEBI:24406 ! glycosylglycerol +is_a: CHEBI:36307 ! glycosyl alditol + +[Term] +id: CHEBI:24289 +name: glucosyl-N(6)-isopentenyladenine +is_a: CHEBI:38643 ! 6-isopentenylaminopurine +relationship: has_role CHEBI:23530 ! cytokinin + +[Term] +id: CHEBI:24297 +name: glucuronate +is_a: CHEBI:33903 ! glucuronates + +[Term] +id: CHEBI:24298 +name: glucuronic acid +is_a: CHEBI:33886 ! glucuronic acids +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24301 +name: glucuronolactone +is_a: CHEBI:37431 ! uronolactone +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:24302 +name: glucosiduronic acid +is_a: CHEBI:35314 ! glycosiduronic acid +is_a: CHEBI:63436 ! carbohydrate acid derivative + +[Term] +id: CHEBI:24309 +name: glutaconic acid +is_a: CHEBI:36129 ! pentenedioic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24311 +name: glutaconyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:24313 +name: glutamic semialdehyde +is_a: CHEBI:26643 ! aldehydic acid + +[Term] +id: CHEBI:24315 +name: glutamic acid derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:24317 +name: L-glutamine derivative +is_a: CHEBI:70813 ! glutamine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative +is_a: CHEBI:83982 ! L-glutamic acid derivative + +[Term] +id: CHEBI:24318 +name: glutamine family amino acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid + +[Term] +id: CHEBI:24319 +name: EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor +is_a: CHEBI:76823 ! EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor + +[Term] +id: CHEBI:24321 +name: glutamo group +is_a: CHEBI:22332 ! alkylamino group + +[Term] +id: CHEBI:24323 +name: glutamyl-L-amino acid +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:24326 +name: glutaramic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide + +[Term] +id: CHEBI:24329 +name: glutarate +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:24333 +name: glutaryl-CoAs +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA + +[Term] +id: CHEBI:24335 +name: glutathione conjugate +is_a: CHEBI:24337 ! glutathione derivative +is_a: CHEBI:64985 ! bioconjugate + +[Term] +id: CHEBI:24337 +name: glutathione derivative +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:24344 +name: 2-phosphoglyceric acid +is_a: CHEBI:25405 ! monophosphoglyceric acid +is_a: CHEBI:63455 ! tetronic acid derivative + +[Term] +id: CHEBI:24346 +name: phosphoglyceric acid +is_a: CHEBI:22300 ! aldonic acid phosphate + +[Term] +id: CHEBI:24347 +name: glycerates +is_a: CHEBI:33763 ! trionate + +[Term] +id: CHEBI:24353 +name: glycerol ether +is_a: CHEBI:25698 ! ether + +[Term] +id: CHEBI:24356 +name: glycerone phosphates +is_a: CHEBI:24358 ! glycerone derivative +is_a: CHEBI:35132 ! ketose phosphate + +[Term] +id: CHEBI:24358 +name: glycerone derivative +is_a: CHEBI:26292 ! propanones +is_a: CHEBI:63407 ! ketotriose derivative + +[Term] +id: CHEBI:24360 +name: glycerophosphoglycerols +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:24367 +name: glycinamide ribonucleotide +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:24372 +name: glycine cholesterol esters +is_a: CHEBI:24373 ! glycine derivative + +[Term] +id: CHEBI:24373 +name: glycine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative + +[Term] +id: CHEBI:24384 +name: glycogens +is_a: CHEBI:37163 ! glucan + +[Term] +id: CHEBI:24385 +name: glycoglycerolipid +is_a: CHEBI:33563 ! glycolipid + +[Term] +id: CHEBI:24387 +name: glycolaldehydes +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:24396 +name: glycopeptide +is_a: CHEBI:16670 ! peptide +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:24397 +name: glycophospholipid +is_a: CHEBI:16247 ! phospholipid +is_a: CHEBI:33563 ! glycolipid + +[Term] +id: CHEBI:24399 +name: glycosaminyl group +is_a: CHEBI:24403 ! glycosyl group + +[Term] +id: CHEBI:24400 +name: glycoside +is_a: CHEBI:63161 ! glycosyl compound + +[Term] +id: CHEBI:24401 +name: glycosinolate +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:24402 +name: glycosphingolipid +is_a: CHEBI:26739 ! sphingolipid +is_a: CHEBI:33563 ! glycolipid + +[Term] +id: CHEBI:24403 +name: glycosyl group +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:24405 +name: glycosylglucose +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:24406 +name: glycosylglycerol +is_a: CHEBI:36307 ! glycosyl alditol + +[Term] +id: CHEBI:24407 +name: glycosyl glycoside +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:24409 +name: glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24410 ! glycosylphosphatidylinositol + +[Term] +id: CHEBI:24410 +name: glycosylphosphatidylinositol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:24397 ! glycophospholipid +is_a: CHEBI:28874 ! phosphatidylinositol + +[Term] +id: CHEBI:24431 +name: chemical entity + +[Term] +id: CHEBI:24432 +name: biological role +is_a: CHEBI:50906 ! role + +[Term] +id: CHEBI:24433 +name: group +is_a: CHEBI:24431 ! chemical entity +relationship: has_part CHEBI:33250 ! atom + +[Term] +id: CHEBI:24436 +name: guanidines +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:24439 +name: guanidinoacetic acids +is_a: CHEBI:21672 ! N-amidino-amino acid +is_a: CHEBI:24373 ! glycine derivative + +[Term] +id: CHEBI:24442 +name: guanidinoethyl methyl phosphates +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:36711 ! phosphoethanolamine + +[Term] +id: CHEBI:24455 +name: guanosine phosphate +is_a: CHEBI:24458 ! guanosines +is_a: CHEBI:25608 ! nucleoside phosphate +is_a: CHEBI:61295 ! guanyl ribonucleotide + +[Term] +id: CHEBI:24458 +name: guanosines +is_a: CHEBI:26399 ! purine ribonucleoside + +[Term] +id: CHEBI:24461 +name: gulonate +is_a: CHEBI:33864 ! gulonates + +[Term] +id: CHEBI:24462 +name: gulonic acid +is_a: CHEBI:33752 ! hexonic acid +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:24469 +name: haloalkane +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:24470 +name: haloamino acid +is_a: CHEBI:83820 ! non-proteinogenic amino acid + +[Term] +id: CHEBI:24471 +name: halogen molecular entity +is_a: CHEBI:33675 ! p-block molecular entity +relationship: has_part CHEBI:24473 ! halogen + +[Term] +id: CHEBI:24472 +name: halohydrocarbon +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:24473 +name: halogen +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33560 ! p-block element atom + +[Term] +id: CHEBI:24479 +name: heme a +is_a: CHEBI:30413 ! heme +is_a: CHEBI:36178 ! cytoporphyrins +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:2448 +name: actinorhodin +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:36820 ! ring assembly +is_a: CHEBI:48129 ! benzoisochromanequinone +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:24480 +name: heme o +is_a: CHEBI:30413 ! heme +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:24495 +name: heparan alpha-D-glucosaminide +is_a: CHEBI:24500 ! heparan +is_a: CHEBI:35373 ! D-glucosaminide +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:24499 +name: heparan sulfate proteoglycan +is_a: CHEBI:37396 ! proteoglycan +is_a: CHEBI:37944 ! polysaccharide sulfate + +[Term] +id: CHEBI:24500 +name: heparan +is_a: CHEBI:18085 ! glycosaminoglycan + +[Term] +id: CHEBI:24505 +name: heparins +is_a: CHEBI:35722 ! sulfated glycosaminoglycan +is_a: CHEBI:37395 ! mucopolysaccharide + +[Term] +id: CHEBI:24521 +name: heptenedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:24522 +name: heptenedioic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:24523 +name: heptenone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:24527 +name: herbicide +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:24531 +name: heterocyclic antibiotic +is_a: CHEBI:24532 ! organic heterocyclic compound +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:24532 +name: organic heterocyclic compound +is_a: CHEBI:33285 ! heteroorganic entity +is_a: CHEBI:33832 ! organic cyclic compound +is_a: CHEBI:5686 ! heterocyclic compound + +[Term] +id: CHEBI:24533 +name: heterodetic cyclic peptide +is_a: CHEBI:23449 ! cyclic peptide + +[Term] +id: CHEBI:24536 +name: hexachlorocyclohexane +is_a: CHEBI:39154 ! chlorocyclohexane + +[Term] +id: CHEBI:24545 +name: hexadecatrienoic acid +is_a: CHEBI:132499 ! fatty acid 16:3 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:24546 +name: hexadecen-1-ol +is_a: CHEBI:50582 ! alkenyl alcohol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol + +[Term] +id: CHEBI:24547 +name: hexadecenal +is_a: CHEBI:61870 ! monounsaturated fatty aldehyde +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:24548 +name: hexadecenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:24549 +name: hexadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA + +[Term] +id: CHEBI:24551 +name: hexadienal +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:24552 +name: hexadienedioate +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion + +[Term] +id: CHEBI:24553 +name: hexadienedioic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid + +[Term] +id: CHEBI:24554 +name: hexadienoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:24555 +name: hexadienoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:24561 +name: hexahydroxyflavone +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:24567 +name: cyclohexane-1,2-diol +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:24573 +name: hexanone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:24576 +name: hexaric acid anion +is_a: CHEBI:22289 ! aldaric acid anion + +[Term] +id: CHEBI:24577 +name: hexaric acid +is_a: CHEBI:22290 ! aldaric acid + +[Term] +id: CHEBI:24578 +name: hexenal +is_a: CHEBI:61870 ! monounsaturated fatty aldehyde + +[Term] +id: CHEBI:24580 +name: hexenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:24582 +name: hexitol phosphate +is_a: CHEBI:22297 ! alditol phosphate +is_a: CHEBI:63430 ! hexitol derivative + +[Term] +id: CHEBI:24583 +name: hexitol +is_a: CHEBI:17522 ! alditol + +[Term] +id: CHEBI:24584 +name: hexosamine phosphate +is_a: CHEBI:22529 ! amino sugar phosphate + +[Term] +id: CHEBI:24585 +name: hexosamine sulfate +is_a: CHEBI:24589 ! monosaccharide sulfate + +[Term] +id: CHEBI:24586 +name: hexosamine +is_a: CHEBI:60926 ! amino monosaccharide + +[Term] +id: CHEBI:24587 +name: hexosaminide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:24588 +name: hexose 1-phosphate +is_a: CHEBI:21037 ! aldohexose phosphate + +[Term] +id: CHEBI:24589 +name: monosaccharide sulfate +is_a: CHEBI:35724 ! carbohydrate sulfate +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:24591 +name: hexuronate +is_a: CHEBI:33549 ! uronate + +[Term] +id: CHEBI:24592 +name: hexuronic acid +is_a: CHEBI:27252 ! uronic acid + +[Term] +id: CHEBI:24599 +name: histidine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:24610 +name: homocysteines +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:24612 +name: homocystines +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:35489 ! organic disulfide +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:24613 +name: homodetic cyclic peptide +is_a: CHEBI:23449 ! cyclic peptide + +[Term] +id: CHEBI:24619 +name: homoserine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:24621 +name: hormone +is_a: CHEBI:33280 ! molecular messenger +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:24628 +name: imidazolidine-2,4-dione +is_a: CHEBI:55370 ! imidazolidinone + +[Term] +id: CHEBI:24631 +name: hydrazines +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:24632 +name: hydrocarbon +is_a: CHEBI:33245 ! organic fundamental parent + +[Term] +id: CHEBI:24636 +name: proton +is_a: CHEBI:15378 ! hydron +is_a: CHEBI:33253 ! nucleon + +[Term] +id: CHEBI:246422 +name: dUMP(2-) +is_a: CHEBI:142209 ! pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24644 +name: HPETE +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:24646 +name: hydroquinones +is_a: CHEBI:33570 ! benzenediols + +[Term] +id: CHEBI:24648 +name: hydroxamic acid anion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:35406 ! oxoanion + +[Term] +id: CHEBI:24650 +name: hydroxamic acid +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:24651 +name: hydroxides +is_a: CHEBI:25806 ! oxygen molecular entity +is_a: CHEBI:33608 ! hydrogen molecular entity +is_a: CHEBI:37577 ! heteroatomic molecular entity +relationship: has_part CHEBI:43176 ! hydroxy group + +[Term] +id: CHEBI:24654 +name: hydroxy fatty acid +is_a: CHEBI:35366 ! fatty acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:24658 +name: hydroxy-L-arginine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:83965 ! L-arginine derivative + +[Term] +id: CHEBI:24659 +name: hydroxy-L-glutamic acid +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:83982 ! L-glutamic acid derivative + +[Term] +id: CHEBI:24661 +name: hydroxy-L-lysine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:25095 ! L-lysine derivative + +[Term] +id: CHEBI:24662 +name: hydroxy-amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:24663 +name: hydroxy-5beta-cholanic acid +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:36248 ! 5beta-cholanic acids + +[Term] +id: CHEBI:24668 +name: hydroxyacetophenone +is_a: CHEBI:22187 ! acetophenones +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:24669 +name: hydroxy carboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:24673 +name: hydroxybenzaldehyde +is_a: CHEBI:22698 ! benzaldehydes +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:24675 +name: hydroxybenzoate +is_a: CHEBI:22718 ! benzoates +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:24676 +name: hydroxybenzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:24677 +name: hydroxybenzophenone +is_a: CHEBI:22726 ! benzophenones +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:24678 +name: hydroxybenzoyl-CoA +is_a: CHEBI:22736 ! benzoyl-CoAs +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:24679 +name: hydroxybenzyl alcohol +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:2468 +name: secondary alpha-hydroxy ketone +is_a: CHEBI:139588 ! alpha-hydroxy ketone +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:24681 +name: hydroxybiphenyls +is_a: CHEBI:22888 ! biphenyls +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:24684 +name: hydroxybutyric acid +is_a: CHEBI:24654 ! hydroxy fatty acid + +[Term] +id: CHEBI:24685 +name: hydroxybutanoyl-CoA +is_a: CHEBI:22954 ! butanoyl-CoAs + +[Term] +id: CHEBI:24688 +name: monohydroxycinnamic acid +is_a: CHEBI:24689 ! hydroxycinnamic acid + +[Term] +id: CHEBI:24689 +name: hydroxycinnamic acid +is_a: CHEBI:23252 ! cinnamic acids + +[Term] +id: CHEBI:24693 +name: hydroxycyclohexanone +is_a: CHEBI:23482 ! cyclohexanones + +[Term] +id: CHEBI:24697 +name: hydroxyflavanone +is_a: CHEBI:28863 ! flavanones +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:24698 +name: hydroxyflavone +is_a: CHEBI:24043 ! flavones +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:24699 +name: hydroxyfluorenes +is_a: CHEBI:24059 ! fluorenes +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:24705 +name: hydroxykynurenamine +is_a: CHEBI:24990 ! kynurenamines + +[Term] +id: CHEBI:24709 +name: hydroxylamines +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:24711 +name: hydroxymalonate +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:24712 +name: hydroxymethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:24727 +name: hydroxynaphthalene +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:24729 +name: 6-hydroxynicotine +is_a: CHEBI:38182 ! monohydroxypyridine + +[Term] +id: CHEBI:24730 +name: hydroxynitrile +is_a: CHEBI:18379 ! nitrile + +[Term] +id: CHEBI:24731 +name: hydroxyphenylacetaldehyde oxime +is_a: CHEBI:22307 ! aldoxime + +[Term] +id: CHEBI:24734 +name: hydroxyphenylalanine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:25985 ! phenylalanine derivative +is_a: CHEBI:33856 ! aromatic amino acid + +[Term] +id: CHEBI:24744 +name: 2-hydroxypropyl-CoM +is_a: CHEBI:23356 ! S-substituted coenzyme M + +[Term] +id: CHEBI:24745 +name: hydroxypyridine +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:74818 ! heteroaryl hydroxy compound + +[Term] +id: CHEBI:24747 +name: hydroxyoctadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid + +[Term] +id: CHEBI:24751 +name: hydroxytoluene +is_a: CHEBI:27024 ! toluenes +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:24753 +name: hygromycin +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:22507 ! aminoglycoside antibiotic + +[Term] +id: CHEBI:24757 +name: hypochlorous acid +is_a: CHEBI:26523 ! reactive oxygen species +is_a: CHEBI:33426 ! chlorine oxoacid +relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor +relationship: has_role CHEBI:76797 ! EC 2.5.1.18 (glutathione transferase) inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24765 +name: idaric acid +is_a: CHEBI:24577 ! hexaric acid + +[Term] +id: CHEBI:24766 +name: iditol +is_a: CHEBI:24583 ! hexitol + +[Term] +id: CHEBI:24768 +name: iduronates +is_a: CHEBI:24591 ! hexuronate + +[Term] +id: CHEBI:24769 +name: iduronic acid +is_a: CHEBI:33897 ! iduronic acids +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24773 +name: 3-(imidazol-5-yl)lactate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:24779 +name: imidazolylacetaldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24780 ! imidazoles + +[Term] +id: CHEBI:24780 +name: imidazoles +is_a: CHEBI:23677 ! diazole + +[Term] +id: CHEBI:24781 +name: imidazolinone +is_a: CHEBI:20432 ! imidazolone +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:24782 +name: imide +is_a: CHEBI:33257 ! secondary amide + +[Term] +id: CHEBI:24783 +name: imine +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:24785 +name: iminodiacetate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:24786 +name: iminodiacetic acid +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:38161 ! chelator + +[Term] +id: CHEBI:24789 +name: indanones +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:46940 ! indanes + +[Term] +id: CHEBI:2479 +name: adenosylcobinamide guanosyl diphosphate +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:33906 ! cobalt corrinoid +is_a: CHEBI:37121 ! guanosine 5'-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:24793 +name: indoledione +is_a: CHEBI:24829 ! indolones + +[Term] +id: CHEBI:24796 +name: indolylmethylglucosinolate +is_a: CHEBI:24279 ! glucosinolate + +[Term] +id: CHEBI:24797 +name: indole phytoalexin +is_a: CHEBI:24828 ! indoles +relationship: has_role CHEBI:26115 ! phytoalexin + +[Term] +id: CHEBI:2480 +name: adenosylcobinamide +is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:24803 +name: indole-3-acetic acids +is_a: CHEBI:24810 ! indol-3-yl carboxylic acid + +[Term] +id: CHEBI:24809 +name: indole-3-carboxylic acid +is_a: CHEBI:24810 ! indol-3-yl carboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:2481 +name: adenosylcobinamide phosphate +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:37466 ! O-phosphocorrinoid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:24810 +name: indol-3-yl carboxylic acid +is_a: CHEBI:46867 ! indolyl carboxylic acid + +[Term] +id: CHEBI:24813 +name: 3-(indol-3-yl)lactic acid +is_a: CHEBI:24810 ! indol-3-yl carboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24814 +name: indole-3-methanol +is_a: CHEBI:38467 ! indolyl alcohol +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:2482 +name: adenosylcob(III)yrinic acid a,c-diamide +is_a: CHEBI:33906 ! cobalt corrinoid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:24821 +name: indolyl carbohydrate +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:24823 +name: indoleacetaldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:24828 +name: indoles +is_a: CHEBI:22728 ! benzopyrrole + +[Term] +id: CHEBI:24829 +name: indolones +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:2483 +name: adenosylcobyric acid +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:24833 +name: oxoacid +is_a: CHEBI:24651 ! hydroxides +relationship: has_role CHEBI:39141 ! Bronsted acid + +[Term] +id: CHEBI:24834 +name: inorganic anion +is_a: CHEBI:22563 ! anion +is_a: CHEBI:36914 ! inorganic ion + +[Term] +id: CHEBI:24835 +name: inorganic molecular entity +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:24836 +name: inorganic oxide +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:25741 ! oxide + +[Term] +id: CHEBI:24837 +name: inorganic peroxide +is_a: CHEBI:24836 ! inorganic oxide +is_a: CHEBI:25940 ! peroxides + +[Term] +id: CHEBI:24838 +name: inorganic phosphate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:26020 ! phosphate + +[Term] +id: CHEBI:24839 +name: inorganic salt +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:24866 ! salt + +[Term] +id: CHEBI:24843 +name: inosine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:24844 +name: inosines +is_a: CHEBI:26399 ! purine ribonucleoside + +[Term] +id: CHEBI:24846 +name: inositol phosphate +is_a: CHEBI:23450 ! cyclitol phosphate + +[Term] +id: CHEBI:24848 +name: inositol +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:37206 ! hexol + +[Term] +id: CHEBI:24850 +name: insect attractant +is_a: CHEBI:24432 ! biological role +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:24852 +name: insecticide +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:24853 +name: intercalator +is_a: CHEBI:25435 ! mutagen + +[Term] +id: CHEBI:24859 +name: iodine atom +is_a: CHEBI:24473 ! halogen +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:24860 +name: iodine molecular entity +is_a: CHEBI:24471 ! halogen molecular entity +relationship: has_part CHEBI:24859 ! iodine atom + +[Term] +id: CHEBI:24862 +name: iodoamino acid +is_a: CHEBI:24470 ! haloamino acid +is_a: CHEBI:37142 ! organoiodine compound + +[Term] +id: CHEBI:24863 +name: iodophenol +is_a: CHEBI:37142 ! organoiodine compound +is_a: CHEBI:38856 ! halophenol + +[Term] +id: CHEBI:24864 +name: iodothyronine +is_a: CHEBI:24862 ! iodoamino acid +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:24865 +name: iodotyrosine +is_a: CHEBI:24862 ! iodoamino acid +is_a: CHEBI:62761 ! tyrosine derivative + +[Term] +id: CHEBI:24866 +name: salt +is_a: CHEBI:37577 ! heteroatomic molecular entity +relationship: has_part CHEBI:22563 ! anion +relationship: has_part CHEBI:36916 ! cation + +[Term] +id: CHEBI:24867 +name: monoatomic ion +is_a: CHEBI:24870 ! ion +is_a: CHEBI:33238 ! monoatomic entity + +[Term] +id: CHEBI:24868 +name: organic salt +is_a: CHEBI:24866 ! salt + +[Term] +id: CHEBI:24869 +name: ionophore +is_a: CHEBI:38632 ! membrane transport modulator + +[Term] +id: CHEBI:24870 +name: ion +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:24873 +name: iron molecular entity +is_a: CHEBI:33744 ! iron group molecular entity +relationship: has_part CHEBI:18248 ! iron atom + +[Term] +id: CHEBI:24874 +name: iron ionophore +is_a: CHEBI:24869 ! ionophore + +[Term] +id: CHEBI:24875 +name: iron cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:82663 ! elemental iron + +[Term] +id: CHEBI:24897 +name: isoindoles +is_a: CHEBI:22728 ! benzopyrrole + +[Term] +id: CHEBI:24898 +name: isoleucine +is_a: CHEBI:38264 ! 2-amino-3-methylpentanoic acid +relationship: has_part CHEBI:45557 ! sec-butyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:24899 +name: isoleucine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:2490 +name: 6-oxohexanoic acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:76328 ! omega-oxo fatty acid + +[Term] +id: CHEBI:24909 +name: hydrocarbyladenosine +is_a: CHEBI:22260 ! adenosines + +[Term] +id: CHEBI:24911 +name: isopiperitenol +is_a: CHEBI:25186 ! p-menthane monoterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:24913 +name: isoprenoid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:24921 +name: isoquinoline alkaloid +is_a: CHEBI:22315 ! alkaloid + +[Term] +id: CHEBI:24922 +name: isoquinolines +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:24923 +name: isoquinolinol +is_a: CHEBI:24922 ! isoquinolines + +[Term] +id: CHEBI:24928 +name: isothiocyanic acid +is_a: CHEBI:33405 ! hydracid +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:24937 +name: jasmonates +is_a: CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:24943 +name: juvenile hormone +is_a: CHEBI:36757 ! farnesane sesquiterpenoid +relationship: has_role CHEBI:24621 ! hormone +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:2495 +name: adrenosterone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:137626 ! EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:24951 +name: kanamycins +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:22507 ! aminoglycoside antibiotic + +[Term] +id: CHEBI:24957 +name: keto-disaccharide +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:24960 +name: ketoaldehyde +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:24961 +name: ketoaldonate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:24962 +name: ketoaldonic acid phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:24963 +name: ketoaldonic acid +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:24964 +name: deoxyketohexose phosphate +is_a: CHEBI:24972 ! ketohexose phosphate +is_a: CHEBI:63350 ! deoxyketohexose derivative + +[Term] +id: CHEBI:24965 +name: deoxyketohexose +is_a: CHEBI:23639 ! deoxy sugar +is_a: CHEBI:24973 ! ketohexose + +[Term] +id: CHEBI:24966 +name: keto-D-gluconate +is_a: CHEBI:60978 ! ketogluconate + +[Term] +id: CHEBI:24967 +name: ketogluconic acid +is_a: CHEBI:24266 ! gluconic acid + +[Term] +id: CHEBI:24970 +name: ketohexose bisphosphate +is_a: CHEBI:24972 ! ketohexose phosphate + +[Term] +id: CHEBI:24971 +name: ketohexose monophosphate +is_a: CHEBI:24972 ! ketohexose phosphate + +[Term] +id: CHEBI:24972 +name: ketohexose phosphate +is_a: CHEBI:35132 ! ketose phosphate +is_a: CHEBI:47878 ! hexose phosphate + +[Term] +id: CHEBI:24973 +name: ketohexose +is_a: CHEBI:18133 ! hexose +is_a: CHEBI:24978 ! ketose + +[Term] +id: CHEBI:24975 +name: ketooctose +is_a: CHEBI:24978 ! ketose +is_a: CHEBI:25656 ! octose + +[Term] +id: CHEBI:24976 +name: ketopentose phosphate +is_a: CHEBI:35132 ! ketose phosphate +is_a: CHEBI:84055 ! pentose phosphate + +[Term] +id: CHEBI:24977 +name: ketopentose +is_a: CHEBI:24978 ! ketose +is_a: CHEBI:25901 ! pentose + +[Term] +id: CHEBI:24978 +name: ketose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:24980 +name: ketotetrose phosphate +is_a: CHEBI:35132 ! ketose phosphate + +[Term] +id: CHEBI:24981 +name: ketotetrose +is_a: CHEBI:24978 ! ketose +is_a: CHEBI:26938 ! tetrose + +[Term] +id: CHEBI:24982 +name: ketotriose +is_a: CHEBI:24978 ! ketose +is_a: CHEBI:27137 ! triose + +[Term] +id: CHEBI:24983 +name: ketoxime +is_a: CHEBI:25750 ! oxime + +[Term] +id: CHEBI:24990 +name: kynurenamines +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:24995 +name: lactam +is_a: CHEBI:23443 ! cyclic amide +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:24996 +name: lactate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25000 +name: lactone +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35701 ! ester +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:25002 +name: lactosamines +is_a: CHEBI:22480 ! amino disaccharide + +[Term] +id: CHEBI:25004 +name: lactose phosphate +is_a: CHEBI:23843 ! disaccharide phosphate + +[Term] +id: CHEBI:25016 +name: lead atom +is_a: CHEBI:33306 ! carbon group element atom +is_a: CHEBI:33521 ! metal atom + +[Term] +id: CHEBI:25017 +name: leucine +is_a: CHEBI:22918 ! branched-chain amino acid +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:30356 ! isobutyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:25018 +name: L-leucine derivative +is_a: CHEBI:47003 ! leucine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative + +[Term] +id: CHEBI:25022 +name: leucomycin +is_a: CHEBI:25106 ! macrolide +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:25029 +name: leukotriene +is_a: CHEBI:23899 ! icosanoid + +[Term] +id: CHEBI:25036 +name: lignan +is_a: CHEBI:26004 ! phenylpropanoid + +[Term] +id: CHEBI:2504 +name: aflatoxin B1 +is_a: CHEBI:22271 ! aflatoxin +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25040 +name: limonene monoterpenoid +is_a: CHEBI:25186 ! p-menthane monoterpenoid + +[Term] +id: CHEBI:25046 +name: linear tetrapyrrole +is_a: CHEBI:26932 ! tetrapyrrole + +[Term] +id: CHEBI:25048 +name: linolenic acid +is_a: CHEBI:25633 ! octadecatrienoic acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59549 ! essential fatty acid +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:25051 +name: lipid As +is_a: CHEBI:24397 ! glycophospholipid +is_a: CHEBI:35371 ! lipooligosaccharide + +[Term] +id: CHEBI:25072 +name: lombricine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:26649 ! serine derivative +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:25078 +name: luciferin +is_a: CHEBI:52216 ! photobiochemical role + +[Term] +id: CHEBI:25091 +name: luteolin O-glucuronoside +is_a: CHEBI:24302 ! glucosiduronic acid +is_a: CHEBI:50018 ! glycosyloxyflavone + +[Term] +id: CHEBI:25094 +name: lysine +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:35987 ! diamino acid +relationship: has_part CHEBI:50339 ! 4-aminobutyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:25095 +name: L-lysine derivative +is_a: CHEBI:53079 ! lysine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative + +[Term] +id: CHEBI:25097 +name: lyxose +is_a: CHEBI:33916 ! aldopentose + +[Term] +id: CHEBI:25105 +name: macrolide antibiotic +is_a: CHEBI:25106 ! macrolide +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:25106 +name: macrolide +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:63944 ! macrocyclic lactone + +[Term] +id: CHEBI:25107 +name: magnesium atom +is_a: CHEBI:22313 ! alkaline earth metal atom +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:25108 +name: magnesium molecular entity +is_a: CHEBI:33299 ! alkaline earth molecular entity +relationship: has_part CHEBI:25107 ! magnesium atom + +[Term] +id: CHEBI:25111 +name: magnesium porphyrin +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:38251 ! magnesium tetrapyrrole + +[Term] +id: CHEBI:25115 +name: malate +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:25136 +name: malonyl-CoAs +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:25140 +name: maltodextrin +is_a: CHEBI:23652 ! dextrins + +[Term] +id: CHEBI:25143 +name: maltose phosphate +is_a: CHEBI:23843 ! disaccharide phosphate + +[Term] +id: CHEBI:25147 +name: mandelate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:25150 +name: prunasin +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:23436 ! cyanogenic glycoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:25154 +name: manganese molecular entity +is_a: CHEBI:33743 ! manganese group molecular entity +relationship: has_part CHEBI:18291 ! manganese atom + +[Term] +id: CHEBI:25155 +name: manganese cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:35115 ! elemental manganese + +[Term] +id: CHEBI:25165 +name: mannosamine phosphate +is_a: CHEBI:24584 ! hexosamine phosphate + +[Term] +id: CHEBI:25166 +name: mannosamine +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:25167 +name: mannosaminolactone +is_a: CHEBI:37432 ! mannonolactone + +[Term] +id: CHEBI:25168 +name: mannosylinositol phosphorylceramide +is_a: CHEBI:26057 ! phosphoglycosphingolipid +is_a: CHEBI:60245 ! inositol phosphoceramide + +[Term] +id: CHEBI:25169 +name: mannoside +is_a: CHEBI:35313 ! hexoside + +[Term] +id: CHEBI:25171 +name: mannosyl groups +is_a: CHEBI:24403 ! glycosyl group + +[Term] +id: CHEBI:25174 +name: mannooligosaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:25175 +name: mannuronates +is_a: CHEBI:24591 ! hexuronate + +[Term] +id: CHEBI:25176 +name: mannuronic acid +is_a: CHEBI:33898 ! mannuronic acids + +[Term] +id: CHEBI:25179 +name: melanins +is_a: CHEBI:26195 ! polyphenol +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:25185 +name: menaquinones +is_a: CHEBI:26254 ! prenylnaphthoquinone + +[Term] +id: CHEBI:25186 +name: p-menthane monoterpenoid +is_a: CHEBI:25409 ! monoterpenoid + +[Term] +id: CHEBI:25187 +name: p-menthan-3-ol +is_a: CHEBI:25186 ! p-menthane monoterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:25189 +name: 1,4-dimercaptobutane-2,3-diol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:22944 ! butanediols +is_a: CHEBI:29256 ! thiol + +[Term] +id: CHEBI:2519 +name: agroclavine +is_a: CHEBI:23943 ! ergot alkaloid + +[Term] +id: CHEBI:25195 +name: mercury atom +is_a: CHEBI:33340 ! zinc group element atom + +[Term] +id: CHEBI:25196 +name: mercury molecular entity +is_a: CHEBI:33673 ! zinc group molecular entity +relationship: has_part CHEBI:25195 ! mercury atom + +[Term] +id: CHEBI:25197 +name: mercury cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:35113 ! elemental mercury + +[Term] +id: CHEBI:25212 +name: metabolite +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:25213 +name: metal cation +is_a: CHEBI:23906 ! monoatomic cation +is_a: CHEBI:36915 ! inorganic cation + +[Term] +id: CHEBI:25214 +name: metal-sulfur cluster +is_a: CHEBI:33733 ! heteronuclear cluster +relationship: has_role CHEBI:26348 ! prosthetic group + +[Term] +id: CHEBI:25216 +name: metalloporphyrin +is_a: CHEBI:26214 ! porphyrins +is_a: CHEBI:33240 ! coordination entity +is_a: CHEBI:33909 ! metallotetrapyrrole + +[Term] +id: CHEBI:25218 +name: methacrylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:25219 +name: methacrylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:25223 +name: methanesulfonate ester +is_a: CHEBI:48544 ! methanesulfonates +is_a: CHEBI:83347 ! organosulfonic ester + +[Term] +id: CHEBI:25224 +name: methanesulfonate +is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate + +[Term] +id: CHEBI:25230 +name: methionine derivative +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:25235 +name: monomethoxybenzene +is_a: CHEBI:51683 ! methoxybenzenes + +[Term] +id: CHEBI:25236 +name: methoxybenzoate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:25238 +name: methoxybenzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:51683 ! methoxybenzenes + +[Term] +id: CHEBI:25240 +name: methoxyflavanone +is_a: CHEBI:28863 ! flavanones +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:25241 +name: methoxyflavone +is_a: CHEBI:24043 ! flavones +is_a: CHEBI:25698 ! ether + +[Term] +id: CHEBI:25248 +name: methyl ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:25253 +name: methyl halides +is_a: CHEBI:39279 ! halomethane + +[Term] +id: CHEBI:25255 +name: methyl methanesulfonate +is_a: CHEBI:25223 ! methanesulfonate ester +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:68495 ! apoptosis inducer + +[Term] +id: CHEBI:25263 +name: methyl D-galactoside +is_a: CHEBI:20961 ! D-galactoside +is_a: CHEBI:60982 ! methyl galactoside + +[Term] +id: CHEBI:25264 +name: methyl-L-alanine +is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative + +[Term] +id: CHEBI:25268 +name: methyl-L-methionine +is_a: CHEBI:84121 ! L-methionine derivative + +[Term] +id: CHEBI:25270 +name: methyl myo-inositols +is_a: CHEBI:23451 ! cyclitol + +[Term] +id: CHEBI:25271 +name: methyl-branched fatty acyl-CoA +is_a: CHEBI:61912 ! branched-chain fatty acyl-CoA + +[Term] +id: CHEBI:25272 +name: methyladenine +is_a: CHEBI:20706 ! 6-aminopurines + +[Term] +id: CHEBI:25273 +name: methyladenosine +is_a: CHEBI:24909 ! hydrocarbyladenosine + +[Term] +id: CHEBI:25274 +name: methylamines +is_a: CHEBI:22331 ! alkylamines + +[Term] +id: CHEBI:25275 +name: methylaniline +is_a: CHEBI:48975 ! substituted aniline + +[Term] +id: CHEBI:25280 +name: methylbenzoic acid +is_a: CHEBI:22723 ! benzoic acids + +[Term] +id: CHEBI:25281 +name: methylbenzyl alcohol +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:27024 ! toluenes + +[Term] +id: CHEBI:25282 +name: methylbutanal +is_a: CHEBI:22939 ! butanals + +[Term] +id: CHEBI:25286 +name: methylbutanoyl-CoA +is_a: CHEBI:22954 ! butanoyl-CoAs +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA + +[Term] +id: CHEBI:25289 +name: methylcatechol +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:25297 +name: methylenetetrahydrofolic acid +is_a: CHEBI:26907 ! tetrahydrofolic acid + +[Term] +id: CHEBI:25302 +name: methyl glycoside +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:25307 +name: methylguanosine +is_a: CHEBI:24458 ! guanosines + +[Term] +id: CHEBI:25311 +name: methylisocitric acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:25312 +name: 3-methylmalic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25322 +name: methylmercury compound +is_a: CHEBI:33255 ! alkylmercury compound + +[Term] +id: CHEBI:25324 +name: methylnaphthalenes +is_a: CHEBI:25477 ! naphthalenes + +[Term] +id: CHEBI:2533 +name: alachlor +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:62733 ! aromatic amide +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:25333 +name: pretetramide +is_a: CHEBI:26895 ! tetracyclines +is_a: CHEBI:29347 ! monocarboxylic acid amide + +[Term] +id: CHEBI:25336 +name: methylpropanoyl-CoA +is_a: CHEBI:26296 ! propanoyl-CoAs + +[Term] +id: CHEBI:25340 +name: methylpyridines +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:25345 +name: methyltetrahydrofolate +is_a: CHEBI:67016 ! tetrahydrofolate + +[Term] +id: CHEBI:25347 +name: methyluridine +is_a: CHEBI:27242 ! uridines + +[Term] +id: CHEBI:25348 +name: methylxanthine +is_a: CHEBI:26385 ! purine alkaloid + +[Term] +id: CHEBI:25350 +name: mevalonate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:25351 +name: mevalonic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:25354 +name: mineralocorticoid +is_a: CHEBI:36699 ! corticosteroid hormone + +[Term] +id: CHEBI:25355 +name: mitochondrial respiratory-chain inhibitor +is_a: CHEBI:38497 ! respiratory-chain inhibitor + +[Term] +id: CHEBI:25357 +name: mitomycin +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:38303 ! azirinopyrroloindole +relationship: has_role CHEBI:24853 ! intercalator +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:25362 +name: elemental molecule +is_a: CHEBI:25367 ! molecule +is_a: CHEBI:33259 ! elemental molecular entity + +[Term] +id: CHEBI:25367 +name: molecule +is_a: CHEBI:36357 ! polyatomic entity + +[Term] +id: CHEBI:25370 +name: molybdenum molecular entity +is_a: CHEBI:33741 ! chromium group molecular entity +relationship: has_part CHEBI:28685 ! molybdenum atom + +[Term] +id: CHEBI:25371 +name: molybdic acid +is_a: CHEBI:36267 ! molybdenum oxoacid + +[Term] +id: CHEBI:25372 +name: molybdopterin cofactor +is_a: CHEBI:35203 ! molybdopterins +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:25375 +name: monoamine molecular messenger +is_a: CHEBI:63534 ! monoamine +relationship: has_role CHEBI:33280 ! molecular messenger + +[Term] +id: CHEBI:25380 +name: acetylenic fatty acid +is_a: CHEBI:27208 ! unsaturated fatty acid +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:25381 +name: monoalkyl phosphate +is_a: CHEBI:22324 ! alkyl phosphate + +[Term] +id: CHEBI:25384 +name: monocarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:25387 +name: monohydroxyacetophenone +is_a: CHEBI:24668 ! hydroxyacetophenone + +[Term] +id: CHEBI:25388 +name: monohydroxybenzoate +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:25389 +name: monohydroxybenzoic acid +is_a: CHEBI:24676 ! hydroxybenzoic acid + +[Term] +id: CHEBI:25392 +name: naphthols +is_a: CHEBI:24727 ! hydroxynaphthalene + +[Term] +id: CHEBI:25399 +name: cresol +is_a: CHEBI:24751 ! hydroxytoluene +is_a: CHEBI:87034 ! aromatic fungicide + +[Term] +id: CHEBI:25400 +name: monoiodotyrosine +is_a: CHEBI:24865 ! iodotyrosine + +[Term] +id: CHEBI:25401 +name: monomethoxyflavone +is_a: CHEBI:25241 ! methoxyflavone + +[Term] +id: CHEBI:25405 +name: monophosphoglyceric acid +is_a: CHEBI:24346 ! phosphoglyceric acid + +[Term] +id: CHEBI:25408 +name: monoterpene ketone +is_a: CHEBI:26872 ! terpene ketone + +[Term] +id: CHEBI:25409 +name: monoterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:25411 +name: monoterpenols +is_a: CHEBI:26874 ! terpenol + +[Term] +id: CHEBI:25412 +name: monoterpenyl phosphate +is_a: CHEBI:26875 ! terpenyl phosphate + +[Term] +id: CHEBI:25413 +name: monounsaturated fatty acid +is_a: CHEBI:27208 ! unsaturated fatty acid + +[Term] +id: CHEBI:25414 +name: monoatomic monocation +is_a: CHEBI:23906 ! monoatomic cation + +[Term] +id: CHEBI:25418 +name: morphinane alkaloid +is_a: CHEBI:24921 ! isoquinoline alkaloid + +[Term] +id: CHEBI:25422 +name: muconate semialdehyde +is_a: CHEBI:26643 ! aldehydic acid + +[Term] +id: CHEBI:25426 +name: mugineic acid +is_a: CHEBI:25427 ! mugineic acids + +[Term] +id: CHEBI:25427 +name: mugineic acids +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:46891 ! azetidinecarboxylic acid +relationship: has_role CHEBI:38155 ! phytosiderophore + +[Term] +id: CHEBI:25430 +name: monoatomic polycation +is_a: CHEBI:23906 ! monoatomic cation + +[Term] +id: CHEBI:25432 +name: muramic acids +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:63436 ! carbohydrate acid derivative + +[Term] +id: CHEBI:25435 +name: mutagen +is_a: CHEBI:50902 ! genotoxin + +[Term] +id: CHEBI:25437 +name: mycolates +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:25438 +name: mycolic acid +is_a: CHEBI:35819 ! branched-chain fatty acid + +[Term] +id: CHEBI:25441 +name: mycothiols +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:25442 +name: mycotoxin +is_a: CHEBI:27026 ! toxin +is_a: CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:25443 +name: myo-inositol bisphosphate +is_a: CHEBI:18087 ! myo-inositol polyphosphate + +[Term] +id: CHEBI:25444 +name: myo-inositol cyclic phosphate +is_a: CHEBI:84140 ! myo-inositol monophosphate derivative + +[Term] +id: CHEBI:25445 +name: myo-inositol hexakisphosphates +is_a: CHEBI:18087 ! myo-inositol polyphosphate + +[Term] +id: CHEBI:25446 +name: myo-inositol monophosphate +is_a: CHEBI:25448 ! myo-inositol phosphate + +[Term] +id: CHEBI:25447 +name: myo-inositol pentakisphosphate +is_a: CHEBI:18087 ! myo-inositol polyphosphate + +[Term] +id: CHEBI:25448 +name: myo-inositol phosphate +is_a: CHEBI:24846 ! inositol phosphate + +[Term] +id: CHEBI:25449 +name: myo-inositol tetrakisphosphate +is_a: CHEBI:18087 ! myo-inositol polyphosphate + +[Term] +id: CHEBI:25450 +name: myo-inositol trisphosphate +is_a: CHEBI:18087 ! myo-inositol polyphosphate + +[Term] +id: CHEBI:25477 +name: naphthalenes +is_a: CHEBI:33836 ! benzenoid aromatic compound +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:25478 +name: naphthalenesulfonate +is_a: CHEBI:22713 ! arenesulfonate oxoanion + +[Term] +id: CHEBI:25479 +name: naphthalenone +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:25481 +name: naphthoquinone +is_a: CHEBI:36141 ! quinone + +[Term] +id: CHEBI:25482 +name: naphthoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:25483 +name: naphthoic acid +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:33859 ! aromatic carboxylic acid + +[Term] +id: CHEBI:25491 +name: nematicide +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:25500 +name: neopterins +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:25501 +name: neoxanthin +is_a: CHEBI:35307 ! epoxycarotenol +is_a: CHEBI:37602 ! allenes + +[Term] +id: CHEBI:25506 +name: neuraminates +is_a: CHEBI:63561 ! ketoaldonate derivative + +[Term] +id: CHEBI:25508 +name: neuraminic acids +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:63394 ! ketoaldonic acid derivative + +[Term] +id: CHEBI:25512 +name: neurotransmitter +is_a: CHEBI:33280 ! molecular messenger + +[Term] +id: CHEBI:25513 +name: neutral glycosphingolipid +is_a: CHEBI:24402 ! glycosphingolipid + +[Term] +id: CHEBI:25516 +name: nickel cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:60248 ! nickel ion + +[Term] +id: CHEBI:25519 +name: nickel tetrapyrrole +is_a: CHEBI:33909 ! metallotetrapyrrole + +[Term] +id: CHEBI:25520 +name: nicotianamine +is_a: CHEBI:25427 ! mugineic acids + +[Term] +id: CHEBI:25523 +name: NADP +is_a: CHEBI:25524 ! NAD(P) + +[Term] +id: CHEBI:25524 +name: NAD(P) +is_a: CHEBI:37007 ! nicotinamide dinucleotide +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:25526 +name: N-glycosylnicotinamide +is_a: CHEBI:36979 ! N-glycosylpyridine + +[Term] +id: CHEBI:25527 +name: nicotinamide nucleotide +is_a: CHEBI:36980 ! pyridine nucleotide + +[Term] +id: CHEBI:25529 +name: pyridinecarboxamide +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:25533 +name: N-glycosylnicotinate +is_a: CHEBI:36979 ! N-glycosylpyridine + +[Term] +id: CHEBI:25534 +name: nicotinic acid nucleotide +is_a: CHEBI:36980 ! pyridine nucleotide + +[Term] +id: CHEBI:25540 +name: neonicotinoid insectide +is_a: CHEBI:24852 ! insecticide +is_a: CHEBI:47958 ! nicotinic acetylcholine receptor agonist +is_a: CHEBI:50910 ! neurotoxin + +[Term] +id: CHEBI:25548 +name: nitrilotriacetate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +is_a: CHEBI:39054 ! NTA + +[Term] +id: CHEBI:25550 +name: nitroaniline +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:48975 ! substituted aniline + +[Term] +id: CHEBI:25555 +name: nitrogen atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33300 ! pnictogen +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:25558 +name: organonitrogen heterocyclic antibiotic +is_a: CHEBI:24531 ! heterocyclic antibiotic +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:25560 +name: nitroglycerol +is_a: CHEBI:51080 ! nitrate ester + +[Term] +id: CHEBI:25562 +name: nitrophenol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35716 ! C-nitro compound + +[Term] +id: CHEBI:25566 +name: nitrotoluene +is_a: CHEBI:27024 ! toluenes +is_a: CHEBI:35716 ! C-nitro compound + +[Term] +id: CHEBI:25567 +name: nitrous acid +is_a: CHEBI:33455 ! nitrogen oxoacid + +[Term] +id: CHEBI:25572 +name: nocardicin +is_a: CHEBI:24983 ! ketoxime +is_a: CHEBI:27933 ! beta-lactam antibiotic +is_a: CHEBI:35627 ! beta-lactam +is_a: CHEBI:38777 ! azetidines + +[Term] +id: CHEBI:25575 +name: nonadienedioate +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion + +[Term] +id: CHEBI:25576 +name: nonadienedioic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid + +[Term] +id: CHEBI:25579 +name: nonanone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:25585 +name: nonmetal atom +is_a: CHEBI:33250 ! atom + +[Term] +id: CHEBI:2559 +name: aldohexose 6-phosphate +is_a: CHEBI:47877 ! hexose 6-phosphate + +[Term] +id: CHEBI:25591 +name: norcoclaurine +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:24923 ! isoquinolinol +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline + +[Term] +id: CHEBI:25604 +name: nucleotide-(amino alcohol)s +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:25605 +name: nucleoside antibiotic +is_a: CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:25608 +name: nucleoside phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester +is_a: CHEBI:61120 ! nucleobase-containing molecular entity + +[Term] +id: CHEBI:25609 +name: nucleotide-sugar +is_a: CHEBI:35241 ! nucleotide-carbohydrate +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:25614 +name: nylons +is_a: CHEBI:61445 ! poly(amide) polymer +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:25622 +name: orthoquinones +is_a: CHEBI:36141 ! quinone + +[Term] +id: CHEBI:25626 +name: octadecadienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25627 +name: octadecadienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:25629 +name: octadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78125 ! fatty acid anion 18:0 +is_a: CHEBI:83955 ! 2-saturated fatty acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25633 +name: octadecatrienoic acid +is_a: CHEBI:132502 ! fatty acid 18:3 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:25634 +name: octadecenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid + +[Term] +id: CHEBI:25635 +name: octadecenynoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25380 ! acetylenic fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:25636 +name: octadienediol +is_a: CHEBI:23824 ! diol + +[Term] +id: CHEBI:25637 +name: octadienoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:25639 +name: octadienol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:50582 ! alkenyl alcohol + +[Term] +id: CHEBI:25640 +name: octamethylcyclotetrasiloxane +is_a: CHEBI:25713 ! organosilicon compound +is_a: CHEBI:48144 ! cyclosiloxane + +[Term] +id: CHEBI:25646 +name: octanoate +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78117 ! fatty acid anion 8:0 +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25656 +name: octose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:25661 +name: oleandomycins +is_a: CHEBI:25106 ! macrolide +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:25676 +name: oligopeptide +is_a: CHEBI:16670 ! peptide + +[Term] +id: CHEBI:25681 +name: omega-3 fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59549 ! essential fatty acid +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25690 +name: ommatin +is_a: CHEBI:25692 ! ommochrome + +[Term] +id: CHEBI:25692 +name: ommochrome +is_a: CHEBI:25970 ! phenoxazine +is_a: CHEBI:33659 ! organic aromatic compound +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:25693 +name: organic heteromonocyclic compound +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:33670 ! heteromonocyclic compound + +[Term] +id: CHEBI:25696 +name: organic anion +is_a: CHEBI:22563 ! anion +is_a: CHEBI:25699 ! organic ion + +[Term] +id: CHEBI:25697 +name: organic cation +is_a: CHEBI:25699 ! organic ion +is_a: CHEBI:36916 ! cation + +[Term] +id: CHEBI:25698 +name: ether +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:25699 +name: organic ion +is_a: CHEBI:24870 ! ion +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:25701 +name: organic oxide +is_a: CHEBI:25741 ! oxide +is_a: CHEBI:72695 ! organic molecule + +[Term] +id: CHEBI:25702 +name: organic peroxide +is_a: CHEBI:25701 ! organic oxide +is_a: CHEBI:25940 ! peroxides + +[Term] +id: CHEBI:25703 +name: organic phosphate +is_a: CHEBI:25710 ! organophosphorus compound +is_a: CHEBI:26020 ! phosphate +is_a: CHEBI:26079 ! phosphoric acid derivative + +[Term] +id: CHEBI:25704 +name: organic sulfate +is_a: CHEBI:26820 ! sulfates +is_a: CHEBI:37826 ! sulfuric acid derivative + +[Term] +id: CHEBI:25705 +name: organochlorine insecticide +is_a: CHEBI:38656 ! organochlorine pesticide +relationship: has_role CHEBI:24852 ! insecticide + +[Term] +id: CHEBI:25706 +name: organomercury compound +is_a: CHEBI:25196 ! mercury molecular entity +is_a: CHEBI:25707 ! organometallic compound + +[Term] +id: CHEBI:25707 +name: organometallic compound +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:25708 +name: organophosphate insecticide +is_a: CHEBI:25711 ! organophosphorus insecticide + +[Term] +id: CHEBI:2571 +name: aliphatic alcohol +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:25710 +name: organophosphorus compound +is_a: CHEBI:26082 ! phosphorus molecular entity +is_a: CHEBI:33285 ! heteroorganic entity + +[Term] +id: CHEBI:25711 +name: organophosphorus insecticide +is_a: CHEBI:39093 ! organophosphorus pesticide +relationship: has_role CHEBI:24852 ! insecticide + +[Term] +id: CHEBI:25712 +name: organoselenium compound +is_a: CHEBI:26628 ! selenium molecular entity +is_a: CHEBI:36962 ! organochalcogen compound + +[Term] +id: CHEBI:25713 +name: organosilicon compound +is_a: CHEBI:26677 ! silicon molecular entity +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:25715 +name: organothiophosphate insecticide +is_a: CHEBI:25711 ! organophosphorus insecticide + +[Term] +id: CHEBI:25716 +name: organothiophosphorus compound +is_a: CHEBI:25710 ! organophosphorus compound +is_a: CHEBI:26835 ! sulfur molecular entity + +[Term] +id: CHEBI:25717 +name: organotin compound +is_a: CHEBI:25707 ! organometallic compound +is_a: CHEBI:27008 ! tin molecular entity + +[Term] +id: CHEBI:25718 +name: ornithine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative + +[Term] +id: CHEBI:25728 +name: osmolyte +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:25741 +name: oxide +is_a: CHEBI:25806 ! oxygen molecular entity +is_a: CHEBI:37577 ! heteroatomic molecular entity + +[Term] +id: CHEBI:25747 +name: oxidized luciferins +is_a: CHEBI:25078 ! luciferin + +[Term] +id: CHEBI:25750 +name: oxime +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:25753 +name: oxo-5beta-cholanic acid +is_a: CHEBI:36248 ! 5beta-cholanic acids + +[Term] +id: CHEBI:25754 +name: oxo carboxylic acid +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:25781 +name: hex-2-enedioate +is_a: CHEBI:36191 ! hexenedioate + +[Term] +id: CHEBI:25789 +name: hexenedioic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:25798 +name: oxopentanoates +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion + +[Term] +id: CHEBI:25799 +name: oxopentanoic acid +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:2580 +name: unsaturated fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:25801 +name: oxoproline +is_a: CHEBI:26273 ! proline derivative +is_a: CHEBI:38275 ! pyrrolidinone +is_a: CHEBI:46701 ! pyrrolidinemonocarboxylic acid + +[Term] +id: CHEBI:25805 +name: oxygen atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33303 ! chalcogen +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:25806 +name: oxygen molecular entity +is_a: CHEBI:33304 ! chalcogen molecular entity +relationship: has_part CHEBI:25805 ! oxygen atom + +[Term] +id: CHEBI:25807 +name: organooxygen heterocyclic antibiotic +is_a: CHEBI:24531 ! heterocyclic antibiotic + +[Term] +id: CHEBI:25810 +name: oxopurine +is_a: CHEBI:26401 ! purines + +[Term] +id: CHEBI:25812 +name: ozone +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:25362 ! elemental molecule +is_a: CHEBI:26523 ! reactive oxygen species +is_a: CHEBI:33265 ! triatomic oxygen +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:35204 ! tracer +relationship: has_role CHEBI:48218 ! antiseptic drug +relationship: has_role CHEBI:48219 ! disinfectant +relationship: has_role CHEBI:59739 ! electrophilic reagent +relationship: has_role CHEBI:63248 ! oxidising agent +relationship: has_role CHEBI:76413 ! greenhouse gas + +[Term] +id: CHEBI:25822 +name: p-cumate +is_a: CHEBI:23410 ! cumate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:25826 +name: p-menthane +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:25830 +name: p-quinones +is_a: CHEBI:36141 ! quinone + +[Term] +id: CHEBI:25835 +name: hexadecanoate ester +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:25838 +name: palmitoyl amino acid +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:25840 +name: palmitoyl-L-cysteine +is_a: CHEBI:25838 ! palmitoyl amino acid +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:25842 +name: palmityl group +is_a: CHEBI:22323 ! alkyl group + +[Term] +id: CHEBI:25845 +name: pantetheines +is_a: CHEBI:25848 ! pantothenic acids + +[Term] +id: CHEBI:25848 +name: pantothenic acids +is_a: CHEBI:22823 ! beta-alanine derivative +is_a: CHEBI:37622 ! carboxamide +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:27314 ! water-soluble vitamin + +[Term] +id: CHEBI:25858 +name: 1,7-dimethylxanthine +is_a: CHEBI:23818 ! dimethylxanthine +relationship: has_role CHEBI:35337 ! central nervous system stimulant +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:25863 +name: pelargonidin +is_a: CHEBI:140277 ! 5-hydroxyanthocyanidin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:25865 +name: penicillanic acids +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:35992 ! penams + +[Term] +id: CHEBI:25872 +name: pentacyclic triterpenoid +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:51958 ! organic polycyclic compound + +[Term] +id: CHEBI:25876 +name: pentadienoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:26666 ! short-chain fatty acid + +[Term] +id: CHEBI:25878 +name: pentaerythritol nitrate +is_a: CHEBI:51080 ! nitrate ester + +[Term] +id: CHEBI:25879 +name: pentaerythritol tetranitrate +is_a: CHEBI:25878 ! pentaerythritol nitrate +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:63490 ! explosive + +[Term] +id: CHEBI:2588 +name: Alkylated DNA +is_a: CHEBI:60027 ! polymer + +[Term] +id: CHEBI:25881 +name: pentahydroxycyclohexanone +is_a: CHEBI:24693 ! hydroxycyclohexanone + +[Term] +id: CHEBI:25883 +name: pentahydroxyflavone +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:25892 +name: pentanone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:25897 +name: pentenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:25898 +name: pentitol phosphate +is_a: CHEBI:22297 ! alditol phosphate +is_a: CHEBI:63434 ! pentitol derivative + +[Term] +id: CHEBI:25899 +name: pentitol +is_a: CHEBI:17522 ! alditol + +[Term] +id: CHEBI:25900 +name: aldopentose phosphate +is_a: CHEBI:35131 ! aldose phosphate +is_a: CHEBI:84055 ! pentose phosphate + +[Term] +id: CHEBI:25901 +name: pentose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:25903 +name: peptide antibiotic +is_a: CHEBI:16670 ! peptide +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:25905 +name: peptide hormone +is_a: CHEBI:16670 ! peptide +relationship: has_role CHEBI:24621 ! hormone + +[Term] +id: CHEBI:25907 +name: peptidyl group +is_a: CHEBI:27207 ! univalent carboacyl group + +[Term] +id: CHEBI:25909 +name: peptidyl-1-thioglycine +is_a: CHEBI:25921 ! peptidyl-glycine +is_a: CHEBI:26965 ! thioglycines + +[Term] +id: CHEBI:25914 +name: peptidyl-amino acid +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:25920 +name: peptidyl-glycine cholesteryl ester +is_a: CHEBI:24372 ! glycine cholesterol esters +is_a: CHEBI:25921 ! peptidyl-glycine + +[Term] +id: CHEBI:25921 +name: peptidyl-glycine +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:25914 ! peptidyl-amino acid + +[Term] +id: CHEBI:25940 +name: peroxides +is_a: CHEBI:25741 ! oxide +relationship: has_part CHEBI:29369 ! peroxy group + +[Term] +id: CHEBI:25941 +name: peroxynitrite +is_a: CHEBI:26523 ! reactive oxygen species +is_a: CHEBI:33458 ! nitrogen oxoanion +is_a: CHEBI:62764 ! reactive nitrogen species +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:25942 +name: peroxynitrous acid +is_a: CHEBI:33455 ! nitrogen oxoacid + +[Term] +id: CHEBI:25944 +name: pesticide +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:2596 +name: alliin +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:78840 ! olefinic compound +is_a: CHEBI:83824 ! L-cysteine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77307 ! cardioprotective agent + +[Term] +id: CHEBI:25961 +name: phenanthrenes +is_a: CHEBI:33836 ! benzenoid aromatic compound +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:25970 +name: phenoxazine +is_a: CHEBI:26979 ! organic heterotricyclic compound + +[Term] +id: CHEBI:25973 +name: phenylacetaldehydes +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:25979 +name: phenylacetonitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:22712 ! benzenes +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:25985 +name: phenylalanine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:25990 +name: phenylethanolamines +is_a: CHEBI:23981 ! ethanolamines + +[Term] +id: CHEBI:25998 +name: 3-phenyllactic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:26004 +name: phenylpropanoid +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:26008 +name: phenylpyruvate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:26013 +name: pheromone +is_a: CHEBI:26645 ! semiochemical + +[Term] +id: CHEBI:26020 +name: phosphate +is_a: CHEBI:26079 ! phosphoric acid derivative + +[Term] +id: CHEBI:26034 +name: phosphatidylinositol 3-phosphate +is_a: CHEBI:26036 ! phosphatidylinositol monophosphate + +[Term] +id: CHEBI:26036 +name: phosphatidylinositol monophosphate +is_a: CHEBI:28765 ! phosphatidylinositol phosphate + +[Term] +id: CHEBI:26044 +name: phosphinic acids +is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives + +[Term] +id: CHEBI:26045 +name: phosphite ion +is_a: CHEBI:33461 ! phosphorus oxoanion + +[Term] +id: CHEBI:26051 +name: phosphoamino acid +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:26057 +name: phosphoglycosphingolipid +is_a: CHEBI:24397 ! glycophospholipid +is_a: CHEBI:35786 ! phosphosphingolipid +is_a: CHEBI:36526 ! acidic glycosphingolipid + +[Term] +id: CHEBI:26066 +name: phosphonate +is_a: CHEBI:37588 ! phosphonic acid derivative + +[Term] +id: CHEBI:26069 +name: phosphonic acids +is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives + +[Term] +id: CHEBI:26073 +name: phosphopantetheine +is_a: CHEBI:25845 ! pantetheines +is_a: CHEBI:37481 ! amidoalkyl phosphate + +[Term] +id: CHEBI:26078 +name: phosphoric acid +is_a: CHEBI:59698 ! phosphoric acids +relationship: has_role CHEBI:33287 ! fertilizer +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:26079 +name: phosphoric acid derivative +is_a: CHEBI:36359 ! phosphorus oxoacid derivative + +[Term] +id: CHEBI:26082 +name: phosphorus molecular entity +is_a: CHEBI:33302 ! pnictogen molecular entity +relationship: has_part CHEBI:28659 ! phosphorus atom + +[Term] +id: CHEBI:26087 +name: photosynthetic electron-transport chain inhibitor +is_a: CHEBI:24527 ! herbicide +is_a: CHEBI:38496 ! electron-transport chain inhibitor + +[Term] +id: CHEBI:26092 +name: phthalate +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:26094 +name: benzenedicarboxylic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:26106 +name: phylloquinones +is_a: CHEBI:26127 ! phytylnaphthoquinone +is_a: CHEBI:26255 ! prenylquinone + +[Term] +id: CHEBI:26115 +name: phytoalexin +is_a: CHEBI:38231 ! phytotoxin + +[Term] +id: CHEBI:26116 +name: phytochromobilin +is_a: CHEBI:22869 ! bilins +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:82632 ! phytochrome chromophore + +[Term] +id: CHEBI:26118 +name: phytoecdysteroid +is_a: CHEBI:26124 ! phytosteroid + +[Term] +id: CHEBI:26119 +name: phytoene +is_a: CHEBI:35162 ! acyclic carotene + +[Term] +id: CHEBI:26120 +name: phytofluene +is_a: CHEBI:35162 ! acyclic carotene + +[Term] +id: CHEBI:26124 +name: phytosteroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:26125 +name: phytosterols +is_a: CHEBI:15889 ! sterol +is_a: CHEBI:26124 ! phytosteroid + +[Term] +id: CHEBI:26127 +name: phytylnaphthoquinone +is_a: CHEBI:25481 ! naphthoquinone + +[Term] +id: CHEBI:26130 +name: biological pigment +is_a: CHEBI:52208 ! biophysical role + +[Term] +id: CHEBI:26133 +name: pinane monoterpenoid +is_a: CHEBI:25409 ! monoterpenoid + +[Term] +id: CHEBI:26144 +name: piperazines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:26145 +name: piperideine +is_a: CHEBI:26921 ! tetrahydropyridine + +[Term] +id: CHEBI:26147 +name: piperidine alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:26151 ! piperidines + +[Term] +id: CHEBI:26148 +name: piperidinemonocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26151 ! piperidines + +[Term] +id: CHEBI:26151 +name: piperidines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:26153 +name: p-menthadien-3-one +is_a: CHEBI:25186 ! p-menthane monoterpenoid +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:26155 +name: plant growth regulator +is_a: CHEBI:39317 ! growth regulator + +[Term] +id: CHEBI:26167 +name: polar amino acid +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:26172 +name: poly(ribitol phosphate)s +is_a: CHEBI:26554 ! ribitol phosphate + +[Term] +id: CHEBI:26174 +name: poly(N-acetyllactosamine) +is_a: CHEBI:22506 ! aminoglycan +relationship: has_role CHEBI:52214 ! ligand +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:26177 +name: polyene antibiotic +is_a: CHEBI:33822 ! organic hydroxy compound +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:26178 +name: polyester macromolecule +is_a: CHEBI:33839 ! macromolecule +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:26179 +name: polyether antibiotic +is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic + +[Term] +id: CHEBI:26185 +name: polyprenyl glycosyl phosphate +is_a: CHEBI:26187 ! polyprenyl phospho carbohydrate + +[Term] +id: CHEBI:26186 +name: polyprenyl phospho oligosaccharide +is_a: CHEBI:16916 ! oligosaccharide phosphate +is_a: CHEBI:26187 ! polyprenyl phospho carbohydrate + +[Term] +id: CHEBI:26187 +name: polyprenyl phospho carbohydrate +is_a: CHEBI:16460 ! polyprenol phosphate +is_a: CHEBI:24397 ! glycophospholipid +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:26188 +name: polyketide +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:26191 +name: polyol +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:26195 +name: polyphenol +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:26196 +name: polyphenylpropanoid +is_a: CHEBI:26004 ! phenylpropanoid + +[Term] +id: CHEBI:26199 +name: polyprenol +is_a: CHEBI:26244 ! prenols + +[Term] +id: CHEBI:26203 +name: polyprenol triphosphate +is_a: CHEBI:16460 ! polyprenol phosphate + +[Term] +id: CHEBI:26207 +name: polyterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:26208 +name: polyunsaturated fatty acid +is_a: CHEBI:27208 ! unsaturated fatty acid + +[Term] +id: CHEBI:26214 +name: porphyrins +is_a: CHEBI:36309 ! cyclic tetrapyrrole +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:26216 +name: potassium atom +is_a: CHEBI:22314 ! alkali metal atom +relationship: has_role CHEBI:33937 ! macronutrient +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:26217 +name: potassium molecular entity +is_a: CHEBI:33296 ! alkali metal molecular entity +relationship: has_part CHEBI:26216 ! potassium atom + +[Term] +id: CHEBI:26228 +name: precorrin +is_a: CHEBI:33913 ! corrinoid + +[Term] +id: CHEBI:26244 +name: prenols +is_a: CHEBI:24913 ! isoprenoid +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:26248 +name: prenyl group +is_a: CHEBI:26249 ! prenyl groups +is_a: CHEBI:37614 ! alkenyl group + +[Term] +id: CHEBI:26249 +name: prenyl groups +is_a: CHEBI:33248 ! hydrocarbyl group + +[Term] +id: CHEBI:26250 +name: prenol phosphate +is_a: CHEBI:37841 ! isoprenoid phosphate + +[Term] +id: CHEBI:26253 +name: polyprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones + +[Term] +id: CHEBI:26254 +name: prenylnaphthoquinone +is_a: CHEBI:25481 ! naphthoquinone +is_a: CHEBI:26255 ! prenylquinone + +[Term] +id: CHEBI:26255 +name: prenylquinone +is_a: CHEBI:25830 ! p-quinones + +[Term] +id: CHEBI:26267 +name: proanthocyanidin +is_a: CHEBI:26848 ! tannin +is_a: CHEBI:72720 ! flavonoid oligomer + +[Term] +id: CHEBI:26271 +name: proline +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:38260 ! pyrrolidines +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:26273 +name: proline derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:26279 +name: propan-1-ols +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:26282 +name: propanals +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:26284 +name: propane-1,2-diols +is_a: CHEBI:26288 ! propanediol + +[Term] +id: CHEBI:26287 +name: propane-1,3-diols +is_a: CHEBI:26288 ! propanediol + +[Term] +id: CHEBI:26288 +name: propanediol +is_a: CHEBI:13643 ! glycol + +[Term] +id: CHEBI:26292 +name: propanones +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:26296 +name: propanoyl-CoAs +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:26300 +name: propenol +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:26313 +name: propynol +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:26333 +name: prostaglandin +is_a: CHEBI:26347 ! prostanoid + +[Term] +id: CHEBI:26334 +name: prostaglandins A +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:26335 +name: prostaglandins B +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:26336 +name: prostaglandins C +is_a: CHEBI:26333 ! prostaglandin + +[Term] +id: CHEBI:26337 +name: prostaglandins D +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36132 ! alicyclic ketone + +[Term] +id: CHEBI:26338 +name: prostaglandins E +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:2634 +name: amidine +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:26340 +name: prostaglandins F +is_a: CHEBI:26333 ! prostaglandin + +[Term] +id: CHEBI:26343 +name: prostaglandins G +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:35990 ! bridged compound + +[Term] +id: CHEBI:26344 +name: prostaglandins H +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:35990 ! bridged compound + +[Term] +id: CHEBI:26345 +name: prostaglandins I +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:47783 ! cyclopentafuran + +[Term] +id: CHEBI:26346 +name: prostaglandins J +is_a: CHEBI:26333 ! prostaglandin +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:26347 +name: prostanoid +is_a: CHEBI:23899 ! icosanoid + +[Term] +id: CHEBI:26348 +name: prosthetic group +is_a: CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:26349 +name: proteochondroitin sulfate +is_a: CHEBI:35722 ! sulfated glycosaminoglycan +is_a: CHEBI:37396 ! proteoglycan + +[Term] +id: CHEBI:26354 +name: protochlorophyllides +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:26355 +name: heme b +is_a: CHEBI:30413 ! heme +is_a: CHEBI:36158 ! metalloprotoporphyrin + +[Term] +id: CHEBI:26361 +name: protoporphyrins +is_a: CHEBI:26214 ! porphyrins + +[Term] +id: CHEBI:26366 +name: pseudouridines +is_a: CHEBI:36991 ! C-glycosyl pyrimidine + +[Term] +id: CHEBI:26369 +name: psoralens +is_a: CHEBI:24128 ! furanocoumarin + +[Term] +id: CHEBI:26373 +name: pteridines +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:33833 ! heteroarene +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:26374 +name: pterin +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:26375 +name: pterins +is_a: CHEBI:26373 ! pteridines + +[Term] +id: CHEBI:26377 +name: pterocarpans +is_a: CHEBI:38834 ! benzofurochromene +is_a: CHEBI:72544 ! flavonoids + +[Term] +id: CHEBI:26381 +name: p-menth-4(8)-en-3-one +is_a: CHEBI:25186 ! p-menthane monoterpenoid +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:26384 +name: pullulans +is_a: CHEBI:24384 ! glycogens + +[Term] +id: CHEBI:26385 +name: purine alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:26401 ! purines + +[Term] +id: CHEBI:26386 +name: purine nucleobase +is_a: CHEBI:18282 ! nucleobase +is_a: CHEBI:26401 ! purines + +[Term] +id: CHEBI:26387 +name: purine 2'-deoxyribonucleoside diphosphate +is_a: CHEBI:17955 ! 2'-deoxyribonucleoside diphosphate +is_a: CHEBI:26391 ! purine nucleoside diphosphate + +[Term] +id: CHEBI:26388 +name: purine 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:19257 ! 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:26392 ! purine nucleoside monophosphate + +[Term] +id: CHEBI:26389 +name: purine deoxyribonucleoside triphosphate +is_a: CHEBI:16516 ! 2'-deoxyribonucleoside triphosphate +is_a: CHEBI:26393 ! purine nucleoside triphosphate + +[Term] +id: CHEBI:2639 +name: amiloride +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:38314 ! pyrazines +relationship: has_role CHEBI:35498 ! diuretic +relationship: has_role CHEBI:38633 ! sodium channel blocker + +[Term] +id: CHEBI:26390 +name: purine 2'-deoxyribonucleotide +is_a: CHEBI:19260 ! 2'-deoxyribonucleotide +is_a: CHEBI:26395 ! purine nucleotide + +[Term] +id: CHEBI:26391 +name: purine nucleoside diphosphate +is_a: CHEBI:16862 ! nucleoside diphosphate + +[Term] +id: CHEBI:26392 +name: purine nucleoside monophosphate +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate + +[Term] +id: CHEBI:26393 +name: purine nucleoside triphosphate +is_a: CHEBI:17326 ! nucleoside triphosphate + +[Term] +id: CHEBI:26394 +name: purine nucleoside +is_a: CHEBI:26401 ! purines +is_a: CHEBI:33838 ! nucleoside + +[Term] +id: CHEBI:26395 +name: purine nucleotide +is_a: CHEBI:26401 ! purines +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:26396 +name: purine ribonucleoside diphosphate +is_a: CHEBI:17668 ! ribonucleoside diphosphate +is_a: CHEBI:26391 ! purine nucleoside diphosphate + +[Term] +id: CHEBI:26397 +name: purine ribonucleoside monophosphate +is_a: CHEBI:26392 ! purine nucleoside monophosphate +is_a: CHEBI:26558 ! ribonucleoside monophosphate + +[Term] +id: CHEBI:26398 +name: purine ribonucleoside triphosphate +is_a: CHEBI:17972 ! ribonucleoside triphosphate +is_a: CHEBI:26393 ! purine nucleoside triphosphate + +[Term] +id: CHEBI:26399 +name: purine ribonucleoside +is_a: CHEBI:18254 ! ribonucleoside +is_a: CHEBI:26394 ! purine nucleoside + +[Term] +id: CHEBI:26400 +name: purine ribonucleotide +is_a: CHEBI:26395 ! purine nucleotide +is_a: CHEBI:26561 ! ribonucleotide + +[Term] +id: CHEBI:26401 +name: purines +is_a: CHEBI:35875 ! imidazopyrimidine + +[Term] +id: CHEBI:26404 +name: puromycins +is_a: CHEBI:22260 ! adenosines +relationship: has_role CHEBI:25605 ! nucleoside antibiotic + +[Term] +id: CHEBI:26406 +name: N-substituted putrescine +is_a: CHEBI:50441 ! N-substituted diamine + +[Term] +id: CHEBI:26407 +name: pyrans +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:26410 +name: pyrazoles +is_a: CHEBI:23677 ! diazole + +[Term] +id: CHEBI:26413 +name: pyrethroid insecticide +is_a: CHEBI:24852 ! insecticide +is_a: CHEBI:39000 ! sodium channel modulator + +[Term] +id: CHEBI:26414 +name: pyridazinone +is_a: CHEBI:37921 ! pyridazines + +[Term] +id: CHEBI:26416 +name: pyridine alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:26420 +name: pyridinemonocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:33859 ! aromatic carboxylic acid + +[Term] +id: CHEBI:26421 +name: pyridines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:26432 +name: pyrimidine nucleobase +is_a: CHEBI:18282 ! nucleobase +is_a: CHEBI:39447 ! pyrimidines + +[Term] +id: CHEBI:26433 +name: pyrimidine 2'-deoxyribonucleoside diphosphate +is_a: CHEBI:17955 ! 2'-deoxyribonucleoside diphosphate +is_a: CHEBI:26437 ! pyrimidine nucleoside diphosphate + +[Term] +id: CHEBI:26434 +name: pyrimidine 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:19257 ! 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:26438 ! pyrimidine nucleoside monophosphate + +[Term] +id: CHEBI:26435 +name: pyrimidine deoxyribonucleoside triphosphate +is_a: CHEBI:16516 ! 2'-deoxyribonucleoside triphosphate +is_a: CHEBI:26439 ! pyrimidine nucleoside triphosphate + +[Term] +id: CHEBI:26436 +name: pyrimidine 2'-deoxyribonucleotide +is_a: CHEBI:19260 ! 2'-deoxyribonucleotide +is_a: CHEBI:26441 ! pyrimidine nucleotide + +[Term] +id: CHEBI:26437 +name: pyrimidine nucleoside diphosphate +is_a: CHEBI:16862 ! nucleoside diphosphate + +[Term] +id: CHEBI:26438 +name: pyrimidine nucleoside monophosphate +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate + +[Term] +id: CHEBI:26439 +name: pyrimidine nucleoside triphosphate +is_a: CHEBI:17326 ! nucleoside triphosphate + +[Term] +id: CHEBI:26440 +name: pyrimidine nucleoside +is_a: CHEBI:33838 ! nucleoside +is_a: CHEBI:39447 ! pyrimidines + +[Term] +id: CHEBI:26441 +name: pyrimidine nucleotide +is_a: CHEBI:36976 ! nucleotide +is_a: CHEBI:39447 ! pyrimidines + +[Term] +id: CHEBI:26442 +name: pyrimidine ribonucleoside diphosphate +is_a: CHEBI:17668 ! ribonucleoside diphosphate +is_a: CHEBI:26437 ! pyrimidine nucleoside diphosphate + +[Term] +id: CHEBI:26443 +name: pyrimidine ribonucleoside monophosphate +is_a: CHEBI:26438 ! pyrimidine nucleoside monophosphate +is_a: CHEBI:26558 ! ribonucleoside monophosphate + +[Term] +id: CHEBI:26444 +name: pyrimidine ribonucleoside triphosphate +is_a: CHEBI:17972 ! ribonucleoside triphosphate +is_a: CHEBI:26439 ! pyrimidine nucleoside triphosphate + +[Term] +id: CHEBI:26446 +name: pyrimidine ribonucleotide +is_a: CHEBI:26441 ! pyrimidine nucleotide +is_a: CHEBI:26561 ! ribonucleotide + +[Term] +id: CHEBI:26447 +name: pyrimidinemonocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:78574 ! pyrimidinecarboxylic acid + +[Term] +id: CHEBI:26452 +name: pyrrolecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:26454 +name: pyrrolecarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26455 ! pyrroles + +[Term] +id: CHEBI:26455 +name: pyrroles +is_a: CHEBI:68452 ! azole + +[Term] +id: CHEBI:26456 +name: pyrrolidine alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:38260 ! pyrrolidines + +[Term] +id: CHEBI:26457 +name: 1-pyrrolinecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:26461 +name: pyrroloquinoline cofactor +is_a: CHEBI:50918 ! pyrroloquinoline +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:26463 +name: pyruvate family amino acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid + +[Term] +id: CHEBI:26469 +name: quaternary nitrogen compound +is_a: CHEBI:35352 ! organonitrogen compound +relationship: has_part CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:26481 +name: quercetin bissulfate +is_a: CHEBI:26482 ! quercetin sulfate + +[Term] +id: CHEBI:26482 +name: quercetin sulfate +is_a: CHEBI:37840 ! hydroxyflavone sulfate + +[Term] +id: CHEBI:26483 +name: quercetin trissulfate +is_a: CHEBI:26482 ! quercetin sulfate + +[Term] +id: CHEBI:26490 +name: quinate +is_a: CHEBI:36125 ! cyclitol carboxylic acid anion + +[Term] +id: CHEBI:26493 +name: quinic acid +is_a: CHEBI:36123 ! cyclitol carboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:26507 +name: dihydroxyquinoline +is_a: CHEBI:38774 ! hydroxyquinoline + +[Term] +id: CHEBI:26508 +name: quinoline N-oxide +is_a: CHEBI:26513 ! quinolines +is_a: CHEBI:35580 ! N-oxide + +[Term] +id: CHEBI:26509 +name: quinoline alkaloid +is_a: CHEBI:22315 ! alkaloid + +[Term] +id: CHEBI:2651 +name: alpha-aminoacyl-tRNA +is_a: CHEBI:33697 ! ribonucleic acid + +[Term] +id: CHEBI:26512 +name: quinolinemonocarboxylic acid +is_a: CHEBI:26513 ! quinolines +is_a: CHEBI:33859 ! aromatic carboxylic acid + +[Term] +id: CHEBI:26513 +name: quinolines +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:26515 +name: quinolizidine alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:26516 ! quinolizidines + +[Term] +id: CHEBI:26516 +name: quinolizidines +is_a: CHEBI:38063 ! quinolizines + +[Term] +id: CHEBI:26519 +name: radical +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:26523 +name: reactive oxygen species +is_a: CHEBI:25806 ! oxygen molecular entity + +[Term] +id: CHEBI:26533 +name: reticuline +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:24923 ! isoquinolinol +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:26534 +name: retinals +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:26537 ! retinoid + +[Term] +id: CHEBI:26536 +name: retinoic acid +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:26537 +name: retinoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:26543 +name: rhamnogalacturonan +is_a: CHEBI:24174 ! galacturonan + +[Term] +id: CHEBI:26544 +name: rhamnonate +is_a: CHEBI:33865 ! rhamnonates + +[Term] +id: CHEBI:26545 +name: rhamnonolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:26546 +name: rhamnose +is_a: CHEBI:33983 ! deoxymannose +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:26547 +name: rhamnoside +is_a: CHEBI:35315 ! deoxy hexoside + +[Term] +id: CHEBI:26548 +name: rhamnosylglucoside +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:26554 +name: ribitol phosphate +is_a: CHEBI:25898 ! pentitol phosphate + +[Term] +id: CHEBI:26556 +name: 1-ribosylimidazolecarboxamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:37293 ! 1-ribosylimidazole + +[Term] +id: CHEBI:26558 +name: ribonucleoside monophosphate +is_a: CHEBI:17188 ! nucleoside 5'-monophosphate + +[Term] +id: CHEBI:26561 +name: ribonucleotide +is_a: CHEBI:26562 ! ribose phosphate +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:26562 +name: ribose phosphate +is_a: CHEBI:25900 ! aldopentose phosphate + +[Term] +id: CHEBI:26563 +name: ribose triphosphate +is_a: CHEBI:26562 ! ribose phosphate + +[Term] +id: CHEBI:26568 +name: ribosylamine +is_a: CHEBI:21731 ! N-glycosyl compound + +[Term] +id: CHEBI:26573 +name: ribulose phosphate +is_a: CHEBI:33956 ! ribulose derivative + +[Term] +id: CHEBI:26580 +name: rifamycins +is_a: CHEBI:22565 ! ansamycin +is_a: CHEBI:39270 ! naphthofuran + +[Term] +id: CHEBI:26587 +name: rutinoside +is_a: CHEBI:26548 ! rhamnosylglucoside + +[Term] +id: CHEBI:26588 +name: 1,3,5-triazines +is_a: CHEBI:38102 ! triazines + +[Term] +id: CHEBI:26590 +name: sabinol +is_a: CHEBI:25186 ! p-menthane monoterpenoid + +[Term] +id: CHEBI:26596 +name: salicylates +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:26600 +name: salutaridinol +is_a: CHEBI:25418 ! morphinane alkaloid + +[Term] +id: CHEBI:26604 +name: santonin +is_a: CHEBI:37667 ! sesquiterpene lactone +is_a: CHEBI:39270 ! naphthofuran +relationship: has_role CHEBI:35443 ! anthelminthic drug + +[Term] +id: CHEBI:26605 +name: saponin +is_a: CHEBI:24400 ! glycoside +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:26606 +name: sapogenin +is_a: CHEBI:51958 ! organic polycyclic compound + +[Term] +id: CHEBI:26607 +name: saturated fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:26613 +name: scyllo-inositol phosphate +is_a: CHEBI:24846 ! inositol phosphate + +[Term] +id: CHEBI:26616 +name: seco-androstane +is_a: CHEBI:35788 ! seco-steroid + +[Term] +id: CHEBI:26628 +name: selenium molecular entity +is_a: CHEBI:33304 ! chalcogen molecular entity +relationship: has_part CHEBI:27568 ! selenium atom + +[Term] +id: CHEBI:26629 +name: selenoamino acid +is_a: CHEBI:25712 ! organoselenium compound + +[Term] +id: CHEBI:26630 +name: selenocystathionine +is_a: CHEBI:23505 ! cystathionines +is_a: CHEBI:26629 ! selenoamino acid + +[Term] +id: CHEBI:26632 +name: selenocysteines +is_a: CHEBI:26629 ! selenoamino acid + +[Term] +id: CHEBI:26634 +name: selenodiglutathione +is_a: CHEBI:24337 ! glutathione derivative +is_a: CHEBI:64726 ! thioselenide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:26640 +name: selenomethionines +is_a: CHEBI:26628 ! selenium molecular entity + +[Term] +id: CHEBI:26642 +name: selenous acid +is_a: CHEBI:33489 ! selenium oxoacid + +[Term] +id: CHEBI:26643 +name: aldehydic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:26645 +name: semiochemical +is_a: CHEBI:33280 ! molecular messenger + +[Term] +id: CHEBI:26649 +name: serine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:26650 +name: serine family amino acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid + +[Term] +id: CHEBI:26658 +name: sesquiterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:26660 +name: sesterterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:26666 +name: short-chain fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:26667 +name: sialic acid +is_a: CHEBI:25508 ! neuraminic acids + +[Term] +id: CHEBI:26672 +name: siderophore +is_a: CHEBI:23357 ! cofactor +is_a: CHEBI:24028 ! iron(3+) chelator +is_a: CHEBI:24874 ! iron ionophore + +[Term] +id: CHEBI:26673 +name: organosilanediol +is_a: CHEBI:25713 ! organosilicon compound +is_a: CHEBI:46890 ! silicon hydroxide + +[Term] +id: CHEBI:26675 +name: silicic acid +is_a: CHEBI:33328 ! silicon oxoacid + +[Term] +id: CHEBI:26677 +name: silicon molecular entity +is_a: CHEBI:33582 ! carbon group molecular entity +relationship: has_part CHEBI:27573 ! silicon atom + +[Term] +id: CHEBI:26689 +name: singlet dioxygen +is_a: CHEBI:15379 ! dioxygen +is_a: CHEBI:26523 ! reactive oxygen species + +[Term] +id: CHEBI:26706 +name: sn-glycerol 3-phosphates +is_a: CHEBI:26707 ! glycerol phosphate + +[Term] +id: CHEBI:26707 +name: glycerol phosphate +is_a: CHEBI:22297 ! alditol phosphate + +[Term] +id: CHEBI:26708 +name: sodium atom +is_a: CHEBI:22314 ! alkali metal atom +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:26712 +name: sodium molecular entity +is_a: CHEBI:33296 ! alkali metal molecular entity +relationship: has_part CHEBI:26708 ! sodium atom + +[Term] +id: CHEBI:26714 +name: sodium salt +is_a: CHEBI:26712 ! sodium molecular entity +is_a: CHEBI:35479 ! alkali metal salt +relationship: has_part CHEBI:29101 ! sodium(1+) + +[Term] +id: CHEBI:26725 +name: glucitol phosphate +is_a: CHEBI:24582 ! hexitol phosphate + +[Term] +id: CHEBI:26735 +name: substituted spermine +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:26738 +name: sphingenine +is_a: CHEBI:46963 ! 2-aminooctadecene-1,3-diol + +[Term] +id: CHEBI:26739 +name: sphingolipid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:26743 +name: sphing-4-enine +is_a: CHEBI:26738 ! sphingenine +is_a: CHEBI:46964 ! 2-aminooctadec-4-ene-1,3-diol + +[Term] +id: CHEBI:26745 +name: spirostan +is_a: CHEBI:35508 ! steroid fundamental parent +is_a: CHEBI:37948 ! oxaspiro compound + +[Term] +id: CHEBI:26747 +name: squalene triterpenoid +is_a: CHEBI:36615 ! triterpenoid + +[Term] +id: CHEBI:26759 +name: sterigmatocystins +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38180 ! polycyclic heteroarene +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:26761 +name: steroid antibiotic +is_a: CHEBI:35341 ! steroid +is_a: CHEBI:49319 ! carbocyclic antibiotic + +[Term] +id: CHEBI:26763 +name: steroid glucosiduronic acid +is_a: CHEBI:24302 ! glucosiduronic acid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:26764 +name: steroid hormone +is_a: CHEBI:35341 ! steroid +relationship: has_role CHEBI:24621 ! hormone + +[Term] +id: CHEBI:26766 +name: steroid lactone +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:26773 +name: stigmastane +is_a: CHEBI:35508 ! steroid fundamental parent + +[Term] +id: CHEBI:26775 +name: stilbene +is_a: CHEBI:26776 ! stilbenoid +is_a: CHEBI:33645 ! acyclic olefin + +[Term] +id: CHEBI:26776 +name: stilbenoid +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:26787 +name: streptomycin phosphate +is_a: CHEBI:26788 ! streptomycins +is_a: CHEBI:36974 ! aminoglycoside phosphate + +[Term] +id: CHEBI:26788 +name: streptomycins +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:22507 ! aminoglycoside antibiotic + +[Term] +id: CHEBI:26789 +name: streptothricin +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:37622 ! carboxamide +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:2679 +name: amphetamine +is_a: CHEBI:35338 ! amphetamines +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:42724 ! (R)-amphetamine +relationship: has_part CHEBI:4469 ! (S)-amphetamine +relationship: has_role CHEBI:35523 ! bronchodilator agent +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:37962 ! adrenergic agent +relationship: has_role CHEBI:48560 ! dopaminergic agent +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:26799 +name: styrenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:26806 +name: succinate +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:26816 +name: carbohydrate phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:26819 +name: sulfuric ester +is_a: CHEBI:35701 ! ester +is_a: CHEBI:37826 ! sulfuric acid derivative + +[Term] +id: CHEBI:26820 +name: sulfates +is_a: CHEBI:37826 ! sulfuric acid derivative + +[Term] +id: CHEBI:26822 +name: sulfide +is_a: CHEBI:26835 ! sulfur molecular entity + +[Term] +id: CHEBI:26825 +name: sulfobenzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:33555 ! arenesulfonic acid + +[Term] +id: CHEBI:26826 +name: dihydroxybenzenesulfonic acid +is_a: CHEBI:33555 ! arenesulfonic acid +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:26829 +name: sulfoglycolipid +is_a: CHEBI:33563 ! glycolipid +is_a: CHEBI:35724 ! carbohydrate sulfate +is_a: CHEBI:61384 ! sulfolipid + +[Term] +id: CHEBI:26830 +name: sulfonium compound +is_a: CHEBI:26835 ! sulfur molecular entity + +[Term] +id: CHEBI:26831 +name: N,N''-sulfonyldiurea +is_a: CHEBI:38038 ! sulfuric amide +is_a: CHEBI:47857 ! ureas +relationship: has_role CHEBI:22180 ! EC 2.2.1.6 (acetolactate synthase) inhibitor + +[Term] +id: CHEBI:26833 +name: sulfur atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33303 ! chalcogen +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:26834 +name: sulfur-containing amino acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:26835 +name: sulfur molecular entity +is_a: CHEBI:33304 ! chalcogen molecular entity +relationship: has_part CHEBI:26833 ! sulfur atom + +[Term] +id: CHEBI:26836 +name: sulfuric acid +is_a: CHEBI:33402 ! sulfur oxoacid +relationship: has_role CHEBI:35223 ! catalyst + +[Term] +id: CHEBI:26841 +name: synthetic auxin +is_a: CHEBI:22676 ! auxin +is_a: CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:26845 +name: tagaturonic acid +is_a: CHEBI:33899 ! tagaturonic acids + +[Term] +id: CHEBI:26847 +name: altraric acid +is_a: CHEBI:24577 ! hexaric acid + +[Term] +id: CHEBI:26848 +name: tannin +is_a: CHEBI:26195 ! polyphenol +relationship: has_role CHEBI:74783 ! astringent + +[Term] +id: CHEBI:26849 +name: tartaric acid +is_a: CHEBI:15674 ! 2,3-dihydroxybutanedioic acid + +[Term] +id: CHEBI:26863 +name: teasterone +is_a: CHEBI:26124 ! phytosteroid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:36866 ! 23-hydroxy steroid +is_a: CHEBI:36883 ! 6-oxo steroid + +[Term] +id: CHEBI:26872 +name: terpene ketone +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:26873 +name: terpenoid +is_a: CHEBI:24913 ! isoprenoid + +[Term] +id: CHEBI:26874 +name: terpenol +is_a: CHEBI:15734 ! primary alcohol + +[Term] +id: CHEBI:26875 +name: terpenyl phosphate +is_a: CHEBI:26873 ! terpenoid +is_a: CHEBI:37841 ! isoprenoid phosphate + +[Term] +id: CHEBI:26876 +name: terpineol +is_a: CHEBI:25186 ! p-menthane monoterpenoid +is_a: CHEBI:25411 ! monoterpenols + +[Term] +id: CHEBI:26878 +name: tertiary alcohol +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:26888 +name: tetrachlorobenzene +is_a: CHEBI:23132 ! chlorobenzenes + +[Term] +id: CHEBI:26893 +name: tetracyclic triterpenoid +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:51958 ! organic polycyclic compound + +[Term] +id: CHEBI:26895 +name: tetracyclines +is_a: CHEBI:26188 ! polyketide +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:26900 +name: tetradecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA + +[Term] +id: CHEBI:26901 +name: benzyltetrahydroisoquinoline +is_a: CHEBI:24922 ! isoquinolines + +[Term] +id: CHEBI:26904 +name: tetrahydrocorphin +is_a: CHEBI:25519 ! nickel tetrapyrrole +is_a: CHEBI:36311 ! corphinoid + +[Term] +id: CHEBI:26907 +name: tetrahydrofolic acid +is_a: CHEBI:37445 ! folic acids + +[Term] +id: CHEBI:26908 +name: tetrahydrofolyl glutamate +is_a: CHEBI:24317 ! L-glutamine derivative +is_a: CHEBI:37445 ! folic acids + +[Term] +id: CHEBI:26911 +name: oxolane +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:26912 ! oxolanes +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:37407 ! cyclic ether +relationship: has_role CHEBI:48358 ! polar aprotic solvent + +[Term] +id: CHEBI:26912 +name: oxolanes +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:26914 +name: tetrahydromethanopterin +is_a: CHEBI:37669 ! methanopterins + +[Term] +id: CHEBI:26916 +name: tetrahydronicotinamide adenine dinucleotide +is_a: CHEBI:13389 ! NAD + +[Term] +id: CHEBI:26920 +name: tetrahydropteroyltri-L-glutamate +is_a: CHEBI:83982 ! L-glutamic acid derivative + +[Term] +id: CHEBI:26921 +name: tetrahydropyridine +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:26925 +name: naphthalenetetrol +is_a: CHEBI:24727 ! hydroxynaphthalene + +[Term] +id: CHEBI:26932 +name: tetrapyrrole +is_a: CHEBI:33833 ! heteroarene +is_a: CHEBI:38077 ! polypyrrole + +[Term] +id: CHEBI:26933 +name: tetraric acid +is_a: CHEBI:22290 ! aldaric acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid + +[Term] +id: CHEBI:26935 +name: tetraterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:26936 +name: tetrathionate ion +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:26937 +name: monoatomic tetracation +is_a: CHEBI:25430 ! monoatomic polycation + +[Term] +id: CHEBI:26938 +name: tetrose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:26945 +name: thiamine phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester +is_a: CHEBI:38338 ! aminopyrimidine + +[Term] +id: CHEBI:26948 +name: thiamine +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:38418 ! 1,3-thiazoles +relationship: has_role CHEBI:75769 ! B vitamin + +[Term] +id: CHEBI:26952 +name: thioacetic acid +is_a: CHEBI:35737 ! monothiocarboxylic acid + +[Term] +id: CHEBI:26953 +name: thioadenosine +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:26955 +name: thiocyanates +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:26959 +name: thiocarboxylic ester +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:26961 +name: thiophenes +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:26965 +name: thioglycines +is_a: CHEBI:24373 ! glycine derivative + +[Term] +id: CHEBI:26975 +name: thioribose phosphate +is_a: CHEBI:26562 ! ribose phosphate +is_a: CHEBI:26976 ! thioribose + +[Term] +id: CHEBI:26976 +name: thioribose +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:74864 ! ribose derivative + +[Term] +id: CHEBI:26977 +name: thiosulfate +is_a: CHEBI:37827 ! thiosulfuric acid derivative + +[Term] +id: CHEBI:26979 +name: organic heterotricyclic compound +is_a: CHEBI:36688 ! heterotricyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound +is_a: CHEBI:51959 ! organic tricyclic compound + +[Term] +id: CHEBI:26980 +name: tetritol phosphate +is_a: CHEBI:22297 ! alditol phosphate +is_a: CHEBI:63435 ! tetritol derivative + +[Term] +id: CHEBI:26981 +name: threitol +is_a: CHEBI:48299 ! butane-1,2,3,4-tetrol + +[Term] +id: CHEBI:26984 +name: threonic acid +is_a: CHEBI:49060 ! 2,3,4-trihydroxybutanoic acid + +[Term] +id: CHEBI:26986 +name: threonine +is_a: CHEBI:38263 ! 2-amino-3-hydroxybutanoic acid +relationship: has_part CHEBI:50341 ! 1-hydroxyethyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:26987 +name: threonine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:26992 +name: threoses +is_a: CHEBI:33915 ! aldotetrose + +[Term] +id: CHEBI:26995 +name: thromboxane +is_a: CHEBI:26347 ! prostanoid + +[Term] +id: CHEBI:26996 +name: thromboxanes B +is_a: CHEBI:26995 ! thromboxane +is_a: CHEBI:38131 ! lactol + +[Term] +id: CHEBI:2700 +name: anandamide +is_a: CHEBI:134161 ! N-acylethanolamine 20:4 +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:27001 +name: thymidine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:27007 +name: tin atom +is_a: CHEBI:33306 ! carbon group element atom +is_a: CHEBI:33521 ! metal atom +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:27008 +name: tin molecular entity +is_a: CHEBI:33582 ! carbon group molecular entity +relationship: has_part CHEBI:27007 ! tin atom + +[Term] +id: CHEBI:27013 +name: tocopherol +is_a: CHEBI:33234 ! vitamin E +is_a: CHEBI:39437 ! tocol + +[Term] +id: CHEBI:27021 +name: toluate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:27023 +name: toluene-4-sulfonate +is_a: CHEBI:22713 ! arenesulfonate oxoanion + +[Term] +id: CHEBI:27024 +name: toluenes +is_a: CHEBI:22712 ! benzenes + +[Term] +id: CHEBI:27026 +name: toxin +is_a: CHEBI:25212 ! metabolite +is_a: CHEBI:64909 ! poison + +[Term] +id: CHEBI:27027 +name: micronutrient +is_a: CHEBI:33284 ! nutrient + +[Term] +id: CHEBI:27066 +name: (9R,10R)-9,10-dihydrophenanthrene-9,10-diol +is_a: CHEBI:37470 ! trans-9,10-dihydrophenanthrene-9,10-diol + +[Term] +id: CHEBI:27081 +name: transition element atom +is_a: CHEBI:33521 ! metal atom + +[Term] +id: CHEBI:27082 +name: trehalose +is_a: CHEBI:131401 ! hexopyranosyl hexopyranoside + +[Term] +id: CHEBI:27083 +name: trehalose mycolate +is_a: CHEBI:52782 ! O-acyl carbohydrate + +[Term] +id: CHEBI:27084 +name: trehalose phosphate +is_a: CHEBI:23843 ! disaccharide phosphate + +[Term] +id: CHEBI:27086 +name: tributylstannane +is_a: CHEBI:25717 ! organotin compound + +[Term] +id: CHEBI:27092 +name: tricarboxylic acid trianion +is_a: CHEBI:35753 ! tricarboxylic acid anion +is_a: CHEBI:38717 ! carboxylic acid trianion + +[Term] +id: CHEBI:27093 +name: tricarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:27096 +name: trichlorobenzene +is_a: CHEBI:23132 ! chlorobenzenes + +[Term] +id: CHEBI:27097 +name: trichlorocatechol +is_a: CHEBI:23138 ! chlorocatechol +is_a: CHEBI:27096 ! trichlorobenzene + +[Term] +id: CHEBI:2710 +name: androst-5-ene-3beta,17beta-diol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27102 +name: trichlorophenol +is_a: CHEBI:15258 ! trichlorophenols + +[Term] +id: CHEBI:27105 +name: tridecadienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid + +[Term] +id: CHEBI:27114 +name: trihydroxy-5beta-cholanic acid +is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid + +[Term] +id: CHEBI:27115 +name: trihydroxybenzoic acid +is_a: CHEBI:24676 ! hydroxybenzoic acid + +[Term] +id: CHEBI:27116 +name: trihydroxyflavone +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:27118 +name: naphthalenetriol +is_a: CHEBI:24727 ! hydroxynaphthalene + +[Term] +id: CHEBI:27119 +name: trihydroxytoluene +is_a: CHEBI:24751 ! hydroxytoluene + +[Term] +id: CHEBI:27120 +name: triihydroxypyridine +is_a: CHEBI:24745 ! hydroxypyridine + +[Term] +id: CHEBI:27124 +name: trimethoxyflavone +is_a: CHEBI:25241 ! methoxyflavone + +[Term] +id: CHEBI:27134 +name: trimethylxanthine +is_a: CHEBI:25348 ! methylxanthine + +[Term] +id: CHEBI:27135 +name: trinitrotoluene +is_a: CHEBI:25566 ! nitrotoluene + +[Term] +id: CHEBI:27136 +name: triol +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:27137 +name: triose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:27150 +name: trisaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:27153 +name: monoatomic trication +is_a: CHEBI:25430 ! monoatomic polycation +is_a: CHEBI:64712 ! trivalent inorganic cation + +[Term] +id: CHEBI:2716 +name: anethole +is_a: CHEBI:25235 ! monomethoxybenzene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27162 +name: tryptamines +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:27164 +name: tryptophan derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:27171 +name: organic heterobicyclic compound +is_a: CHEBI:33672 ! heterobicyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:27173 +name: typhasterol +is_a: CHEBI:22921 ! brassinosteroid +is_a: CHEBI:35347 ! 3alpha-sterol +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:36866 ! 23-hydroxy steroid +is_a: CHEBI:36883 ! 6-oxo steroid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27175 +name: tyramines +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:64365 ! aralkylamino compound + +[Term] +id: CHEBI:27177 +name: L-tyrosine derivative +is_a: CHEBI:62761 ! tyrosine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative +is_a: CHEBI:84144 ! L-phenylalanine derivative + +[Term] +id: CHEBI:2719 +name: Ile(5)-angiotensin II +is_a: CHEBI:48432 ! angiotensin II +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27191 +name: undecaprenols +is_a: CHEBI:26199 ! polyprenol + +[Term] +id: CHEBI:27193 +name: undecaprenyl phosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:27194 +name: undecaprenyldiphospho-N-acetylmuramoyl peptide +is_a: CHEBI:24396 ! glycopeptide +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:27207 +name: univalent carboacyl group +is_a: CHEBI:37838 ! carboacyl group + +[Term] +id: CHEBI:27208 +name: unsaturated fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:27216 +name: urate(2-) +is_a: CHEBI:25810 ! oxopurine +is_a: CHEBI:46818 ! urate anion + +[Term] +id: CHEBI:27226 +name: uric acid +is_a: CHEBI:25810 ! oxopurine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27232 +name: uridine 5'-phosphate +is_a: CHEBI:27237 ! uridine phosphate + +[Term] +id: CHEBI:27237 +name: uridine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:27242 +name: uridines +is_a: CHEBI:39446 ! pyrimidine ribonucleosides + +[Term] +id: CHEBI:27247 +name: urocanate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27248 +name: urocanic acid +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:23240 ! chromophore +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27252 +name: uronic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:27258 +name: uroporphyrinogen +is_a: CHEBI:36321 ! porphyrinogens +is_a: CHEBI:51705 ! octacarboxylic acid + +[Term] +id: CHEBI:27266 +name: valine +is_a: CHEBI:22918 ! branched-chain amino acid +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:30353 ! isopropyl group +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:27267 +name: valine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:27273 +name: vanadic acid +is_a: CHEBI:35166 ! vanadium coordination entity +is_a: CHEBI:36265 ! transition element oxoacid + +[Term] +id: CHEBI:27275 +name: vanadium molecular entity +is_a: CHEBI:33746 ! vanadium group molecular entity +relationship: has_part CHEBI:27698 ! vanadium atom + +[Term] +id: CHEBI:27283 +name: very long-chain fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:27288 +name: vinca alkaloid +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid + +[Term] +id: CHEBI:27295 +name: violaxanthin +is_a: CHEBI:35307 ! epoxycarotenol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27300 +name: vitamin D +is_a: CHEBI:36853 ! hydroxy seco-steroid +relationship: has_role CHEBI:24020 ! fat-soluble vitamin + +[Term] +id: CHEBI:27306 +name: vitamin B6 +is_a: CHEBI:26421 ! pyridines +relationship: has_role CHEBI:75769 ! B vitamin + +[Term] +id: CHEBI:27311 +name: volatile oil component +is_a: CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:27314 +name: water-soluble vitamin +is_a: CHEBI:33229 ! vitamin + +[Term] +id: CHEBI:27323 +name: xanthommatins +is_a: CHEBI:25690 ! ommatin +is_a: CHEBI:39252 ! pyridophenoxazine + +[Term] +id: CHEBI:27325 +name: xanthophyll +is_a: CHEBI:23044 ! carotenoid + +[Term] +id: CHEBI:27329 +name: xanthosine phosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:27338 +name: xylene +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:38975 ! methylbenzene + +[Term] +id: CHEBI:27341 +name: xylitol phosphate +is_a: CHEBI:25898 ! pentitol phosphate + +[Term] +id: CHEBI:27343 +name: xylogalacturonan +is_a: CHEBI:24174 ! galacturonan + +[Term] +id: CHEBI:27345 +name: xylonate +is_a: CHEBI:27346 ! xylonates + +[Term] +id: CHEBI:27346 +name: xylonates +is_a: CHEBI:33761 ! pentonate + +[Term] +id: CHEBI:27347 +name: xylonolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:27349 +name: xylose phosphate +is_a: CHEBI:25900 ! aldopentose phosphate + +[Term] +id: CHEBI:27350 +name: xyloside +is_a: CHEBI:35312 ! pentoside + +[Term] +id: CHEBI:27351 +name: xylosylgalactoside +is_a: CHEBI:19946 ! xylosylglycoside + +[Term] +id: CHEBI:27353 +name: xylulose +is_a: CHEBI:24977 ! ketopentose + +[Term] +id: CHEBI:27354 +name: xylulose 5-phosphate +is_a: CHEBI:27355 ! xylulose phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:27355 +name: xylulose phosphate +is_a: CHEBI:24976 ! ketopentose phosphate +is_a: CHEBI:33957 ! xylulose derivative + +[Term] +id: CHEBI:27362 +name: zeta-carotene +is_a: CHEBI:35162 ! acyclic carotene + +[Term] +id: CHEBI:27363 +name: zinc atom +is_a: CHEBI:33340 ! zinc group element atom +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:27364 +name: zinc molecular entity +is_a: CHEBI:33673 ! zinc group molecular entity +relationship: has_part CHEBI:27363 ! zinc atom + +[Term] +id: CHEBI:27365 +name: zinc ion +is_a: CHEBI:24867 ! monoatomic ion +is_a: CHEBI:37253 ! elemental zinc + +[Term] +id: CHEBI:27369 +name: zwitterion +is_a: CHEBI:51151 ! dipolar compound + +[Term] +id: CHEBI:27372 +name: 1D-chiro-inositol +is_a: CHEBI:23098 ! chiro-inositol + +[Term] +id: CHEBI:27374 +name: 1L-chiro-inositol +is_a: CHEBI:23098 ! chiro-inositol + +[Term] +id: CHEBI:27376 +name: methanesulfonic acid +is_a: CHEBI:47901 ! alkanesulfonic acid +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27378 +name: (2S,3R)-aldopyranose +is_a: CHEBI:140379 ! an aldopyranose +is_a: CHEBI:15693 ! aldose + +[Term] +id: CHEBI:27379 +name: 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:23197 ! cholestanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27380 +name: (1->6)-beta-D-glucan +is_a: CHEBI:28793 ! beta-D-glucan +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:27381 +name: 2,2',3-trihydroxydiphenyl ether +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27384 +name: 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid +is_a: CHEBI:20432 ! imidazolone +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27385 +name: tetrachloromethane +is_a: CHEBI:23148 ! chloromethanes +is_a: CHEBI:39226 ! chlorocarbon +relationship: has_role CHEBI:50908 ! hepatotoxic agent +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:27386 +name: cinnamic acid +is_a: CHEBI:23252 ! cinnamic acids +is_a: CHEBI:26799 ! styrenes +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27389 +name: 3-aminoisobutyric acid +is_a: CHEBI:33706 ! beta-amino acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:27390 +name: omega-aminoaldehyde +is_a: CHEBI:22492 ! amino aldehyde +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:27391 +name: 1-pyrroline-3-hydroxy-5-carboxylic acid +is_a: CHEBI:19098 ! 1-pyrrolinecarboxylic acid + +[Term] +id: CHEBI:27392 +name: UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:27394 +name: D-erythro-3-methylmalic acid +is_a: CHEBI:23948 ! erythro-3-methylmalic acid + +[Term] +id: CHEBI:27398 +name: imidazole-4-acetaldehyde +is_a: CHEBI:24779 ! imidazolylacetaldehyde +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27402 +name: (S)-3-hydroxypalmitoyl-CoA +is_a: CHEBI:137639 ! long-chain (3S)-hydroxy fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27404 +name: 5,6-dihydroxyindole +is_a: CHEBI:23781 ! dihydroxyindole +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27405 +name: streptidine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:61689 ! amino cyclitol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:27406 +name: indole-5,6-quinone +is_a: CHEBI:24793 ! indoledione +is_a: CHEBI:25622 ! orthoquinones +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27417 +name: p-xylene +is_a: CHEBI:27338 ! xylene + +[Term] +id: CHEBI:27418 +name: 1,4-naphthoquinone +is_a: CHEBI:132142 ! 1,4-naphthoquinones + +[Term] +id: CHEBI:27422 +name: (KDO)2-(lauroyl)-lipid IVA +is_a: CHEBI:25051 ! lipid As +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27425 +name: N-acetyl-alpha-D-glucosaminide +is_a: CHEBI:28401 ! N-acetyl-D-glucosaminide + +[Term] +id: CHEBI:27427 +name: 5'-dehydroinosine +is_a: CHEBI:24844 ! inosines + +[Term] +id: CHEBI:27432 +name: alpha-linolenic acid +is_a: CHEBI:25048 ! linolenic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27439 +name: (KDO)-lipid IVA +is_a: CHEBI:25051 ! lipid As +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27442 +name: beta-D-fucose +is_a: CHEBI:2179 ! D-fucopyranose + +[Term] +id: CHEBI:27444 +name: but-3-yn-1-ol +is_a: CHEBI:22967 ! butyn-1-ols +is_a: CHEBI:73477 ! terminal acetylenic compound + +[Term] +id: CHEBI:27445 +name: maltohexaose +is_a: CHEBI:62007 ! maltohexaose hexasaccharide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27450 +name: 4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid +is_a: CHEBI:35333 ! 4-(4-deoxy-D-gluc-4-enosyluronic acid)-D-galacturonic acid + +[Term] +id: CHEBI:27452 +name: styrene +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:26799 ! styrenes +is_a: CHEBI:33645 ! acyclic olefin +is_a: CHEBI:51324 ! vinylarene +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27453 +name: 3-keto-beta-D-galactose +is_a: CHEBI:24973 ! ketohexose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27457 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)5-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide + +[Term] +id: CHEBI:27458 +name: 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:23197 ! cholestanoyl-CoA +relationship: has_role CHEBI:48887 ! bile acid metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27466 +name: (S)-3-hydroxytetradecanoyl-CoA +is_a: CHEBI:137639 ! long-chain (3S)-hydroxy fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27468 +name: 5,6-dihydrothymine +is_a: CHEBI:38337 ! pyrimidone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27469 +name: 2-dehydro-D-gluconic acid +is_a: CHEBI:66938 ! keto-D-gluconic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:27470 +name: folic acid +is_a: CHEBI:37445 ! folic acids +is_a: CHEBI:51569 ! N-acyl-amino acid +relationship: has_role CHEBI:33284 ! nutrient +relationship: has_role CHEBI:75769 ! B vitamin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27471 +name: glycodeoxycholic acid +is_a: CHEBI:36255 ! bile acid glycine conjugate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27475 +name: cyanidin 3-O-beta-D-galactoside +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:27476 +name: beta-D-ribopyranose +is_a: CHEBI:47006 ! D-ribopyranose + +[Term] +id: CHEBI:27477 +name: D-valine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:27266 ! valine + +[Term] +id: CHEBI:27479 +name: 2'-hydroxydaidzein +is_a: CHEBI:38755 ! hydroxyisoflavone +relationship: has_role CHEBI:67079 ! anti-inflammatory agent + +[Term] +id: CHEBI:27480 +name: phenylacetylglycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27482 +name: (R)-coclaurine +is_a: CHEBI:23347 ! coclaurine + +[Term] +id: CHEBI:27485 +name: prostaglandin J2 +is_a: CHEBI:26346 ! prostaglandins J +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27487 +name: 3-(imidazol-5-yl)lactic acid +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27491 +name: leukotriene F4 +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27493 +name: juvenile hormone III +is_a: CHEBI:24943 ! juvenile hormone +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:4986 ! fatty acid methyl ester +is_a: CHEBI:51702 ! enoate ester + +[Term] +id: CHEBI:27499 +name: N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide +is_a: CHEBI:36546 ! sialomonoglycosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27503 +name: aldehydo-D-mannosamine +is_a: CHEBI:62324 ! D-mannosamine + +[Term] +id: CHEBI:27504 +name: mitomycin C +is_a: CHEBI:25357 ! mitomycin +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:27505 +name: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA +relationship: has_role CHEBI:48887 ! bile acid metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27510 +name: umbelliferone +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:39442 ! fluorescent probe +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:27512 +name: (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:27513 +name: precorrin-6X +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:27514 +name: genistein 7-O-beta-D-glucoside +is_a: CHEBI:140301 ! 7-hydroxyisoflavones 7-O-beta-D-glucoside + +[Term] +id: CHEBI:27515 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27517 +name: (1->2)-beta-D-glucan +is_a: CHEBI:28793 ! beta-D-glucan + +[Term] +id: CHEBI:27518 +name: acetylene +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:22339 ! alkyne +is_a: CHEBI:73477 ! terminal acetylenic compound + +[Term] +id: CHEBI:27522 +name: rutinose +is_a: CHEBI:24405 ! glycosylglucose + +[Term] +id: CHEBI:27530 +name: 4-hydroxy-2-oxohexanoic acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:27532 +name: L-cysteine thioether +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:47910 ! S-substituted L-cysteine + +[Term] +id: CHEBI:27533 +name: beta-zeacarotene +is_a: CHEBI:139120 ! carotenoid beta-end group +is_a: CHEBI:35163 ! cyclic carotene + +[Term] +id: CHEBI:27535 +name: alpha-D-mannoside +is_a: CHEBI:25169 ! mannoside + +[Term] +id: CHEBI:27537 +name: trans-oct-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27539 +name: isatin +is_a: CHEBI:24793 ! indoledione +relationship: has_role CHEBI:38623 ! EC 1.4.3.4 (monoamine oxidase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27540 +name: hexanoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27541 +name: 3',5'-cyclic IMP +is_a: CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate +is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide +relationship: has_role CHEBI:75768 ! mammalian metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:27543 +name: 9H-carbazole +is_a: CHEBI:3391 ! carbazole + +[Term] +id: CHEBI:27544 +name: 3,5-dibromo-4-hydroxybenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate + +[Term] +id: CHEBI:27545 +name: 2,5-dichlorohydroquinone +is_a: CHEBI:23700 ! dichlorohydroquinone +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:27547 +name: zeaxanthin +is_a: CHEBI:23045 ! carotenol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:27551 +name: 5-methylcytosine +is_a: CHEBI:134207 ! methylcytosine +is_a: CHEBI:39447 ! pyrimidines +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27555 +name: prostaglandin C2 +is_a: CHEBI:26336 ! prostaglandins C +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27560 +name: boron atom +is_a: CHEBI:137980 ! metalloid atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33317 ! boron group element atom +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:27561 +name: oxirane +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:38104 ! oxacycle +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27562 +name: 20-hydroxy-20-oxoleukotriene B4 +is_a: CHEBI:24669 ! hydroxy carboxylic acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:27563 +name: arsenic atom +is_a: CHEBI:137980 ! metalloid atom +is_a: CHEBI:33300 ! pnictogen +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:27565 +name: 4-aminosalicylic acid +is_a: CHEBI:22495 ! aminobenzoic acid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:33231 ! antitubercular agent + +[Term] +id: CHEBI:27568 +name: selenium atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33303 ! chalcogen +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:27569 +name: arabinogalactan +is_a: CHEBI:37165 ! galactan + +[Term] +id: CHEBI:27570 +name: histidine +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:33856 ! aromatic amino acid +relationship: has_part CHEBI:50338 ! 1H-imidazol-4-ylmethyl group +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:27571 +name: 3'-ketolactose +is_a: CHEBI:24957 ! keto-disaccharide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27573 +name: silicon atom +is_a: CHEBI:137980 ! metalloid atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33306 ! carbon group element atom + +[Term] +id: CHEBI:27574 +name: N(2)-succinyl-L-ornithine +is_a: CHEBI:21815 ! N2-acyl-L-ornithine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27576 +name: 19-hydroxyandrost-4-ene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36842 ! 19-hydroxy steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27582 +name: 16alpha-hydroxyandrost-4-ene-3,17-dione +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27584 +name: aldosterone +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:25354 ! mineralocorticoid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:36887 ! 18-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:64600 ! C21-steroid hormone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27585 +name: selenomethionine +is_a: CHEBI:26629 ! selenoamino acid +is_a: CHEBI:26640 ! selenomethionines +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27586 +name: beta-L-rhamnopyranose +is_a: CHEBI:62346 ! L-rhamnopyranose + +[Term] +id: CHEBI:27590 +name: 7-hydroxyflavanone 7-O-beta-D-glucoside +is_a: CHEBI:13637 ! flavanone 7-O-beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:27592 +name: ectoine +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35359 ! carboxamidine +is_a: CHEBI:78715 ! 1,4,5,6-tetrahydropyrimidines +relationship: has_role CHEBI:25728 ! osmolyte + +[Term] +id: CHEBI:27594 +name: carbon atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33306 ! carbon group element atom +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:27595 +name: 11-epi-prostaglandin F2alpha +is_a: CHEBI:26340 ! prostaglandins F +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27601 +name: pteridine +is_a: CHEBI:26373 ! pteridines +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +is_a: CHEBI:50893 ! azaarene +is_a: CHEBI:52362 ! ortho-fused heteroarene + +[Term] +id: CHEBI:27603 +name: 1(F)-alpha-D-galactosylraffinose +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:27605 +name: D-psicose +is_a: CHEBI:33951 ! psicose + +[Term] +id: CHEBI:27609 +name: coproporphyrin III +is_a: CHEBI:23388 ! coproporphyrin +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27612 +name: hydantoin +is_a: CHEBI:24628 ! imidazolidine-2,4-dione + +[Term] +id: CHEBI:27613 +name: amygdalin +is_a: CHEBI:23436 ! cyanogenic glycoside +is_a: CHEBI:24215 ! gentiobioside +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27616 +name: psoralen +is_a: CHEBI:26369 ! psoralens +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27617 +name: monensin A +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26179 ! polyether antibiotic +is_a: CHEBI:59780 ! cyclic hemiketal +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:24869 ! ionophore +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:35818 ! coccidiostat + +[Term] +id: CHEBI:27618 +name: chalcone +is_a: CHEBI:23086 ! chalcones +is_a: CHEBI:26799 ! styrenes +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27624 +name: prostaglandin B1 +is_a: CHEBI:26335 ! prostaglandins B +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27625 +name: alpha-D-glucosamine 1-phosphate +is_a: CHEBI:24269 ! glucosamine phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27626 +name: 3,4-dehydrothiomorpholine-3-carboxylic acid +is_a: CHEBI:36223 ! thiomorpholinemonocarboxylic acid +is_a: CHEBI:46976 ! 1,4-thiazine + +[Term] +id: CHEBI:27628 +name: 4-isopropylbenzyl alcohol +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:25186 ! p-menthane monoterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:71692 ! insect repellent +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27630 +name: precorrin-5 +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:27632 +name: acetophenone +is_a: CHEBI:22187 ! acetophenones +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:27636 +name: L-glycol +is_a: CHEBI:13643 ! glycol + +[Term] +id: CHEBI:27638 +name: cobalt atom +is_a: CHEBI:33358 ! cobalt group element atom +is_a: CHEBI:88184 ! metal allergen +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:27639 +name: (E)-2-benzylidenesuccinyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:27641 +name: cycloheximide +is_a: CHEBI:35356 ! dicarboximide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:48589 ! piperidones +is_a: CHEBI:49318 ! piperidine antibiotic +is_a: CHEBI:87114 ! antibiotic fungicide +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:27642 +name: methyl tert-butyl ether +is_a: CHEBI:25698 ! ether +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:62803 ! fuel additive + +[Term] +id: CHEBI:27644 +name: chlortetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:26895 ! tetracyclines +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:22986 ! calcium ionophore +relationship: has_role CHEBI:35820 ! antiprotozoal drug +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:39442 ! fluorescent probe + +[Term] +id: CHEBI:27645 +name: dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:27647 +name: prostaglandin G2 +is_a: CHEBI:26343 ! prostaglandins G +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27648 +name: 3-oxohexanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27652 +name: 2',3'-cyclic CMP +is_a: CHEBI:19218 ! 2',3'-cyclic pyrimidine nucleotide +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27656 +name: camptothecin +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:26509 ! quinoline alkaloid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:48626 ! pyranoindolizinoquinoline +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50276 ! EC 5.99.1.2 (DNA topoisomerase) inhibitor +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27657 +name: N-succinyl-L-glutamic 5-semialdehyde +is_a: CHEBI:24313 ! glutamic semialdehyde +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27659 +name: 2-oxo aldehyde +is_a: CHEBI:24960 ! ketoaldehyde + +[Term] +id: CHEBI:27660 +name: pyrrole-2-carboxylate +is_a: CHEBI:26452 ! pyrrolecarboxylate + +[Term] +id: CHEBI:27666 +name: actinomycin D +is_a: CHEBI:15369 ! actinomycin +relationship: has_role CHEBI:25435 ! mutagen + +[Term] +id: CHEBI:27667 +name: beta-D-galactose +is_a: CHEBI:4139 ! D-galactopyranose +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27668 +name: (S)-3-hydroxylauroyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27670 +name: 1,2-bis(3,4-dimethoxyphenyl)propane-1,3-diol +is_a: CHEBI:26287 ! propane-1,3-diols + +[Term] +id: CHEBI:27675 +name: chlorohydroquinone +is_a: CHEBI:23147 ! chlorohydroquinones +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:27676 +name: L-histidinal +is_a: CHEBI:22492 ! amino aldehyde +is_a: CHEBI:24780 ! imidazoles + +[Term] +id: CHEBI:27678 +name: dTDP-3-dehydro-6-deoxy-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:27680 +name: galactomannan +is_a: CHEBI:61298 ! D-glucose- and/or D-galactose-substituted mannan + +[Term] +id: CHEBI:27681 +name: (S)-2-acetyl-2-hydroxybutanoic acid +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:27684 +name: phenylmercury acetate +is_a: CHEBI:22648 ! arylmercury compound +is_a: CHEBI:22712 ! benzenes + +[Term] +id: CHEBI:27688 +name: 5-hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone +is_a: CHEBI:35795 ! polyprenylbenzoquinone +is_a: CHEBI:67273 ! monohydroxy-1,4-benzoquinones + +[Term] +id: CHEBI:27689 +name: decanoate +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:78118 ! fatty acid anion 10:0 +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27691 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27692 +name: lipid II +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27693 +name: sitosterol +is_a: CHEBI:131703 ! stigmastane sterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35821 ! anticholesteremic drug +relationship: has_role CHEBI:52303 ! sterol methyltransferase inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27696 +name: prostaglandin D1 +is_a: CHEBI:26337 ! prostaglandins D +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27698 +name: vanadium atom +is_a: CHEBI:33347 ! vanadium group element atom +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:27700 +name: trans-3-enoyl-CoA +is_a: CHEBI:20012 ! 3-enoyl-CoA + +[Term] +id: CHEBI:27701 +name: oxytetracycline +is_a: CHEBI:26895 ! tetracyclines +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:27702 +name: (R)-norlaudanosoline +is_a: CHEBI:28770 ! norlaudanosoline + +[Term] +id: CHEBI:27705 +name: delta-carotene +is_a: CHEBI:139115 ! carotenoid epsilon-end group +is_a: CHEBI:35163 ! cyclic carotene +relationship: has_part CHEBI:139114 ! carotenoid psi-end group + +[Term] +id: CHEBI:27707 +name: beta-D-Galp-(1->3)-D-GlcpNAc +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:22485 ! glucosamine oligosaccharide +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:27708 +name: diethyl hydrogen phosphate +is_a: CHEBI:16648 ! dialkyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:27711 +name: precorrin-3B +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:27713 +name: (5S)-5-amino-3-oxohexanoic acid +is_a: CHEBI:35931 ! delta-amino acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:27714 +name: 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one +is_a: CHEBI:39306 ! pyrimidodiazepine +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:27715 +name: 3-chlorocatechol +is_a: CHEBI:23138 ! chlorocatechol +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:27717 +name: gibberellin A1 +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27721 +name: trans-tetradec-2-enoyl-CoA +is_a: CHEBI:26900 ! tetradecenoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27726 +name: 6-chloro-1,3,5-triazine-2,4-diamine +is_a: CHEBI:38168 ! chloro-1,3,5-triazine +is_a: CHEBI:38170 ! diamino-1,3,5-triazine + +[Term] +id: CHEBI:27727 +name: androstane-3,17-diol +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:36838 ! 17-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid + +[Term] +id: CHEBI:27730 +name: D-isoleucine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:24898 ! isoleucine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:27731 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:36508 ! glycotriaosylceramide +is_a: CHEBI:88278 ! N-acetylhexosaminyl-dihexosylceramide +is_a: CHEBI:90085 ! N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Cer +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27732 +name: caffeine +is_a: CHEBI:26385 ! purine alkaloid +is_a: CHEBI:27134 ! trimethylxanthine +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:35337 ! central nervous system stimulant +relationship: has_role CHEBI:35471 ! psychotropic drug +relationship: has_role CHEBI:35498 ! diuretic +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:38809 ! ryanodine receptor modulator +relationship: has_role CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor +relationship: has_role CHEBI:50925 ! EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor +relationship: has_role CHEBI:53121 ! adenosine A2A receptor antagonist +relationship: has_role CHEBI:60809 ! adjuvant +relationship: has_role CHEBI:64047 ! food additive +relationship: has_role CHEBI:67114 ! ryanodine receptor agonist +relationship: has_role CHEBI:71232 ! adenosine receptor antagonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:27735 +name: 5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide +is_a: CHEBI:37290 ! 1-(phosphoribosyl)imidazolecarboxamide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27740 +name: gamma-carotene +is_a: CHEBI:139120 ! carotenoid beta-end group +is_a: CHEBI:35163 ! cyclic carotene +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:27741 +name: 3'-hydroxyflavonoid +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:27742 +name: gibberellin A20 +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27744 +name: glyphosate +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:44976 ! phosphonic acid +relationship: has_role CHEBI:20569 ! EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:33286 ! agrochemical + +[Term] +id: CHEBI:27748 +name: D-ribosylnicotinic acid +is_a: CHEBI:47896 ! pyridine nucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27750 +name: ethyl acetate +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77706 ! EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor + +[Term] +id: CHEBI:27754 +name: methacrylyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27757 +name: 4-chlorobiphenyl +is_a: CHEBI:36717 ! monochlorobiphenyl + +[Term] +id: CHEBI:27760 +name: L-selenocystathionine +is_a: CHEBI:26630 ! selenocystathionine + +[Term] +id: CHEBI:27761 +name: (S)-prunasin +is_a: CHEBI:25150 ! prunasin + +[Term] +id: CHEBI:27762 +name: 3-hydroxypropanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27765 +name: (S)-3-hydroxy-3-methyl-2-oxopentanoate +is_a: CHEBI:53338 ! 3-hydroxy-3-methyl-2-oxopentanoate + +[Term] +id: CHEBI:27767 +name: 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone +is_a: CHEBI:23798 ! dimethoxyflavone +is_a: CHEBI:38684 ! tetrahydroxyflavone + +[Term] +id: CHEBI:27770 +name: nonanoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:27771 +name: 16alpha-hydroxydehydroepiandrosterone +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27772 +name: 4-chlorocatechol +is_a: CHEBI:23138 ! chlorocatechol +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:27773 +name: cis-3-enoyl-CoA +is_a: CHEBI:20012 ! 3-enoyl-CoA + +[Term] +id: CHEBI:27775 +name: P(1),P(3)-bis(5'-adenosyl) triphosphate +is_a: CHEBI:63739 ! diadenosyl triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27780 +name: detergent +is_a: CHEBI:33232 ! application +is_a: CHEBI:35195 ! surfactant + +[Term] +id: CHEBI:27781 +name: myristoleic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36004 ! tetradecenoic acid +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor + +[Term] +id: CHEBI:27784 +name: gentamycin C1a +is_a: CHEBI:28417 ! gentamycin C + +[Term] +id: CHEBI:27786 +name: hydroxocobalamin +is_a: CHEBI:23334 ! cobalamins + +[Term] +id: CHEBI:27787 +name: 15-cis-phytoene +is_a: CHEBI:26119 ! phytoene + +[Term] +id: CHEBI:27789 +name: 1,2-dichloroethane +is_a: CHEBI:36016 ! chloroethanes +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:48355 ! non-polar solvent + +[Term] +id: CHEBI:27798 +name: nitrobenzene +is_a: CHEBI:48109 ! nitrobenzenes +is_a: CHEBI:51132 ! nitroarene + +[Term] +id: CHEBI:27802 +name: 2,3-dihydroxybenzenesulfonic acid +is_a: CHEBI:26826 ! dihydroxybenzenesulfonic acid + +[Term] +id: CHEBI:27803 +name: cis-2-enoyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:27804 +name: cyclohexanecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:27809 +name: L-4-hydroxyglutamic semialdehyde +is_a: CHEBI:24313 ! glutamic semialdehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27810 +name: resorcinol +is_a: CHEBI:17701 ! benzenediol +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:139492 ! sensitiser +relationship: has_role CHEBI:91025 ! erythropoietin inhibitor + +[Term] +id: CHEBI:27811 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27812 +name: Se-methyl-L-selenocysteine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84209 ! L-selenocysteine derivative +is_a: CHEBI:9068 ! Se-methylselenocysteine +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:27814 +name: 12-dehydro-leukotriene B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:27817 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide + +[Term] +id: CHEBI:27819 +name: clavaldehyde +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:35627 ! beta-lactam +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:27820 +name: prostaglandin A2 +is_a: CHEBI:26334 ! prostaglandins A +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27821 +name: (S)-methylmalonaldehydic acid +is_a: CHEBI:16256 ! 2-methyl-3-oxopropanoic acid +is_a: CHEBI:26643 ! aldehydic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27822 +name: 2-aminobenzimidazole +is_a: CHEBI:22715 ! benzimidazoles +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite + +[Term] +id: CHEBI:27823 +name: (5-hydroxyindol-3-yl)acetic acid +is_a: CHEBI:24803 ! indole-3-acetic acids +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27825 +name: 3',5-dihydroxy-3,4',7-trimethoxyflavone +is_a: CHEBI:27124 ! trimethoxyflavone +is_a: CHEBI:38686 ! dihydroxyflavone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27826 +name: (S)-4-hydroxymandelonitrile beta-D-glucoside +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:23436 ! cyanogenic glycoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:27827 +name: paraoxon +is_a: CHEBI:25708 ! organophosphate insecticide +is_a: CHEBI:37558 ! aryl dialkyl phosphate +relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27836 +name: dodecanal +is_a: CHEBI:17176 ! long-chain fatty aldehyde +is_a: CHEBI:84587 ! 2,3-saturated fatty aldehyde +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27843 +name: cyanidin cation +is_a: CHEBI:140277 ! 5-hydroxyanthocyanidin +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:63726 ! neuroprotective agent + +[Term] +id: CHEBI:27844 +name: 2',3'-cyclic AMP +is_a: CHEBI:19217 ! 2',3'-cyclic purine nucleotide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27847 +name: 3-iodo-L-tyrosine +is_a: CHEBI:25400 ! monoiodotyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:63932 ! EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27848 +name: alpha-L-rhamnoside +is_a: CHEBI:26547 ! rhamnoside + +[Term] +id: CHEBI:27849 +name: toluene-4-sulfonic acid +is_a: CHEBI:27024 ! toluenes +is_a: CHEBI:33555 ! arenesulfonic acid + +[Term] +id: CHEBI:27852 +name: 3,4-dihydroxymandelaldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27855 +name: L-erythro-3-methylmalyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:27856 +name: acetamide +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:83628 ! N-acylammonia + +[Term] +id: CHEBI:27857 +name: (1->4)-beta-D-mannan +is_a: CHEBI:28808 ! mannan +is_a: CHEBI:61266 ! hemicellulose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27858 +name: precorrin-6Y +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:27859 +name: S-methyl-5-thio-alpha-D-ribose 1-phosphate +is_a: CHEBI:26975 ! thioribose phosphate +is_a: CHEBI:35159 ! ribose monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27865 +name: fucosterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:62868 ! hepatoprotective agent + +[Term] +id: CHEBI:27867 +name: antheraxanthin +is_a: CHEBI:35307 ! epoxycarotenol +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27868 +name: 3-oxolauroyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27869 +name: chloroacetic acid +is_a: CHEBI:16277 ! haloacetic acid +is_a: CHEBI:36685 ! chlorocarboxylic acid +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:24527 ! herbicide + +[Term] +id: CHEBI:27871 +name: chloroacetaldehyde +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:27877 +name: N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine +is_a: CHEBI:17149 ! N-acetyl-beta-D-glycosaminyl glycopeptide + +[Term] +id: CHEBI:27879 +name: 6-methylpretetramide +is_a: CHEBI:25333 ! pretetramide +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:27881 +name: resveratrol +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:36027 ! stilbenol +relationship: has_role CHEBI:140922 ! glioma-associated oncogene inhibitor +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:26115 ! phytoalexin + +[Term] +id: CHEBI:27884 +name: D-fructofuranose 2-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate + +[Term] +id: CHEBI:27887 +name: 6-phospho-beta-D-galactoside +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:37549 ! glycoside phosphate +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:27888 +name: chlorophyll b +is_a: CHEBI:28966 ! chlorophyll + +[Term] +id: CHEBI:27891 +name: S-sulfo-L-cysteine +is_a: CHEBI:37996 ! organic thiosulfate +is_a: CHEBI:47910 ! S-substituted L-cysteine +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27895 +name: 2-chloro-cis,cis-muconic acid +is_a: CHEBI:38434 ! 2-chloromuconic acid + +[Term] +id: CHEBI:27897 +name: tryptophan +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:33856 ! aromatic amino acid +is_a: CHEBI:38631 ! aminoalkylindole +relationship: has_part CHEBI:50337 ! 1H-indol-3-ylmethyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:27898 +name: cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) +is_a: CHEBI:27351 ! xylosylgalactoside +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:27899 +name: cisplatin +is_a: CHEBI:51214 ! diamminedichloroplatinum +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:50684 ! cross-linking reagent +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:61015 ! nephrotoxin + +[Term] +id: CHEBI:27902 +name: tetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35820 ! antiprotozoal drug +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27903 +name: (2,4,5-trichlorophenoxy)acetic acid +is_a: CHEBI:23152 ! chlorophenoxyacetic acid +is_a: CHEBI:27096 ! trichlorobenzene +relationship: has_role CHEBI:23582 ! defoliant +relationship: has_role CHEBI:26841 ! synthetic auxin + +[Term] +id: CHEBI:27904 +name: D-erythrose +is_a: CHEBI:33946 ! erythrose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27906 +name: ubiquinone-0 +is_a: CHEBI:16389 ! ubiquinones +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27907 +name: alpha-L-rhamnopyranose +is_a: CHEBI:62346 ! L-rhamnopyranose +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:27910 +name: 7-dehydrodesmosterol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27911 +name: N(8)-acetylspermidine +is_a: CHEBI:22204 ! acetylspermidine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27913 +name: L-erythrulose +is_a: CHEBI:23958 ! erythrulose +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27914 +name: hydrogenobyrinic acid a,c-diamide +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:27915 +name: melamine +is_a: CHEBI:38175 ! triamino-1,3,5-triazine +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:27922 +name: sorbose +is_a: CHEBI:24973 ! ketohexose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27926 +name: beta-D-xyloside +is_a: CHEBI:27350 ! xyloside + +[Term] +id: CHEBI:27928 +name: parathion +is_a: CHEBI:25715 ! organothiophosphate insecticide +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:37512 ! organic thiophosphate +relationship: has_role CHEBI:22153 ! acaricide +relationship: has_role CHEBI:33286 ! agrochemical +relationship: has_role CHEBI:33289 ! avicide +relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor +relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27931 +name: alpha-maltotriose +is_a: CHEBI:61991 ! maltotriose trisaccharide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27933 +name: beta-lactam antibiotic +is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic +is_a: CHEBI:35627 ! beta-lactam + +[Term] +id: CHEBI:27937 +name: cob(II)yrinic acid a,c diamide +is_a: CHEBI:48033 ! cobyrinic acid a,c diamide + +[Term] +id: CHEBI:27938 +name: beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36507 ! D-galactosyl-N-acetyl-D-glucosaminyl-D-galactosyl-D-glucosylceramide +is_a: CHEBI:88069 ! beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Cer +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27941 +name: pullulan +is_a: CHEBI:26384 ! pullulans +is_a: CHEBI:72813 ! exopolysaccharide + +[Term] +id: CHEBI:27947 +name: D-histidine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:27570 ! histidine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:27948 +name: dTDP-alpha-D-desosamine +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:27949 +name: (E)-sinapaldehyde +is_a: CHEBI:23245 ! cinnamaldehydes +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:51681 ! dimethoxybenzene +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27951 +name: (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +is_a: CHEBI:36948 ! oxoalkyl phosphate +is_a: CHEBI:36949 ! hydroxyalkyl phosphate +is_a: CHEBI:36952 ! carboxyalkyl phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27955 +name: streptamine +is_a: CHEBI:61689 ! amino cyclitol + +[Term] +id: CHEBI:27956 +name: L-dehydroascorbic acid +is_a: CHEBI:17242 ! dehydroascorbic acid +relationship: has_role CHEBI:21241 ! vitamin C +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27957 +name: hydroxyacetone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26292 ! propanones +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27958 +name: cocaine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36054 ! benzoate ester +is_a: CHEBI:37332 ! tropane alkaloid +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:35337 ! central nervous system stimulant +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:36333 ! local anaesthetic +relationship: has_role CHEBI:38633 ! sodium channel blocker +relationship: has_role CHEBI:50514 ! vasoconstrictor agent +relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor +relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:27961 +name: 1,8-cineole +is_a: CHEBI:23243 ! cineole +relationship: has_role CHEBI:35617 ! flavouring agent + +[Term] +id: CHEBI:27962 +name: pent-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15469 ! alk-2-enoyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA + +[Term] +id: CHEBI:27963 +name: (Kdo)2-lipid A (E. coli) +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:27964 +name: 5-methyldeoxycytidine 5'-(trihydrogen diphosphate) +is_a: CHEBI:37037 ! pyrimidine 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate + +[Term] +id: CHEBI:27967 +name: 11beta-hydroxyandrost-4-ene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27969 +name: mesaconyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27973 +name: D-arabino-hex-3-ulose 6-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate + +[Term] +id: CHEBI:27974 +name: estriol +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27975 +name: L-glyceraldehyde +is_a: CHEBI:5445 ! glyceraldehyde + +[Term] +id: CHEBI:27976 +name: prop-2-ynal +is_a: CHEBI:51720 ! ynal +is_a: CHEBI:73477 ! terminal acetylenic compound +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:27977 +name: erythronolide B +is_a: CHEBI:23955 ! erythronolide + +[Term] +id: CHEBI:27978 +name: 3,4-dihydroxyphenylacetaldehyde +is_a: CHEBI:25973 ! phenylacetaldehydes +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27979 +name: all-cis-icosa-8,11,14-trienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:27986 +name: nitrosobenzene +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:35800 ! nitroso compound +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:27989 +name: cis-dodec-3-enoyl-CoA +is_a: CHEBI:23869 ! dodecenoyl-CoA + +[Term] +id: CHEBI:27991 +name: benzonitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:22712 ! benzenes + +[Term] +id: CHEBI:27993 +name: 1,2-di-O-sinapoyl-beta-D-glucose +is_a: CHEBI:52782 ! O-acyl carbohydrate + +[Term] +id: CHEBI:27994 +name: luteolin 7-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:27995 +name: 3-methylbenzyl alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:25281 ! methylbenzyl alcohol + +[Term] +id: CHEBI:27996 +name: (R)-4-hydroxymandelate +is_a: CHEBI:32804 ! 4-hydroxymandelate + +[Term] +id: CHEBI:27997 +name: elaidic acid +is_a: CHEBI:36021 ! octadec-9-enoic acid +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:27998 +name: tungsten +is_a: CHEBI:33350 ! chromium group element atom +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:28 +name: (R)-linalool +is_a: CHEBI:17580 ! linalool + +[Term] +id: CHEBI:28000 +name: N-acetyl-D-hexosaminide +is_a: CHEBI:24587 ! hexosaminide +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:28001 +name: vancomycin +is_a: CHEBI:24396 ! glycopeptide +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28005 +name: cyclohex-1-ene-1-carbonyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:28011 +name: 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28013 +name: beta-D-fructofuranose 1,6-bisphosphate +is_a: CHEBI:37736 ! D-fructofuranose 1,6-bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28017 +name: starch +is_a: CHEBI:37163 ! glucan +relationship: has_part CHEBI:28057 ! amylopectin +relationship: has_part CHEBI:28102 ! amylose +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28018 +name: 3,3',4',5,7-pentahydroxy-8-methoxyflavone +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:25883 ! pentahydroxyflavone +is_a: CHEBI:28802 ! flavonols + +[Term] +id: CHEBI:28024 +name: cyanic acid +is_a: CHEBI:23423 ! pseudohalogen oxoacid +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:28026 +name: plastoquinol-9 +is_a: CHEBI:62192 ! plastoquinol + +[Term] +id: CHEBI:28031 +name: prostaglandin E3 +is_a: CHEBI:26338 ! prostaglandins E +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28032 +name: 4'-hydroxyacetophenone +is_a: CHEBI:25387 ! monohydroxyacetophenone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:28034 +name: beta-D-galactoside +is_a: CHEBI:20961 ! D-galactoside + +[Term] +id: CHEBI:28037 +name: N-acetyl-D-galactosamine +is_a: CHEBI:21601 ! N-acetyl-D-hexosamine +is_a: CHEBI:28800 ! N-acetylgalactosamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28044 +name: phenylalanine +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:33856 ! aromatic amino acid +relationship: has_part CHEBI:22744 ! benzyl group +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:28045 +name: (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:28047 +name: 5beta-cholestane-3alpha,7alpha-diol +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28053 +name: melibiose +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:91139 ! elastin-laminin receptor agonist + +[Term] +id: CHEBI:28054 +name: o-cresol +is_a: CHEBI:25399 ! cresol +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:28057 +name: amylopectin +is_a: CHEBI:65212 ! polysaccharide derivative + +[Term] +id: CHEBI:28058 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28059 +name: cis-1,2-dithiane-4,5-diol +is_a: CHEBI:35489 ! organic disulfide +is_a: CHEBI:51652 ! dithianes + +[Term] +id: CHEBI:28061 +name: alpha-D-galactose +is_a: CHEBI:4139 ! D-galactopyranose +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28063 +name: o-xylene +is_a: CHEBI:27338 ! xylene + +[Term] +id: CHEBI:28064 +name: cyanidin 3-O-rutinoside +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:26587 ! rutinoside +is_a: CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:28066 +name: gentiobiose +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28068 +name: all-trans-zeta-carotene +is_a: CHEBI:27362 ! zeta-carotene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:2807 +name: arbutin 6-phosphate +is_a: CHEBI:22798 ! beta-D-glucoside +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28070 +name: uridine 2'-phosphate +is_a: CHEBI:27237 ! uridine phosphate +is_a: CHEBI:37651 ! pyrimidine ribonucleoside 2'-monophosphate + +[Term] +id: CHEBI:28071 +name: (indol-3-ylacetyl)-myo-inositol 3-L-arabinoside +is_a: CHEBI:22601 ! arabinoside +is_a: CHEBI:24821 ! indolyl carbohydrate +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:28072 +name: guanosine 3'-monophosphate +is_a: CHEBI:37020 ! purine ribonucleoside 3'-monophosphate +is_a: CHEBI:37120 ! guanosine 3'-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28073 +name: chromium atom +is_a: CHEBI:33350 ! chromium group element atom +is_a: CHEBI:88184 ! metal allergen +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:28077 +name: rifampicin +is_a: CHEBI:26580 ! rifamycins +is_a: CHEBI:38532 ! hydrazone +is_a: CHEBI:46847 ! N-iminopiperazine +is_a: CHEBI:46920 ! N-methylpiperazine +is_a: CHEBI:59779 ! cyclic ketal +is_a: CHEBI:72588 ! semisynthetic derivative +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35816 ! leprostatic drug +relationship: has_role CHEBI:37416 ! EC 2.7.7.6 (RNA polymerase) inhibitor +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:48422 ! angiogenesis inhibitor +relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77318 ! pregnane X receptor agonist + +[Term] +id: CHEBI:28080 +name: (2Z,4E)-2-hydroxymuconate(2-) +is_a: CHEBI:24552 ! hexadienedioate + +[Term] +id: CHEBI:28082 +name: 5alpha-cholestane-3beta,5,6beta-triol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +is_a: CHEBI:38194 ! 5alpha-hydroxy steroid + +[Term] +id: CHEBI:28087 +name: glycogen +is_a: CHEBI:24384 ! glycogens +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28088 +name: genistein +is_a: CHEBI:55465 ! 7-hydroxyisoflavones +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor +relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:28089 +name: N-hydroxytyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:28093 +name: borneol +is_a: CHEBI:22912 ! bornane monoterpenoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:28096 +name: S-methyl-5-thio-D-ribulose 1-phosphate +is_a: CHEBI:23638 ! deoxyribulose phosphate + +[Term] +id: CHEBI:28097 +name: chlorobenzene +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:46787 ! solvent + +[Term] +id: CHEBI:28098 +name: kanamycin B +is_a: CHEBI:24951 ! kanamycins + +[Term] +id: CHEBI:28099 +name: prostaglandin B2 +is_a: CHEBI:26335 ! prostaglandins B +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28100 +name: (1->3)-alpha-D-glucan +is_a: CHEBI:22385 ! alpha-D-glucan + +[Term] +id: CHEBI:28101 +name: N(1),N(12)-diacetylspermine +is_a: CHEBI:22205 ! acetylspermine + +[Term] +id: CHEBI:28102 +name: amylose +is_a: CHEBI:37163 ! glucan +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28107 +name: 2-isopropylmalate(2-) +is_a: CHEBI:132917 ! 2-isopropylmalate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:28112 +name: nickel atom +is_a: CHEBI:33362 ! nickel group element atom +is_a: CHEBI:88184 ! metal allergen +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:28113 +name: 24,25-dihydrolanosterol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28115 +name: methylcobalamin +is_a: CHEBI:140785 ! alkylcob(III)alamin +is_a: CHEBI:23334 ! cobalamins +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28116 +name: 5-guanidino-2-oxopentanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28118 +name: muramic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:25432 ! muramic acids +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28119 +name: 2,3,7,8-tetrachlorodibenzodioxine +is_a: CHEBI:36682 ! polychlorinated dibenzodioxine + +[Term] +id: CHEBI:28120 +name: L-fructose +is_a: CHEBI:28757 ! fructose + +[Term] +id: CHEBI:28122 +name: p-cumic acid +is_a: CHEBI:23412 ! cumic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28125 +name: all-cis-docosa-4,7,10,13,16,19-hexaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:36005 ! docosahexaenoic acid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83146 ! Daphnia tenebrosa metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:28129 +name: all-trans-phytofluene +is_a: CHEBI:26120 ! phytofluene +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:28130 +name: 13,14-dihydro-Delta(12)-prostaglandin J2 +is_a: CHEBI:26346 ! prostaglandins J +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:28133 +name: S-alkyl-L-cysteine S-oxide +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:28134 +name: ammelide +is_a: CHEBI:38169 ! monoamino-1,3,5-triazine +is_a: CHEBI:38173 ! dihydroxy-1,3,5-triazine + +[Term] +id: CHEBI:28137 +name: D-glycero-D-manno-heptose 1-phosphate +is_a: CHEBI:35157 ! aldoheptose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28138 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28145 +name: dibenzofuran +is_a: CHEBI:36416 ! mancude organic heterotricyclic parent +is_a: CHEBI:38180 ! polycyclic heteroarene +is_a: CHEBI:38922 ! dibenzofurans +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:28146 +name: L-xylonate +is_a: CHEBI:27345 ! xylonate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28147 +name: N(2')-acetylgentamycin C1a +is_a: CHEBI:21805 ! N(2')-acetylgentamycin + +[Term] +id: CHEBI:28151 +name: 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate +is_a: CHEBI:23375 ! copalyl diphosphate + +[Term] +id: CHEBI:28159 +name: D-asparagine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:22653 ! asparagine + +[Term] +id: CHEBI:28163 +name: iron(III) hydroxamate +is_a: CHEBI:5975 ! iron chelate +relationship: has_part CHEBI:24648 ! hydroxamic acid anion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28164 +name: 5,6beta-epoxy-5beta-cholestan-3beta-ol +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol + +[Term] +id: CHEBI:28168 +name: 6-oxocyclohex-1-ene-1-carbonyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA + +[Term] +id: CHEBI:28171 +name: 5-hydroxytryptophan +is_a: CHEBI:84194 ! hydroxytryptophan +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28173 +name: sorbose 1-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate +is_a: CHEBI:33952 ! sorbose derivative + +[Term] +id: CHEBI:28175 +name: beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28177 +name: theophylline +is_a: CHEBI:23818 ! dimethylxanthine +relationship: has_role CHEBI:35523 ! bronchodilator agent +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:49167 ! anti-asthmatic drug +relationship: has_role CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:51371 ! muscle relaxant +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:71232 ! adenosine receptor antagonist +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:28180 +name: but-3-ynal +is_a: CHEBI:22968 ! butynal +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +is_a: CHEBI:73477 ! terminal acetylenic compound +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28181 +name: 2',3'-cyclic GMP +is_a: CHEBI:19217 ! 2',3'-cyclic purine nucleotide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28185 +name: kanamycin C +is_a: CHEBI:24951 ! kanamycins + +[Term] +id: CHEBI:28189 +name: isomaltose +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28191 +name: 6-alpha-maltosylglucose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:28192 +name: 2-demethylmenaquinone +is_a: CHEBI:25481 ! naphthoquinone +is_a: CHEBI:25830 ! p-quinones +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28193 +name: lupanine +is_a: CHEBI:26515 ! quinolizidine alkaloid +is_a: CHEBI:32876 ! tertiary amine +is_a: CHEBI:77727 ! delta-lactam + +[Term] +id: CHEBI:28194 +name: petroselinic acid +is_a: CHEBI:36022 ! octadec-6-enoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28195 +name: 3alpha-hydroxy-5beta-androstan-17-one +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28197 +name: daidzein +is_a: CHEBI:55465 ! 7-hydroxyisoflavones +relationship: has_role CHEBI:131699 ! EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:28199 +name: ferrienterobactin(3-) +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:33892 ! iron coordination entity +relationship: has_part CHEBI:38150 ! enterobactin(6-) +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28200 +name: 2-chloroethanol +is_a: CHEBI:23141 ! chloroethanol +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:28201 +name: rotenone +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:72581 ! rotenones +relationship: has_role CHEBI:22917 ! phytogenic insecticide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38498 ! mitochondrial NADH:ubiquinone reductase inhibitor + +[Term] +id: CHEBI:28203 +name: N-acetyl-D-phenylalanine +is_a: CHEBI:21501 ! N-acetyl-D-amino acid +is_a: CHEBI:21626 ! N-acetylphenylalanine +is_a: CHEBI:77672 ! N-acyl-D-phenylalanine + +[Term] +id: CHEBI:28205 +name: phaseic acid +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28206 +name: 2'-hydroxyisoflavones +is_a: CHEBI:38755 ! hydroxyisoflavone + +[Term] +id: CHEBI:28207 +name: D-galactosamine 1-phosphate +is_a: CHEBI:24154 ! galactosamine phosphate + +[Term] +id: CHEBI:28209 +name: 5(S)-HETE +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28211 +name: gibberellin A44 +is_a: CHEBI:20859 ! C20-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28217 +name: acrylonitrile +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:80291 ! aliphatic nitrile +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:28220 +name: 2,6-dihydroxypseudooxynicotine +is_a: CHEBI:23793 ! dihydroxypyridine +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:28222 +name: 1,2,4-trichlorobenzene +is_a: CHEBI:27096 ! trichlorobenzene + +[Term] +id: CHEBI:28223 +name: adenosine 2'-phosphate +is_a: CHEBI:37649 ! purine ribonucleoside 2'-monophosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:28225 +name: D-leucine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:25017 ! leucine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28228 +name: S-acetylphosphopantotheine +is_a: CHEBI:26073 ! phosphopantetheine + +[Term] +id: CHEBI:28229 +name: N(omega)-methyl-L-arginine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83965 ! L-arginine derivative + +[Term] +id: CHEBI:28230 +name: hesperetin +is_a: CHEBI:140332 ! 4'-methoxyflavanones +is_a: CHEBI:38738 ! monomethoxyflavanone +is_a: CHEBI:38739 ! trihydroxyflavanone +is_a: CHEBI:48024 ! 3'-hydroxyflavanones +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28232 +name: D-ribose 5-triphosphate +is_a: CHEBI:18159 ! ribose 5-triphosphate + +[Term] +id: CHEBI:28233 +name: 2,4,6-trihydroxybenzophenone +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:24677 ! hydroxybenzophenone + +[Term] +id: CHEBI:28245 +name: (S)-2-amino-6-oxopimelic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:28247 +name: 11beta-hydroxyprogesterone +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28250 +name: 6-O-acetyl-beta-D-galactoside +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:28257 +name: N-acetyl-alpha-D-galactosaminide +is_a: CHEBI:28761 ! N-acetyl-D-galactosaminide + +[Term] +id: CHEBI:28258 +name: vomifoliol +is_a: CHEBI:36739 ! fenchane monoterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28259 +name: (S)-3-hydroxyisobutyryl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28260 +name: galactose +is_a: CHEBI:33917 ! aldohexose +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:28261 +name: (+)-alpha-pinene +is_a: CHEBI:36740 ! alpha-pinene +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28262 +name: dimethyl sulfoxide +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:22063 ! sulfoxide +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:37335 ! MRI contrast agent +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:50247 ! antidote +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28264 +name: 3-oxooctanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28265 +name: coenzyme F430 +is_a: CHEBI:25519 ! nickel tetrapyrrole +relationship: has_role CHEBI:26348 ! prosthetic group + +[Term] +id: CHEBI:28266 +name: fluorene +is_a: CHEBI:35296 ! ortho-fused polycyclic arene +is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon + +[Term] +id: CHEBI:28272 +name: beta-L-arabinofuranose +is_a: CHEBI:6178 ! L-arabinofuranose + +[Term] +id: CHEBI:28273 +name: aldehydo-N-acetyl-D-mannosamine 6-phosphate +is_a: CHEBI:16173 ! aldehydo-N-acyl-D-mannosamine 6-phosphate + +[Term] +id: CHEBI:28276 +name: (S)-3-hydroxyhexanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28279 +name: 6-methylthiopurine +is_a: CHEBI:35666 ! thiopurine + +[Term] +id: CHEBI:28282 +name: N-benzyloxycarbonyl-L-leucine +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:25018 ! L-leucine derivative + +[Term] +id: CHEBI:28283 +name: capsidiol +is_a: CHEBI:36753 ! eremophilane sesquiterpenoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28286 +name: cyclohexane-1,4-dione +is_a: CHEBI:23478 ! cyclohexanedione + +[Term] +id: CHEBI:28291 +name: 3-hydroxyisovaleryl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:24685 ! hydroxybutanoyl-CoA +is_a: CHEBI:25286 ! methylbutanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28293 +name: (S)-1-aminopropan-2-yl phosphate +is_a: CHEBI:19029 ! 1-aminopropan-2-yl phosphate + +[Term] +id: CHEBI:28294 +name: dTDP-4-acetamido-4,6-dideoxy-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:28295 +name: 2-deoxystreptamine +is_a: CHEBI:61689 ! amino cyclitol +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:28296 +name: L-alpha-glutamyl phosphate +is_a: CHEBI:50163 ! alpha-glutamyl phosphate + +[Term] +id: CHEBI:28297 +name: hydantoin-5-propionic acid +is_a: CHEBI:24628 ! imidazolidine-2,4-dione +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28300 +name: glutamine +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:50331 ! 3-amino-3-oxopropyl group +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:28302 +name: glucuronoarabinoxylan +is_a: CHEBI:22603 ! arabinoxylans +is_a: CHEBI:60938 ! glucuronoxylan + +[Term] +id: CHEBI:28303 +name: 2-chlorobenzoate +is_a: CHEBI:23133 ! chlorobenzoate +is_a: CHEBI:70856 ! 2-halobenzoate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28304 +name: heparin +is_a: CHEBI:24505 ! heparins +relationship: has_role CHEBI:50249 ! anticoagulant + +[Term] +id: CHEBI:28307 +name: precorrin-3A +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:28310 +name: 1D-3-O-methyl-myo-inositol +is_a: CHEBI:25270 ! methyl myo-inositols +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28311 +name: indol-3-ylacetaldehyde oxime +is_a: CHEBI:22307 ! aldoxime +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:28317 +name: 3-aminobutyryl-CoA +is_a: CHEBI:22500 ! aminobutanoyl-CoA + +[Term] +id: CHEBI:28318 +name: 3,6-dichlorocatechol +is_a: CHEBI:23699 ! dichlorocatechol + +[Term] +id: CHEBI:28319 +name: L-fucopyranose 1-phosphate +is_a: CHEBI:23627 ! deoxyaldohexose phosphate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28323 +name: 3,4-dihydroxycinnamaldehyde +is_a: CHEBI:23245 ! cinnamaldehydes +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28324 +name: 11-deoxycortisol +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:23618 ! deoxycortisol +is_a: CHEBI:24261 ! glucocorticoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28325 +name: (S)-3-hydroxydecanoyl-CoA +is_a: CHEBI:86338 ! 3-hydroxydecanoyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28328 +name: D-galactosamine +is_a: CHEBI:24156 ! galactosamine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28330 +name: 4-hydroxy-L-threonine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84189 ! L-threonine derivative +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28331 +name: erythromycin D +is_a: CHEBI:48923 ! erythromycin + +[Term] +id: CHEBI:28339 +name: lactose 6'-phosphate +is_a: CHEBI:25004 ! lactose phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28340 +name: L-2-aminobutyrate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:28343 +name: 3-O-alpha-mycarosylerythronolide B +is_a: CHEBI:23955 ! erythronolide + +[Term] +id: CHEBI:28349 +name: alpha-L-fucoside +is_a: CHEBI:24119 ! fucoside +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28353 +name: 4-hydroxycinnamaldehyde +is_a: CHEBI:23245 ! cinnamaldehydes +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28354 +name: 1-deoxy-D-xylulose +is_a: CHEBI:23635 ! deoxypentose +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28358 +name: rac-lactic acid +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:42111 ! (R)-lactic acid +relationship: has_part CHEBI:422 ! (S)-lactic acid +relationship: has_role CHEBI:64049 ! food acidity regulator + +[Term] +id: CHEBI:28359 +name: (-)-beta-pinene +is_a: CHEBI:50025 ! beta-pinene + +[Term] +id: CHEBI:28364 +name: all-cis-5,8,11,14,17-icosapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:36006 ! icosapentaenoic acid +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35821 ! anticholesteremic drug +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite + +[Term] +id: CHEBI:28368 +name: novobiocin +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:25698 ! ether +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35313 ! hexoside +is_a: CHEBI:37912 ! hydroxycoumarin +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28376 +name: 6-acetamido-2-oxohexanoic acid +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28377 +name: plastoquinone-9 +is_a: CHEBI:17757 ! plastoquinone + +[Term] +id: CHEBI:28379 +name: (R)-3-methyl-2-oxovaleric acid +is_a: CHEBI:35932 ! 3-methyl-2-oxovaleric acid + +[Term] +id: CHEBI:28383 +name: alpha,omega-dicarboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:28384 +name: vitamin K +is_a: CHEBI:60004 ! mixture +relationship: has_part CHEBI:16374 ! menaquinone +relationship: has_part CHEBI:18067 ! phylloquinone +relationship: has_part CHEBI:28869 ! menadione +relationship: has_role CHEBI:24020 ! fat-soluble vitamin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28386 +name: 4-hydroxycinnamyl alcohol +is_a: CHEBI:15734 ! primary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28390 +name: (R)-1-aminopropan-2-yl phosphate +is_a: CHEBI:19029 ! 1-aminopropan-2-yl phosphate + +[Term] +id: CHEBI:28393 +name: beta-D-glucosamine +is_a: CHEBI:47977 ! 2-amino-2-deoxy-D-glucopyranose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28394 +name: enol-oxaloacetic acid +is_a: CHEBI:33823 ! enol +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid + +[Term] +id: CHEBI:28395 +name: (+-)-trans-acenaphthene-1,2-diol +is_a: CHEBI:22156 ! acenaphthenes + +[Term] +id: CHEBI:28396 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol +is_a: CHEBI:63428 ! digalactosylglycerol derivative +is_a: CHEBI:90553 ! 1-dihexosyl-2,3-diacylglycerol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28397 +name: cis-4-hydroxy-L-proline +is_a: CHEBI:20392 ! 4-hydroxyproline +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28398 +name: butan-2-one +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:18044 ! dialkyl ketone +is_a: CHEBI:22951 ! butanone +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28401 +name: N-acetyl-D-glucosaminide +is_a: CHEBI:28000 ! N-acetyl-D-hexosaminide +is_a: CHEBI:35373 ! D-glucosaminide +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28408 +name: 4-de(dimethylamino)-4-oxoanhydrotetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28413 +name: 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid +is_a: CHEBI:22512 ! aminoimidazole +is_a: CHEBI:37292 ! 1-(phosphoribosyl)imidazole +is_a: CHEBI:38306 ! imidazole-4-carboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28416 +name: 5-hydroxyimidazole-4-acetic acid +is_a: CHEBI:88291 ! hydroxyimidazole + +[Term] +id: CHEBI:28417 +name: gentamycin C +is_a: CHEBI:17833 ! gentamycin + +[Term] +id: CHEBI:28422 +name: 3-oxohexanoic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:28423 +name: 6-methoxy-2-octaprenyl-1,4-benzoquinone +is_a: CHEBI:132124 ! 1,4-benzoquinones +is_a: CHEBI:35795 ! polyprenylbenzoquinone + +[Term] +id: CHEBI:28424 +name: alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:36544 ! sialodiosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28425 +name: alpha-carotene +is_a: CHEBI:139120 ! carotenoid beta-end group +is_a: CHEBI:35163 ! cyclic carotene +relationship: has_role CHEBI:67200 ! provitamin A +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28426 +name: cyanidin 3-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28427 +name: arabinoxylan +is_a: CHEBI:22603 ! arabinoxylans + +[Term] +id: CHEBI:28428 +name: beta-hexachlorocyclohexane +is_a: CHEBI:24536 ! hexachlorocyclohexane +relationship: has_role CHEBI:25944 ! pesticide +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:28433 +name: phyllohydroquinone +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:51475 ! naphthohydroquinone + +[Term] +id: CHEBI:28436 +name: delphinidin +is_a: CHEBI:140277 ! 5-hydroxyanthocyanidin +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28442 +name: 15-oxoprostaglandin F2alpha +is_a: CHEBI:36066 ! prostaglandins Falpha + +[Term] +id: CHEBI:28446 +name: 3D-3,5/4-trihydroxycyclohexane-1,2-dione +is_a: CHEBI:16145 ! 3,5/4-trihydroxycyclohexane-1,2-dione +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:28453 +name: (20S)-20-hydroxypregn-4-en-3-one +is_a: CHEBI:36728 ! 20-hydroxypregn-4-en-3-one +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28455 +name: D-arabinitol 1-phosphate +is_a: CHEBI:22295 ! alditol 5-phosphate +is_a: CHEBI:22593 ! arabinitol phosphate + +[Term] +id: CHEBI:28459 +name: D-alpha-glutamyl phosphate +is_a: CHEBI:50163 ! alpha-glutamyl phosphate + +[Term] +id: CHEBI:28460 +name: maltotetraose +is_a: CHEBI:61986 ! maltotetraose tetrasaccharide +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28461 +name: 4-amino-4-de(dimethylamino)anhydrotetracycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines + +[Term] +id: CHEBI:28462 +name: ajmaline +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:28464 +name: 4-hydroxy-6-methylpretetramide +is_a: CHEBI:25333 ! pretetramide +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28465 +name: acetaldehyde oxime +is_a: CHEBI:82744 ! aliphatic aldoxime +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28469 +name: 4-(hydroxyamino)quinoline N-oxide +is_a: CHEBI:26508 ! quinoline N-oxide +is_a: CHEBI:36709 ! aminoquinoline + +[Term] +id: CHEBI:28470 +name: 3,5-dihydro-4H-imidazol-4-one +is_a: CHEBI:24781 ! imidazolinone + +[Term] +id: CHEBI:28471 +name: alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:36642 ! glycohexaosylceramide + +[Term] +id: CHEBI:28477 +name: 7alpha,12alpha-dihydroxycholest-4-en-3-one +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28478 +name: (2-hydroxyphenyl)acetic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28479 +name: D-tyrosine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:18186 ! tyrosine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28480 +name: aldehydo-L-lyxose +is_a: CHEBI:62320 ! L-lyxose + +[Term] +id: CHEBI:28484 +name: isovaleric acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:38653 ! methylbutyric acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +relationship: has_role CHEBI:75768 ! mammalian metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28488 +name: m-xylene +is_a: CHEBI:27338 ! xylene + +[Term] +id: CHEBI:28490 +name: L-methionine sulfoximine +is_a: CHEBI:47833 ! methionine sulfoximine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84121 ! L-methionine derivative +relationship: has_role CHEBI:24319 ! EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor + +[Term] +id: CHEBI:28492 +name: 5-methylbarbituric acid +is_a: CHEBI:22693 ! barbiturates + +[Term] +id: CHEBI:28493 +name: decanoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28494 +name: cardiolipin +is_a: CHEBI:17517 ! phosphatidylglycerol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28496 +name: N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:28497 +name: N-acetyl-beta-D-galactosamine +is_a: CHEBI:28037 ! N-acetyl-D-galactosamine +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:28498 +name: acadesine +is_a: CHEBI:22512 ! aminoimidazole +is_a: CHEBI:26556 ! 1-ribosylimidazolecarboxamide +is_a: CHEBI:60783 ! nucleoside analogue +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor + +[Term] +id: CHEBI:28499 +name: kaempferol +is_a: CHEBI:28802 ! flavonols +is_a: CHEBI:38684 ! tetrahydroxyflavone +is_a: CHEBI:52267 ! 7-hydroxyflavonol +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:28506 +name: arsonoacetic acid +is_a: CHEBI:22638 ! organoarsonic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:28507 +name: cytidine 2'-phosphate +is_a: CHEBI:23523 ! cytidine phosphate +is_a: CHEBI:37651 ! pyrimidine ribonucleoside 2'-monophosphate + +[Term] +id: CHEBI:28514 +name: N-acetyl-D-glucosaminyl-(1->4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine +is_a: CHEBI:17149 ! N-acetyl-beta-D-glycosaminyl glycopeptide + +[Term] +id: CHEBI:28516 +name: 1,2-dihydronaphthalene-1,2-diol +is_a: CHEBI:23783 ! naphthalenediols +is_a: CHEBI:90740 ! dihydronaphthalenes +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:28517 +name: biphenyl-2,2',3-triol +is_a: CHEBI:24681 ! hydroxybiphenyls +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28518 +name: alpha-D-xylose +is_a: CHEBI:53455 ! D-xylopyranose +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:28522 +name: 4-hydroxybutyryl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:28526 +name: (KDO)2-lipid IVA +is_a: CHEBI:25051 ! lipid As +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28528 +name: 3-oxodecanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28531 +name: cob(I)yrinic acid a,c diamide +is_a: CHEBI:48033 ! cobyrinic acid a,c diamide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28533 +name: 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:23197 ! cholestanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28536 +name: 3-hydroxyindolin-2-one +is_a: CHEBI:38459 ! oxindoles +is_a: CHEBI:84729 ! hydroxyindoles + +[Term] +id: CHEBI:28537 +name: all-trans-dehydroretinal +is_a: CHEBI:26534 ! retinals + +[Term] +id: CHEBI:28538 +name: N(omega)-hydroxy-L-arginine +is_a: CHEBI:24658 ! hydroxy-L-arginine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:28541 +name: N-acetylneuraminyl-(2->8)-N-acetylneuraminyl-(2->8)-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +is_a: CHEBI:36544 ! sialodiosylceramide +is_a: CHEBI:79215 ! alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28542 +name: 2-deoxy-D-ribofuranose 1-phosphate +is_a: CHEBI:19564 ! 2-deoxyribose 1-phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:28547 +name: D-glucuronate 1-phosphate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28548 +name: D-pinitol +is_a: CHEBI:37208 ! pinitol +relationship: has_role CHEBI:23366 ! compatible osmolytes + +[Term] +id: CHEBI:28549 +name: 3-(indol-3-yl)-2-oxobutyric acid +is_a: CHEBI:24810 ! indol-3-yl carboxylic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:28554 +name: ajugose +is_a: CHEBI:35368 ! hexasaccharide +is_a: CHEBI:74961 ! raffinose family oligosaccharide + +[Term] +id: CHEBI:28556 +name: biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:74630 ! glycosyloxyisoflavone + +[Term] +id: CHEBI:28557 +name: cyclohexane-1-carbonyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:28563 +name: beta-D-mannose +is_a: CHEBI:4208 ! D-mannopyranose +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:28573 +name: (R)-3-hydroxyoctanoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA + +[Term] +id: CHEBI:28578 +name: 2-hydroxyglutaryl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:28579 +name: epsilon-caprolactam +is_a: CHEBI:23000 ! caprolactams +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:28581 +name: UDP-N-acetyl-D-mannosaminouronic acid +is_a: CHEBI:22119 ! UDP-N-acetylmannosaminouronic acid + +[Term] +id: CHEBI:28585 +name: 4-carboxy-4'-sulfoazobenzene +is_a: CHEBI:22682 ! azobenzenes +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26825 ! sulfobenzoic acid + +[Term] +id: CHEBI:28586 +name: verbascose +is_a: CHEBI:35369 ! pentasaccharide +is_a: CHEBI:74961 ! raffinose family oligosaccharide + +[Term] +id: CHEBI:28587 +name: D-threose +is_a: CHEBI:33947 ! threose + +[Term] +id: CHEBI:28591 +name: guaiacol +is_a: CHEBI:134251 ! guaiacols +relationship: has_role CHEBI:48219 ! disinfectant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77035 ! expectorant +relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor + +[Term] +id: CHEBI:28592 +name: ricinoleic acid +is_a: CHEBI:85639 ! (9Z)-12-hydroxyoctadec-9-enoic acid + +[Term] +id: CHEBI:28599 +name: siroheme +is_a: CHEBI:30413 ! heme +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28600 +name: farnesol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26199 ! polyprenol +is_a: CHEBI:36757 ! farnesane sesquiterpenoid +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:28602 +name: beta-D-fructofuranose 2,6-bisphosphate +is_a: CHEBI:78687 ! D-fructofuranose 2,6-bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28607 +name: coproporphyrinogen I +is_a: CHEBI:15438 ! coproporphyrinogen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28609 +name: N-benzoyl-4-methoxyanthranilic acid +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:28610 +name: 1-O-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:131739 ! lysophosphatidylcholine (18:1/0:0) +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:76083 ! oleoyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:28616 +name: carbamic acid +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:35605 ! carbon oxoacid +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28618 +name: 1,4-dichlorobenzene +is_a: CHEBI:23697 ! dichlorobenzene +relationship: has_role CHEBI:24852 ! insecticide + +[Term] +id: CHEBI:28619 +name: acrylamide +is_a: CHEBI:140324 ! primary carboxamide +is_a: CHEBI:22216 ! acrylamides +is_a: CHEBI:83628 ! N-acylammonia +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:77523 ! Maillard reaction product + +[Term] +id: CHEBI:28621 +name: triethanolamine +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:35195 ! surfactant +relationship: has_role CHEBI:35225 ! buffer + +[Term] +id: CHEBI:28624 +name: tetrahydrofolyl-poly(glutamic acid) macromolecule +is_a: CHEBI:26908 ! tetrahydrofolyl glutamate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28629 +name: precorrin-8X +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:28630 +name: 3-hydroxypyridin-4(1H)-one +is_a: CHEBI:20485 ! 4-pyridones + +[Term] +id: CHEBI:28631 +name: 3-phenylpropionic acid +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28632 +name: (S)-3-hydroxyoctanoyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28635 +name: 2-isopropylmalic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28636 +name: 3-methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone +is_a: CHEBI:35795 ! polyprenylbenzoquinone + +[Term] +id: CHEBI:28637 +name: 2',3'-cyclic UMP +is_a: CHEBI:19218 ! 2',3'-cyclic pyrimidine nucleotide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28638 +name: isobutyronitrile +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:80291 ! aliphatic nitrile +relationship: has_role CHEBI:48358 ! polar aprotic solvent + +[Term] +id: CHEBI:28639 +name: UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioic acid +is_a: CHEBI:35257 ! UDP-glycopeptide + +[Term] +id: CHEBI:28640 +name: lipoteichoic acid +is_a: CHEBI:30049 ! teichoic acid + +[Term] +id: CHEBI:28644 +name: 2-oxopentanoate +is_a: CHEBI:25798 ! oxopentanoates +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:28645 +name: beta-D-fructofuranose +is_a: CHEBI:37721 ! D-fructofuranose +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28646 +name: ammeline +is_a: CHEBI:38170 ! diamino-1,3,5-triazine +is_a: CHEBI:38172 ! monohydroxy-1,3,5-triazine + +[Term] +id: CHEBI:28647 +name: 3-O-methylgallic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:28648 +name: beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer +is_a: CHEBI:36541 ! sialotriaosylceramide +is_a: CHEBI:79219 ! N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28651 +name: (S)-norlaudanosoline +is_a: CHEBI:28770 ! norlaudanosoline + +[Term] +id: CHEBI:28654 +name: 3-methyl-2-oxovalerate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28659 +name: phosphorus atom +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33300 ! pnictogen +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:28660 +name: (-)-alpha-pinene +is_a: CHEBI:36740 ! alpha-pinene + +[Term] +id: CHEBI:28661 +name: gamma-linolenic acid +is_a: CHEBI:25048 ! linolenic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28663 +name: galactitol 1-phosphate +is_a: CHEBI:22292 ! alditol 1-phosphate +is_a: CHEBI:24582 ! hexitol phosphate +is_a: CHEBI:63432 ! galactitol derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28666 +name: leukotriene D4 +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:50141 ! bronchoconstrictor agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28673 +name: 3-oxopropanoyl-CoA +is_a: CHEBI:26296 ! propanoyl-CoAs + +[Term] +id: CHEBI:28675 +name: dextrin +is_a: CHEBI:23652 ! dextrins + +[Term] +id: CHEBI:28680 +name: cytarabine +is_a: CHEBI:26440 ! pyrimidine nucleoside +is_a: CHEBI:38315 ! beta-D-arabinoside +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35705 ! immunosuppressive agent + +[Term] +id: CHEBI:28681 +name: N,N'-diacetylchitobiose +is_a: CHEBI:23101 ! N,N'-diacetylchitobioses +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28683 +name: kynurenine +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:76224 ! aromatic ketone +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28684 +name: 4-acetamidobutanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:28685 +name: molybdenum atom +is_a: CHEBI:33350 ! chromium group element atom +relationship: has_role CHEBI:27027 ! micronutrient + +[Term] +id: CHEBI:28689 +name: dehydroepiandrosterone +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28691 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:90803 ! alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28694 +name: copper atom +is_a: CHEBI:33366 ! copper group element atom +relationship: has_role CHEBI:27027 ! micronutrient +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28697 +name: 21-deoxycortisol +is_a: CHEBI:23618 ! deoxycortisol + +[Term] +id: CHEBI:28699 +name: cyclic 2,3-bisphospho-D-glyceric acid +is_a: CHEBI:22902 ! bisphosphoglyceric acid + +[Term] +id: CHEBI:28700 +name: 20-hydroxy-leukotriene E4 +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:28701 +name: chenodeoxycholoyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28706 +name: trans-hex-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28710 +name: 3-hydroxy-3-methyl-2-oxopentanoic acid +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:28715 +name: 5-hydroxykynurenamine +is_a: CHEBI:24705 ! hydroxykynurenamine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28716 +name: (9Z)-hexadecenoic acid +is_a: CHEBI:72004 ! hexadec-9-enoic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor +relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite +relationship: has_role CHEBI:84735 ! algal metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:28717 +name: O-decanoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:68830 ! O-decanoylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28718 +name: L-allothreonine +is_a: CHEBI:38262 ! allothreonine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28719 +name: 4-hydroxyphenylglyoxylic acid +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:28721 +name: ribulose +is_a: CHEBI:24977 ! ketopentose + +[Term] +id: CHEBI:28723 +name: D-glycero-D-manno-heptose 7-phosphate +is_a: CHEBI:35157 ! aldoheptose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28724 +name: 9,10-dihydroxyoctadecanoic acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:28725 +name: N(6')-acetylkanamycin +is_a: CHEBI:22201 ! acetylkanamycin + +[Term] +id: CHEBI:28726 +name: 3-oxotetradecanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28727 +name: trans-vaccenic acid +is_a: CHEBI:36023 ! vaccenic acid + +[Term] +id: CHEBI:28728 +name: thromboxane B2 +is_a: CHEBI:26996 ! thromboxanes B +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28729 +name: alpha-D-mannose +is_a: CHEBI:4208 ! D-mannopyranose +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:28731 +name: gibberellin A19 +is_a: CHEBI:20859 ! C20-gibberellin +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28733 +name: 1-linoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:140444 ! linoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:91309 ! lysophosphatidylcholine(18:2/0:0) +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28743 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:90802 ! alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28744 +name: 2-hydroxy-17beta-estradiol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36857 ! 2-hydroxy steroid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28745 +name: L-xylo-hex-3-ulonolactone +is_a: CHEBI:37427 ! ketoaldonolactone + +[Term] +id: CHEBI:28747 +name: picolinic acid +is_a: CHEBI:26420 ! pyridinemonocarboxylic acid +relationship: has_role CHEBI:64345 ! MALDI matrix material +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28748 +name: doxorubicin +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28749 +name: aryl beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:28750 +name: 17alpha-hydroxypregnenolone +is_a: CHEBI:138141 ! 17alpha-hydroxy-C21-steroid +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:36730 ! hydroxypregnenolone +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28751 +name: biochanin A 7-O-beta-D-glucoside +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:140301 ! 7-hydroxyisoflavones 7-O-beta-D-glucoside +is_a: CHEBI:38755 ! hydroxyisoflavone +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:28755 +name: 2,4,6-trichlorophenol +is_a: CHEBI:27102 ! trichlorophenol +relationship: has_role CHEBI:50903 ! carcinogenic agent + +[Term] +id: CHEBI:28757 +name: fructose +is_a: CHEBI:24973 ! ketohexose +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:28759 +name: 3-oxo-3-phenylpropionic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:28761 +name: N-acetyl-D-galactosaminide +is_a: CHEBI:20954 ! D-galactosaminide +is_a: CHEBI:28000 ! N-acetyl-D-hexosaminide +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:28763 +name: 4,4'-dichlorodiphenylmethane +is_a: CHEBI:23156 ! chlorophenylmethane +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:28765 +name: phosphatidylinositol phosphate +is_a: CHEBI:18179 ! phosphoinositide + +[Term] +id: CHEBI:28766 +name: uroporphyrinogen I +is_a: CHEBI:27258 ! uroporphyrinogen +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28767 +name: 2-deoxy-D-ribose 1,5-bisphosphate +is_a: CHEBI:19568 ! 2-deoxyribose bisphosphate + +[Term] +id: CHEBI:28768 +name: p-cymene +is_a: CHEBI:27024 ! toluenes +is_a: CHEBI:35187 ! monoterpene +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:28770 +name: norlaudanosoline +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:24923 ! isoquinolinol +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28774 +name: 3,3',5'-triiodothyronine +is_a: CHEBI:24864 ! iodothyronine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28775 +name: hesperidin +is_a: CHEBI:140332 ! 4'-methoxyflavanones +is_a: CHEBI:26587 ! rutinoside +is_a: CHEBI:38738 ! monomethoxyflavanone +is_a: CHEBI:38749 ! dihydroxyflavanone +is_a: CHEBI:48024 ! 3'-hydroxyflavanones +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:72730 ! flavanone glycoside +relationship: has_role CHEBI:25435 ! mutagen + +[Term] +id: CHEBI:28777 +name: liquiritigenin +is_a: CHEBI:136678 ! 4',7-dihydroxyflavanone +relationship: has_role CHEBI:51060 ! hormone agonist +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28785 +name: (+)-ureidoglycolic acid +is_a: CHEBI:49050 ! ureidoglycolic acid + +[Term] +id: CHEBI:28787 +name: nitroglycerin +is_a: CHEBI:25560 ! nitroglycerol +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:50566 ! nitric oxide donor +relationship: has_role CHEBI:51371 ! muscle relaxant +relationship: has_role CHEBI:63490 ! explosive +relationship: has_role CHEBI:66993 ! tocolytic agent + +[Term] +id: CHEBI:28788 +name: quinoline-3,4-diol +is_a: CHEBI:26507 ! dihydroxyquinoline + +[Term] +id: CHEBI:28789 +name: L-glucitol +is_a: CHEBI:30911 ! glucitol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:28790 +name: serotonin +is_a: CHEBI:25375 ! monoamine molecular messenger +is_a: CHEBI:27162 ! tryptamines +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28791 +name: isoglutamic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:28792 +name: erucic acid +is_a: CHEBI:36031 ! docosenoic acid + +[Term] +id: CHEBI:28793 +name: beta-D-glucan +is_a: CHEBI:37163 ! glucan + +[Term] +id: CHEBI:28794 +name: coumarin +is_a: CHEBI:23403 ! coumarins +relationship: has_role CHEBI:51121 ! fluorescent dye +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28796 +name: fructan +is_a: CHEBI:37164 ! homopolysaccharide + +[Term] +id: CHEBI:28797 +name: D-alpha-aminobutyric acid +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:35621 ! alpha-aminobutyric acid + +[Term] +id: CHEBI:28800 +name: N-acetylgalactosamine +is_a: CHEBI:21655 ! N-acylgalactosamine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28802 +name: flavonols +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:28803 +name: pyridoxine 5'-phosphate +is_a: CHEBI:36970 ! vitamin B6 phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28804 +name: D-2-aminopentanoic acid +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:19475 ! 2-aminopentanoic acid + +[Term] +id: CHEBI:28806 +name: 2'-deoxyinosine-5'-monophosphate +is_a: CHEBI:23630 ! deoxyinosine phosphate +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28807 +name: dITP +is_a: CHEBI:23630 ! deoxyinosine phosphate +is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28808 +name: mannan +is_a: CHEBI:37164 ! homopolysaccharide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:28812 +name: (aminomethyl)phosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:28813 +name: sinapyl alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:51681 ! dimethoxybenzene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28815 +name: heparan sulfate +is_a: CHEBI:35721 ! heparan sulfates +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28817 +name: dodecane +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28818 +name: (24R)-24,25-dihydroxycalciol +is_a: CHEBI:36818 ! seco-cholestane +is_a: CHEBI:36853 ! hydroxy seco-steroid +is_a: CHEBI:47042 ! hydroxycalciol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28821 +name: piperine +is_a: CHEBI:140326 ! tertiary carboxamide +is_a: CHEBI:26147 ! piperidine alkaloid +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:48591 ! N-acylpiperidine +relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:28822 +name: arachidic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28823 +name: 2'-deoxyinosine-5'-diphosphate +is_a: CHEBI:23630 ! deoxyinosine phosphate +is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28824 +name: stigmasterol +is_a: CHEBI:131703 ! stigmastane sterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:33229 ! vitamin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28826 +name: fluoromethane +is_a: CHEBI:25253 ! methyl halides +is_a: CHEBI:39281 ! fluoromethanes +is_a: CHEBI:46695 ! fluorohydrocarbon +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:28827 +name: sparteine +is_a: CHEBI:26515 ! quinolizidine alkaloid +is_a: CHEBI:38526 ! quinolizidine alkaloid fundamental parent + +[Term] +id: CHEBI:28829 +name: aminophenol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:48975 ! substituted aniline + +[Term] +id: CHEBI:28831 +name: propan-1-ol +is_a: CHEBI:26279 ! propan-1-ols +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48356 ! protic solvent + +[Term] +id: CHEBI:28833 +name: gibberellin A3 +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28834 +name: deoxycholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:28835 +name: testosterone 17-glucosiduronic acid +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28837 +name: octanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28838 +name: lutein +is_a: CHEBI:23045 ! carotenol +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77182 ! food colouring + +[Term] +id: CHEBI:28839 +name: 3-disulfanyl-L-alanine +is_a: CHEBI:47910 ! S-substituted L-cysteine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28842 +name: octadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26607 ! saturated fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:28843 +name: 5-amino-1-(5-phospho-D-ribosyl)imidazole +is_a: CHEBI:22512 ! aminoimidazole +is_a: CHEBI:37292 ! 1-(phosphoribosyl)imidazole + +[Term] +id: CHEBI:28846 +name: dCDP +is_a: CHEBI:37037 ! pyrimidine 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28847 +name: D-fucose +is_a: CHEBI:33984 ! fucose + +[Term] +id: CHEBI:28850 +name: dUDP +is_a: CHEBI:23641 ! deoxyuridine phosphate +is_a: CHEBI:37037 ! pyrimidine 2'-deoxyribonucleoside 5'-diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28851 +name: phenanthrene +is_a: CHEBI:25961 ! phenanthrenes +is_a: CHEBI:35296 ! ortho-fused polycyclic arene +is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:28852 +name: prostaglandin F1alpha +is_a: CHEBI:36066 ! prostaglandins Falpha +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28853 +name: isopimpinellin +is_a: CHEBI:26369 ! psoralens + +[Term] +id: CHEBI:28854 +name: 2,4-D +is_a: CHEBI:23152 ! chlorophenoxyacetic acid +is_a: CHEBI:23697 ! dichlorobenzene +relationship: has_role CHEBI:23582 ! defoliant +relationship: has_role CHEBI:26841 ! synthetic auxin +relationship: has_role CHEBI:33286 ! agrochemical +relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:28855 +name: enterobactin +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:37409 ! crown compound +is_a: CHEBI:51026 ! macrocycle +relationship: has_role CHEBI:26672 ! siderophore +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28856 +name: p-toluate +is_a: CHEBI:27021 ! toluate + +[Term] +id: CHEBI:28857 +name: (Z)-hex-3-en-1-ol +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:50582 ! alkenyl alcohol +relationship: has_role CHEBI:24850 ! insect attractant +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28858 +name: 1D-myo-inositol 3,4-bisphosphate +is_a: CHEBI:25443 ! myo-inositol bisphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28859 +name: 5alpha-androstane +is_a: CHEBI:35509 ! androstane +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28860 +name: beta-D-glucuronic acid +is_a: CHEBI:47952 ! D-glucopyranuronic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:28861 +name: gibberellin A8 +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28862 +name: dGDP +is_a: CHEBI:23625 ! deoxyguanosine phosphate +is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:63573 ! guanyl deoxyribonucleotide +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:28863 +name: flavanones +is_a: CHEBI:38672 ! flavans +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:28864 +name: tobramycin +is_a: CHEBI:22479 ! amino cyclitol glycoside +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:28865 +name: taurocholic acid +is_a: CHEBI:23219 ! bile acid taurine conjugate +is_a: CHEBI:37793 ! amino sulfonic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28866 +name: tetracosanoic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83146 ! Daphnia tenebrosa metabolite + +[Term] +id: CHEBI:28867 +name: O-propanoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +relationship: has_role CHEBI:35480 ! analgesic +relationship: has_role CHEBI:35842 ! antirheumatic drug +relationship: has_role CHEBI:38147 ! cardiotonic drug +relationship: has_role CHEBI:49110 ! peripheral nervous system drug +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28868 +name: fatty acid anion +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:28869 +name: menadione +is_a: CHEBI:132142 ! 1,4-naphthoquinones +relationship: has_role CHEBI:50733 ! nutraceutical + +[Term] +id: CHEBI:28870 +name: 1-O-all-trans-retinoyl-beta-glucuronic acid +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:33886 ! glucuronic acids +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28873 +name: cis-2-coumaric acid +is_a: CHEBI:18176 ! 2-coumaric acid + +[Term] +id: CHEBI:28874 +name: phosphatidylinositol +is_a: CHEBI:36315 ! glycerophosphoinositol + +[Term] +id: CHEBI:28875 +name: tetradecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:28878 +name: dodecan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23866 ! dodecanols +is_a: CHEBI:24026 ! fatty alcohol +relationship: has_role CHEBI:24850 ! insect attractant +relationship: has_role CHEBI:25944 ! pesticide +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:64857 ! cosmetic +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28880 +name: (S)-mevalonic acid +is_a: CHEBI:25351 ! mevalonic acid + +[Term] +id: CHEBI:28881 +name: 2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose +is_a: CHEBI:47978 ! N-acetylmuramate + +[Term] +id: CHEBI:28884 +name: N-phenylacetamide +is_a: CHEBI:13248 ! anilide +is_a: CHEBI:22160 ! acetamides +relationship: has_role CHEBI:35480 ! analgesic + +[Term] +id: CHEBI:28885 +name: butan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:50584 ! alkyl alcohol +relationship: has_role CHEBI:48356 ! protic solvent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28887 +name: dimethyl ether +is_a: CHEBI:25698 ! ether + +[Term] +id: CHEBI:28889 +name: 5,6,7,8-tetrahydropteridine +is_a: CHEBI:26373 ! pteridines +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28890 +name: coenzyme B +is_a: CHEBI:84189 ! L-threonine derivative +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:28891 +name: oxanthrene +is_a: CHEBI:23825 ! dibenzodioxine +is_a: CHEBI:36416 ! mancude organic heterotricyclic parent +is_a: CHEBI:36680 ! heteranthrene +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38180 ! polycyclic heteroarene + +[Term] +id: CHEBI:28892 +name: ganglioside +is_a: CHEBI:17761 ! ceramide +is_a: CHEBI:36526 ! acidic glycosphingolipid + +[Term] +id: CHEBI:28894 +name: 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:28895 +name: 3'-UMP +is_a: CHEBI:27237 ! uridine phosphate +is_a: CHEBI:37018 ! pyrimidine ribonucleoside 3'-monophosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28897 +name: pentadecane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28898 +name: P(1),P(5)-bis(5'-adenosyl) pentaphosphate +is_a: CHEBI:63737 ! diadenosyl pentaphosphate +relationship: has_role CHEBI:50514 ! vasoconstrictor agent +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28900 +name: N-alkylphthalic monoamide +is_a: CHEBI:35735 ! dicarboxylic acid monoamide + +[Term] +id: CHEBI:28902 +name: N-phenylhydroxylamine +is_a: CHEBI:35323 ! N-substituted amine + +[Term] +id: CHEBI:28903 +name: decan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:24026 ! fatty alcohol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48356 ! protic solvent + +[Term] +id: CHEBI:28905 +name: prop-2-yn-1-ol +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:26313 ! propynol +is_a: CHEBI:73477 ! terminal acetylenic compound +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:28907 +name: 2,3-bisphosphoglyceric acid +is_a: CHEBI:22902 ! bisphosphoglyceric acid +is_a: CHEBI:63455 ! tetronic acid derivative +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28909 +name: iprodione +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:24628 ! imidazolidine-2,4-dione +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:87068 ! imidazole fungicide +is_a: CHEBI:87197 ! dichlorophenyl dicarboximide fungicide +relationship: has_role CHEBI:25491 ! nematicide +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:28911 +name: cob(III)alamin +is_a: CHEBI:30411 ! cobalamin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28913 +name: (2E)-hexenal +is_a: CHEBI:19591 ! 2-hexenal +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28915 +name: fosfomycin +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:32955 ! epoxide +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:78379 ! EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor + +[Term] +id: CHEBI:28918 +name: (R)-adrenaline +is_a: CHEBI:33568 ! adrenaline +relationship: has_role CHEBI:24621 ! hormone +relationship: has_role CHEBI:35522 ! beta-adrenergic agonist +relationship: has_role CHEBI:35523 ! bronchodilator agent +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:35569 ! alpha-adrenergic agonist +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:37886 ! adrenergic agonist +relationship: has_role CHEBI:50513 ! mydriatic agent +relationship: has_role CHEBI:50514 ! vasoconstrictor agent +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28919 +name: estrone 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28927 +name: sakuranetin +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:140377 ! (2S)-flavan-4-one +is_a: CHEBI:38738 ! monomethoxyflavanone +is_a: CHEBI:38749 ! dihydroxyflavanone +is_a: CHEBI:60951 ! flavonoid phytoalexin +relationship: has_role CHEBI:64912 ! antimycobacterial drug +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28928 +name: angelicin +is_a: CHEBI:24128 ! furanocoumarin + +[Term] +id: CHEBI:28931 +name: 3'-AMP +is_a: CHEBI:37020 ! purine ribonucleoside 3'-monophosphate +is_a: CHEBI:37097 ! adenosine 3'-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28934 +name: vitamin D2 +is_a: CHEBI:27300 ! vitamin D +is_a: CHEBI:36819 ! seco-ergostane +is_a: CHEBI:36853 ! hydroxy seco-steroid +relationship: has_role CHEBI:33288 ! rodenticide +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28935 +name: (E)-hexadec-2-enoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:52381 ! hexadec-2-enoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28936 +name: 2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64574 ! lysophosphatidylethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28937 +name: (-)-abscisic acid +is_a: CHEBI:22152 ! 2-cis-abscisic acid +relationship: has_role CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:28938 +name: ammonium +is_a: CHEBI:35106 ! nitrogen hydride +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:50313 ! onium cation +is_a: CHEBI:60242 ! monovalent inorganic cation +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28939 +name: N-acetyl-L-cysteine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:22198 ! acetylcysteine +is_a: CHEBI:83824 ! L-cysteine derivative +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:36044 ! antiviral drug +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:73336 ! vulnerary +relationship: has_role CHEBI:74529 ! antidote to paracetamol poisoning +relationship: has_role CHEBI:77034 ! mucolytic +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28940 +name: calciol +is_a: CHEBI:26764 ! steroid hormone +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36818 ! seco-cholestane +is_a: CHEBI:36853 ! hydroxy seco-steroid +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28941 +name: docosanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28942 +name: CDP-alpha-D-glucose +is_a: CHEBI:35242 ! CDP-D-glucose + +[Term] +id: CHEBI:28943 +name: N-acylsphingosine 1-phosphoethanolamine +is_a: CHEBI:73204 ! ceramide phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28944 +name: N-acetyl-7-O-acetylneuraminate +is_a: CHEBI:29065 ! N-acetyl-O-acetylneuraminate + +[Term] +id: CHEBI:28946 +name: theobromine +is_a: CHEBI:23818 ! dimethylxanthine +relationship: has_role CHEBI:35523 ! bronchodilator agent +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:71232 ! adenosine receptor antagonist +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:28948 +name: gramine +is_a: CHEBI:38631 ! aminoalkylindole +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:48279 ! serotonergic antagonist +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28951 +name: (9S,10S)-9,10-dihydrophenanthrene-9,10-diol +is_a: CHEBI:37470 ! trans-9,10-dihydrophenanthrene-9,10-diol + +[Term] +id: CHEBI:28952 +name: 5alpha-pregnane-3,20-dione +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:64600 ! C21-steroid hormone +relationship: has_role CHEBI:50745 ! progestogen +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28955 +name: 2-methoxy-17beta-estradiol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50926 ! angiogenesis modulating agent +relationship: has_role CHEBI:64911 ! antimitotic +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28956 +name: cobinamide +is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:28963 +name: amino sugar +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:28965 +name: dicarboxylic acid dianion +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:38716 ! carboxylic acid dianion + +[Term] +id: CHEBI:28966 +name: chlorophyll +is_a: CHEBI:25111 ! magnesium porphyrin + +[Term] +id: CHEBI:28968 +name: N'-phosphoguanidinoethyl methyl hydrogen phosphate +is_a: CHEBI:24442 ! guanidinoethyl methyl phosphates + +[Term] +id: CHEBI:28969 +name: N,N-dimethyltryptamine +is_a: CHEBI:27162 ! tryptamines +is_a: CHEBI:48274 ! tryptamine alkaloid + +[Term] +id: CHEBI:28972 +name: (R)-propane-1,2-diol +is_a: CHEBI:16997 ! propane-1,2-diol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28975 +name: 2,5-dichloro-2,5-cyclohexadiene-1,4-diol +is_a: CHEBI:23469 ! cyclohexadienediol +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:36683 ! organochlorine compound +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:28976 +name: carbonic acid +is_a: CHEBI:35605 ! carbon oxoacid +is_a: CHEBI:36961 ! chalcocarbonic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:28977 +name: 2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:28982 +name: (S)-1,2-epoxypropane +is_a: CHEBI:38685 ! 1,2-epoxypropane + +[Term] +id: CHEBI:28984 +name: aluminium atom +is_a: CHEBI:33317 ! boron group element atom +is_a: CHEBI:33521 ! metal atom + +[Term] +id: CHEBI:28985 +name: (R)-1,2-epoxypropane +is_a: CHEBI:38685 ! 1,2-epoxypropane + +[Term] +id: CHEBI:28987 +name: abietic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:36762 ! abietane diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:28989 +name: 2,4,5-trichlorocyclohexa-2,5-dien-1-ol +is_a: CHEBI:23470 ! cyclohexadienol +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:28990 +name: 2-hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoic acid +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:28991 +name: (2S,3R)-aldono-1,5-lactone +is_a: CHEBI:140380 ! an aldono-1,5-lactone +is_a: CHEBI:74105 ! aldono-1,5-lactone + +[Term] +id: CHEBI:28992 +name: 2-hydroxychromene-2-carboxylic acid +is_a: CHEBI:39436 ! chromenol +is_a: CHEBI:59352 ! chromenemonocarboxylic acid + +[Term] +id: CHEBI:28995 +name: 2,4-dichlorobenzoate +is_a: CHEBI:23133 ! chlorobenzoate +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:28997 +name: 2'-deoxyinosine +is_a: CHEBI:142361 ! purines 2'-deoxy-D-ribonucleoside +is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:28999 +name: N-acetyl-9-O-acetylneuraminate +is_a: CHEBI:29065 ! N-acetyl-O-acetylneuraminate + +[Term] +id: CHEBI:29001 +name: (3R)-3-isopropenyl-6-oxoheptanoate +is_a: CHEBI:64234 ! 3-isopropenyl-6-oxoheptanoate + +[Term] +id: CHEBI:29002 +name: (S)-propane-1,2-diol +is_a: CHEBI:16997 ! propane-1,2-diol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29003 +name: L-citramalic acid +is_a: CHEBI:15584 ! citramalic acid + +[Term] +id: CHEBI:29005 +name: cyclohexane +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:23453 ! cycloalkane +relationship: has_role CHEBI:48355 ! non-polar solvent + +[Term] +id: CHEBI:29006 +name: N-acetyl-4-O-acetylneuraminate +is_a: CHEBI:29065 ! N-acetyl-O-acetylneuraminate + +[Term] +id: CHEBI:29009 +name: N(tele)-methylhistamine +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29010 +name: 2'-aminobiphenyl-2,3-diol +is_a: CHEBI:22496 ! aminobiphenyl +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:29013 +name: fusidic acid +is_a: CHEBI:19129 ! 11alpha-hydroxy steroid +is_a: CHEBI:26761 ! steroid antibiotic +is_a: CHEBI:35915 ! sterol ester +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77194 ! EC 2.7.1.33 (pantothenate kinase) inhibitor + +[Term] +id: CHEBI:29014 +name: cordycepin +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:36987 ! 3'-deoxyribonucleoside +relationship: has_role CHEBI:25605 ! nucleoside antibiotic +relationship: has_role CHEBI:35221 ! antimetabolite + +[Term] +id: CHEBI:29016 +name: arginine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:50340 ! 3-carbamimidamidopropyl group +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:29017 +name: 1-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:55493 ! 1-O-acylglycerophosphoethanolamine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:29019 +name: nonanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:22583 ! antifeedant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:29021 +name: hexane +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:50910 ! neurotoxin + +[Term] +id: CHEBI:29024 +name: 4-methyl-3-oxopentanoic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid + +[Term] +id: CHEBI:29028 +name: glucobrassicin +is_a: CHEBI:24821 ! indolyl carbohydrate +is_a: CHEBI:79364 ! indolylmethylglucosinolic acid + +[Term] +id: CHEBI:29031 +name: phosphinic acid +is_a: CHEBI:26044 ! phosphinic acids +is_a: CHEBI:33457 ! phosphorus oxoacid +relationship: has_role CHEBI:22586 ! antioxidant + +[Term] +id: CHEBI:29032 +name: (R)-pantothenate +is_a: CHEBI:16454 ! pantothenate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29033 +name: iron(2+) +is_a: CHEBI:24875 ! iron cation +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29034 +name: iron(3+) +is_a: CHEBI:24875 ! iron cation +is_a: CHEBI:27153 ! monoatomic trication +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29035 +name: manganese(2+) +is_a: CHEBI:25155 ! manganese cation +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation + +[Term] +id: CHEBI:29036 +name: copper(2+) +is_a: CHEBI:23378 ! copper cation +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation + +[Term] +id: CHEBI:29039 +name: 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-lysyl)-sn-glycerol +is_a: CHEBI:17517 ! phosphatidylglycerol +is_a: CHEBI:25095 ! L-lysine derivative + +[Term] +id: CHEBI:29041 +name: manganese(3+) +is_a: CHEBI:25155 ! manganese cation +is_a: CHEBI:27153 ! monoatomic trication + +[Term] +id: CHEBI:29042 +name: alpha-D-glucose 1-phosphate +is_a: CHEBI:16077 ! D-glucopyranose 1-phosphate + +[Term] +id: CHEBI:29043 +name: O-beta-D-glucosyl-cis-zeatin +is_a: CHEBI:38646 ! O-beta-D-glucosylzeatin + +[Term] +id: CHEBI:29044 +name: 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:36147 ! oxo dicarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:29045 +name: maleamic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:29051 +name: D-mannosyl undecaprenyl phosphate +is_a: CHEBI:21060 ! mannose phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:29052 +name: D-glyceraldehyde 3-phosphate +is_a: CHEBI:17138 ! glyceraldehyde 3-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:29053 +name: pyridine-3,4-diol +is_a: CHEBI:23793 ! dihydroxypyridine + +[Term] +id: CHEBI:29055 +name: 3,4-dihydroxyphenylpyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:29056 +name: lipid IVA +is_a: CHEBI:25051 ! lipid As + +[Term] +id: CHEBI:29057 +name: keratan +is_a: CHEBI:18085 ! glycosaminoglycan + +[Term] +id: CHEBI:29060 +name: alpha-pinene oxide +is_a: CHEBI:26133 ! pinane monoterpenoid +is_a: CHEBI:32955 ! epoxide +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29062 +name: GDP-glucose +is_a: CHEBI:21167 ! GDP-hexose +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29063 +name: L-mimosine +is_a: CHEBI:20485 ! 4-pyridones +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29064 +name: 1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one +is_a: CHEBI:25579 ! nonanone + +[Term] +id: CHEBI:29065 +name: N-acetyl-O-acetylneuraminate +is_a: CHEBI:21619 ! N-acetylneuraminates + +[Term] +id: CHEBI:29067 +name: carboxylic acid anion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:35406 ! oxoanion + +[Term] +id: CHEBI:29069 +name: phthalic acid +is_a: CHEBI:26094 ! benzenedicarboxylic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:29071 +name: 3-deoxy-D-glycero-hexo-2,5-diulosonate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion + +[Term] +id: CHEBI:29073 +name: L-ascorbic acid +is_a: CHEBI:22652 ! ascorbic acid +relationship: has_role CHEBI:21241 ! vitamin C +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:27314 ! water-soluble vitamin +relationship: has_role CHEBI:64577 ! flour treatment agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77962 ! food antioxidant + +[Term] +id: CHEBI:29074 +name: dolichyl palmitate +is_a: CHEBI:16030 ! acyldolichol +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:29075 +name: mononucleotide +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:29076 +name: 3''-adenylylstreptomycin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:26787 ! streptomycin phosphate +is_a: CHEBI:35244 ! nucleotide-oligosaccharide +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate + +[Term] +id: CHEBI:29081 +name: synephrine +is_a: CHEBI:23981 ! ethanolamines +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38605 ! phenethylamine alkaloid +relationship: has_role CHEBI:35569 ! alpha-adrenergic agonist +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29083 +name: N-methyl-L-glutamate(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:29084 +name: (2->1)-beta-D-fructan +is_a: CHEBI:28796 ! fructan + +[Term] +id: CHEBI:29086 +name: 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid +is_a: CHEBI:26616 ! seco-androstane +is_a: CHEBI:33823 ! enol +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:29089 +name: 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:16337 ! phosphatidic acid +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates + +[Term] +id: CHEBI:29090 +name: D-2-aminohexano-6-lactam +is_a: CHEBI:19471 ! 2-aminohexano-6-lactam + +[Term] +id: CHEBI:29091 +name: nocardicin E +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:25572 ! nocardicin + +[Term] +id: CHEBI:29094 +name: homoisocitric acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:29101 +name: sodium(1+) +is_a: CHEBI:25414 ! monoatomic monocation +is_a: CHEBI:33504 ! alkali metal cation +is_a: CHEBI:37246 ! elemental sodium +is_a: CHEBI:60242 ! monovalent inorganic cation +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29103 +name: potassium(1+) +is_a: CHEBI:25414 ! monoatomic monocation +is_a: CHEBI:33504 ! alkali metal cation +is_a: CHEBI:37247 ! elemental potassium +is_a: CHEBI:60242 ! monovalent inorganic cation +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29105 +name: zinc(2+) +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation +is_a: CHEBI:63056 ! zinc cation +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29107 +name: 24-methylidenelophenol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:29108 +name: calcium(2+) +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:39123 ! calcium cation +is_a: CHEBI:60240 ! divalent metal cation +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29109 +name: (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol +is_a: CHEBI:25392 ! naphthols + +[Term] +id: CHEBI:29110 +name: (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one +is_a: CHEBI:25479 ! naphthalenone + +[Term] +id: CHEBI:29111 +name: alpha-D-GlcpNAc-(1->2)-[alpha-D-Manp-(1->3)]-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59268 ! amino pentasaccharide +is_a: CHEBI:71288 ! (1->3)-alpha-D-mannooligosaccharide derivative + +[Term] +id: CHEBI:29112 +name: 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate +is_a: CHEBI:23638 ! deoxyribulose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:29114 +name: 2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:38340 ! hydroxypyrimidine + +[Term] +id: CHEBI:29118 +name: methanophenazine +is_a: CHEBI:39201 ! phenazines + +[Term] +id: CHEBI:29119 +name: (2E,4Z)-deca-2,4-dienoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +is_a: CHEBI:85555 ! (2E,4Z)-dienoyl-CoA + +[Term] +id: CHEBI:29123 +name: 2-acetamido-5-oxopentanoate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29125 +name: arsenate(3-) +is_a: CHEBI:22629 ! arsenate ion + +[Term] +id: CHEBI:29126 +name: trans-dec-3-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:27700 ! trans-3-enoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:29136 +name: pyridine N-oxide +is_a: CHEBI:38189 ! pyridine N-oxides +relationship: has_role CHEBI:49103 ! drug metabolite + +[Term] +id: CHEBI:29192 +name: hydrogenperoxide(1-) +is_a: CHEBI:33693 ! oxygen hydride + +[Term] +id: CHEBI:29195 +name: cyanate +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:36828 ! pseudohalide anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29198 +name: phosphinate +is_a: CHEBI:33461 ! phosphorus oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:29200 +name: thiocyanic acid +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:33405 ! hydracid +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:29202 +name: isocyanic acid +is_a: CHEBI:33405 ! hydracid +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:29210 +name: trithionic acid +is_a: CHEBI:33402 ! sulfur oxoacid + +[Term] +id: CHEBI:29213 +name: sulfinic acid +is_a: CHEBI:33402 ! sulfur oxoacid + +[Term] +id: CHEBI:29214 +name: sulfonic acid +is_a: CHEBI:33402 ! sulfur oxoacid + +[Term] +id: CHEBI:29216 +name: 3-hydroxy-2-methylquinolin-4(1H)-one +is_a: CHEBI:23765 ! quinolone + +[Term] +id: CHEBI:29219 +name: chlorous acid +is_a: CHEBI:33426 ! chlorine oxoacid + +[Term] +id: CHEBI:29222 +name: hypochlorite +is_a: CHEBI:33437 ! chlorine oxoanion +is_a: CHEBI:37750 ! chlorine oxide +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:29228 +name: hydrogen fluoride +is_a: CHEBI:18140 ! hydrogen halide +is_a: CHEBI:37176 ! mononuclear parent hydride + +[Term] +id: CHEBI:29241 +name: silicate(4-) +is_a: CHEBI:48123 ! silicate ion + +[Term] +id: CHEBI:29242 +name: arsenite(1-) +is_a: CHEBI:22633 ! arsenite ion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:29243 +name: arsenite(2-) +is_a: CHEBI:22633 ! arsenite ion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:29254 +name: dihydrogenborate +is_a: CHEBI:22909 ! borate ion + +[Term] +id: CHEBI:29255 +name: hydrogenborate +is_a: CHEBI:22909 ! borate ion + +[Term] +id: CHEBI:29256 +name: thiol +is_a: CHEBI:33261 ! organosulfur compound +relationship: has_part CHEBI:29917 ! thiol group + +[Term] +id: CHEBI:29258 +name: dihydrogenphosphite +is_a: CHEBI:26045 ! phosphite ion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:29259 +name: hydrogenphosphite +is_a: CHEBI:26045 ! phosphite ion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:29264 +name: tRNA(Sec) +is_a: CHEBI:17843 ! transfer RNA + +[Term] +id: CHEBI:29277 +name: dinitride(2-) +is_a: CHEBI:33266 ! diatomic nitrogen + +[Term] +id: CHEBI:29278 +name: dinitride(4-) +is_a: CHEBI:33266 ! diatomic nitrogen + +[Term] +id: CHEBI:29279 +name: sulfurothioic O-acid +is_a: CHEBI:33540 ! thiosulfuric acid + +[Term] +id: CHEBI:29281 +name: alkyl sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:26819 ! sulfuric ester + +[Term] +id: CHEBI:29287 +name: gold atom +is_a: CHEBI:33366 ! copper group element atom + +[Term] +id: CHEBI:29289 +name: S-alkyl thiosulfate +is_a: CHEBI:37996 ! organic thiosulfate + +[Term] +id: CHEBI:29317 +name: selanide +is_a: CHEBI:36903 ! selenium hydride + +[Term] +id: CHEBI:29323 +name: methylazoxymethanol +is_a: CHEBI:37390 ! azoxy compound + +[Term] +id: CHEBI:29337 +name: azanide +is_a: CHEBI:35106 ! nitrogen hydride +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:29340 +name: hydridonitrate(2-) +is_a: CHEBI:35106 ! nitrogen hydride +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:29347 +name: monocarboxylic acid amide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:29348 +name: fatty amide +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:61697 ! fatty acid derivative + +[Term] +id: CHEBI:29360 +name: methanediide +is_a: CHEBI:38222 ! hydrocarbyl anion + +[Term] +id: CHEBI:29369 +name: peroxy group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:2937 +name: avenacoside A +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:63571 ! trisaccharide derivative +is_a: CHEBI:70994 ! hexacyclic triterpenoid +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:2938 +name: avenacoside B +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:63567 ! tetrasaccharide derivative +is_a: CHEBI:70994 ! hexacyclic triterpenoid +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29396 +name: disulfide(2-) +is_a: CHEBI:33412 ! diatomic sulfur + +[Term] +id: CHEBI:29412 +name: oxonium +is_a: CHEBI:33693 ! oxygen hydride +is_a: CHEBI:50313 ! onium cation + +[Term] +id: CHEBI:29438 +name: methanide +is_a: CHEBI:38222 ! hydrocarbyl anion + +[Term] +id: CHEBI:29449 +name: hydrogen azide +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:29457 +name: (5Z,7E,9E,14Z,17Z)-icosapentaenoic acid +is_a: CHEBI:36006 ! icosapentaenoic acid + +[Term] +id: CHEBI:29461 +name: 10-deoxymethynolide +is_a: CHEBI:25106 ! macrolide +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29472 +name: 2-heptyl-3-hydroxy-4-quinolone +is_a: CHEBI:23765 ! quinolone +relationship: has_role CHEBI:62488 ! signalling molecule + +[Term] +id: CHEBI:29474 +name: (S)-3,5-dihydroxyphenylglycine +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:29476 +name: 3-amino-4-hydroxybenzoic acid +is_a: CHEBI:22495 ! aminobenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid + +[Term] +id: CHEBI:29484 +name: (S)-4,5-dihydroxypentane-2,3-dione +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:51869 ! alpha-diketone +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:29491 +name: 5-O-beta-D-mycaminosyltylactone +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29505 +name: A47934 +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37407 ! cyclic ether +is_a: CHEBI:37919 ! aryl sulfate +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:29507 +name: 3-amino-5-hydroxybenzoic acid +is_a: CHEBI:22495 ! aminobenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid + +[Term] +id: CHEBI:29509 +name: abietal +is_a: CHEBI:36762 ! abietane diterpenoid + +[Term] +id: CHEBI:29510 +name: abietol +is_a: CHEBI:36762 ! abietane diterpenoid + +[Term] +id: CHEBI:29514 +name: 5-amino-5-deoxy-3-dehydroshikimic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:33707 ! gamma-amino acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:29519 +name: aphidicolan-16beta-ol +is_a: CHEBI:52557 ! tetracyclic diterpenoid + +[Term] +id: CHEBI:29556 +name: chloroeremomycin +is_a: CHEBI:24396 ! glycopeptide +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:29571 +name: dehydroabietic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50904 ! allergen + +[Term] +id: CHEBI:29572 +name: demethyllactenocin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:29579 +name: epothilone D +is_a: CHEBI:60831 ! epothilone +relationship: has_role CHEBI:61950 ! microtubule-stabilising agent + +[Term] +id: CHEBI:29593 +name: gibberellin A34 +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid + +[Term] +id: CHEBI:295975 +name: choline phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29605 +name: gibberellin A9 +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29613 +name: 3-O-(alpha-L-oleandrosyl)oleandolide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29614 +name: 3-O-(alpha-L-olivosyl)oleandolide +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29616 +name: abieta-8(14),12-diene +is_a: CHEBI:50072 ! abietadiene + +[Term] +id: CHEBI:29630 +name: methymycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:29649 +name: narbomycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:29650 +name: narbonolide +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29651 +name: neoabietadiene +is_a: CHEBI:50072 ! abietadiene + +[Term] +id: CHEBI:29656 +name: neomethymycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:29658 +name: oleandolide +is_a: CHEBI:25106 ! macrolide + +[Term] +id: CHEBI:29665 +name: pikromycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:29669 +name: pyochelin +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35622 ! thiazolidines +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:26672 ! siderophore + +[Term] +id: CHEBI:29673 +name: rifamycin SV +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:26580 ! rifamycins +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:51026 ! macrocycle +is_a: CHEBI:59779 ! cyclic ketal +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:29678 +name: sodium arsenite +is_a: CHEBI:22632 ! arsenic molecular entity +is_a: CHEBI:38702 ! inorganic sodium salt +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:24852 ! insecticide +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:33288 ! rodenticide +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:50903 ! carcinogenic agent + +[Term] +id: CHEBI:29699 +name: tunicamycin +is_a: CHEBI:60004 ! mixture +relationship: has_part CHEBI:64228 ! tunicamycin A0 +relationship: has_part CHEBI:64245 ! tunicamycin A1 +relationship: has_part CHEBI:64246 ! tunicamycin A2 +relationship: has_part CHEBI:64248 ! tunicamycin B1 +relationship: has_part CHEBI:64250 ! tunicamycin B2 +relationship: has_part CHEBI:64255 ! tunicamycin B3 +relationship: has_part CHEBI:64256 ! tunicamycin C1 +relationship: has_part CHEBI:64257 ! tunicamycin C2 +relationship: has_part CHEBI:64271 ! tunicamycin D1 +relationship: has_part CHEBI:64272 ! tunicamycin D2 +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:64237 ! EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor + +[Term] +id: CHEBI:29700 +name: tylactone +is_a: CHEBI:23824 ! diol +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29701 +name: tyrocidine A +is_a: CHEBI:24613 ! homodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:51026 ! macrocycle +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:29703 +name: validamycin A +is_a: CHEBI:26191 ! polyol +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:83745 ! validamycins +is_a: CHEBI:87114 ! antibiotic fungicide +relationship: has_role CHEBI:83757 ! EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor +relationship: has_role CHEBI:83760 ! EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor +relationship: has_role CHEBI:83762 ! EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:29704 +name: valiolone +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36132 ! alicyclic ketone + +[Term] +id: CHEBI:29706 +name: 10-deoxymethymycin +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:29726 +name: dTDP-6-deoxy-alpha-D-allose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:29728 +name: dTDP-alpha-D-mycaminose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:29739 +name: 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate +is_a: CHEBI:23375 ! copalyl diphosphate + +[Term] +id: CHEBI:29743 +name: 3-oxododecanoate +is_a: CHEBI:133292 ! 3-oxo fatty acid anion + +[Term] +id: CHEBI:29744 +name: lithocholate +is_a: CHEBI:131878 ! cholanic acid anion +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29745 +name: barbiturate +is_a: CHEBI:22691 ! barbiturate anion + +[Term] +id: CHEBI:29746 +name: glycocholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:57670 ! N-acylglycinate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29747 +name: cholate +is_a: CHEBI:131878 ! cholanic acid anion +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29748 +name: chorismate(2-) +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:29749 +name: ferulate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:29750 +name: 3-(indol-3-yl)pyruvic acid +is_a: CHEBI:24810 ! indol-3-yl carboxylic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29751 +name: (-)-quinate +is_a: CHEBI:26490 ! quinate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29753 +name: arsonite(2-) +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:29754 +name: arsonate(2-) +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:29772 +name: hydroxyazanide +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:29773 +name: aminooxidanide +is_a: CHEBI:33458 ! nitrogen oxoanion + +[Term] +id: CHEBI:29775 +name: selenol group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:29780 +name: isochorismate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:29785 +name: nitro group +is_a: CHEBI:33246 ! inorganic group +is_a: CHEBI:51144 ! nitrogen group + +[Term] +id: CHEBI:2979 +name: baicalein +is_a: CHEBI:27116 ! trihydroxyflavone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:49020 ! hormone antagonist +relationship: has_role CHEBI:49023 ! prostaglandin antagonist +relationship: has_role CHEBI:64995 ! EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor +relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29792 +name: hydroperoxy group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:29793 +name: hydridodioxygen(1+) +is_a: CHEBI:33693 ! oxygen hydride + +[Term] +id: CHEBI:29805 +name: glycolate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:29806 +name: fumarate(2-) +is_a: CHEBI:36180 ! butenedioate +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29807 +name: glycyrrhizinate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:2981 +name: baicalin +is_a: CHEBI:24302 ! glucosiduronic acid +is_a: CHEBI:38686 ! dihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:29840 +name: arsinic acid +is_a: CHEBI:33407 ! arsenic oxoacid + +[Term] +id: CHEBI:29846 +name: arsinate +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:29847 +name: arsonous acid +is_a: CHEBI:50017 ! arsonous acids + +[Term] +id: CHEBI:29850 +name: arsonic acid +is_a: CHEBI:50955 ! arsonic acids + +[Term] +id: CHEBI:29852 +name: methylarsonic acid +is_a: CHEBI:22638 ! organoarsonic acid +is_a: CHEBI:50955 ! arsonic acids +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:29864 +name: mannitol +is_a: CHEBI:24583 ! hexitol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29866 +name: arsenite(3-) +is_a: CHEBI:22633 ! arsenite ion +is_a: CHEBI:79387 ! trivalent inorganic anion + +[Term] +id: CHEBI:29888 +name: diphosphoric acid +is_a: CHEBI:33457 ! phosphorus oxoacid +is_a: CHEBI:37786 ! acyclic phosphorus acid anhydride +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:29917 +name: thiol group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:29919 +name: hydrosulfide +is_a: CHEBI:33535 ! sulfur hydride +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29920 +name: phosphoramidate +is_a: CHEBI:26079 ! phosphoric acid derivative + +[Term] +id: CHEBI:29922 +name: sulfo group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:29924 +name: hydrogenselenite +is_a: CHEBI:33488 ! selenium oxoanion + +[Term] +id: CHEBI:29934 +name: (1s,4s)-prephenate(2-) +is_a: CHEBI:57852 ! prephenate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:29947 +name: glycine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue + +[Term] +id: CHEBI:29950 +name: L-cysteine residue +is_a: CHEBI:32460 ! cysteine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:29951 +name: D-cysteine residue +is_a: CHEBI:32460 ! cysteine residue + +[Term] +id: CHEBI:29952 +name: L-arginine residue +is_a: CHEBI:32700 ! arginine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:29953 +name: D-arginine residue +is_a: CHEBI:32700 ! arginine residue + +[Term] +id: CHEBI:29958 +name: L-aspartic acid residue +is_a: CHEBI:32470 ! aspartic acid residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:29959 +name: quinolinate(2-) +is_a: CHEBI:132942 ! quinolinate +is_a: CHEBI:36173 ! pyridinedicarboxylate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29961 +name: L-aspartate residue +is_a: CHEBI:32471 ! aspartate residue +is_a: CHEBI:33726 ! proteinogenic amino-acid residue anion + +[Term] +id: CHEBI:29962 +name: D-aspartate residue +is_a: CHEBI:32471 ! aspartate residue + +[Term] +id: CHEBI:29963 +name: D-cysteinate residue +is_a: CHEBI:32461 ! cysteinate residue + +[Term] +id: CHEBI:29964 +name: L-cysteinate residue +is_a: CHEBI:32461 ! cysteinate residue +is_a: CHEBI:33726 ! proteinogenic amino-acid residue anion + +[Term] +id: CHEBI:29965 +name: L-argininium residue +is_a: CHEBI:32699 ! argininium residue +is_a: CHEBI:33727 ! proteinogenic amino-acid residue cation + +[Term] +id: CHEBI:29966 +name: D-argininium residue +is_a: CHEBI:32699 ! argininium residue + +[Term] +id: CHEBI:29967 +name: L-lysine residue +is_a: CHEBI:32568 ! lysine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:29968 +name: D-lysine residue +is_a: CHEBI:32568 ! lysine residue + +[Term] +id: CHEBI:29969 +name: L-lysinium residue +is_a: CHEBI:32579 ! lysinium residue +is_a: CHEBI:33727 ! proteinogenic amino-acid residue cation + +[Term] +id: CHEBI:29970 +name: D-lysinium residue +is_a: CHEBI:32579 ! lysinium residue + +[Term] +id: CHEBI:29972 +name: L-glutamic acid residue +is_a: CHEBI:32483 ! glutamic acid residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:29973 +name: L-glutamate residue +is_a: CHEBI:32484 ! glutamate residue +is_a: CHEBI:33726 ! proteinogenic amino-acid residue anion + +[Term] +id: CHEBI:29974 +name: D-glutamate residue +is_a: CHEBI:32484 ! glutamate residue + +[Term] +id: CHEBI:29976 +name: D-tyrosine residue +is_a: CHEBI:32789 ! tyrosine residue + +[Term] +id: CHEBI:29979 +name: L-histidine residue +is_a: CHEBI:32535 ! histidine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:29980 +name: D-histidine residue +is_a: CHEBI:32535 ! histidine residue + +[Term] +id: CHEBI:29981 +name: D-histidinium residue +is_a: CHEBI:32536 ! histidinium residue + +[Term] +id: CHEBI:29982 +name: L-histidinium residue +is_a: CHEBI:32536 ! histidinium residue +is_a: CHEBI:33727 ! proteinogenic amino-acid residue cation + +[Term] +id: CHEBI:29984 +name: D-methionine residue +is_a: CHEBI:32648 ! methionine residue + +[Term] +id: CHEBI:29985 +name: L-glutamate(1-) +is_a: CHEBI:14321 ! glutamate(1-) +is_a: CHEBI:62031 ! polar amino acid zwitterion +relationship: has_role CHEBI:24319 ! EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:29986 +name: D-glutamate(1-) +is_a: CHEBI:14321 ! glutamate(1-) + +[Term] +id: CHEBI:29987 +name: glutamate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:29988 +name: L-glutamate(2-) +is_a: CHEBI:29987 ! glutamate(2-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:29989 +name: D-glutamate(2-) +is_a: CHEBI:29987 ! glutamate(2-) + +[Term] +id: CHEBI:29990 +name: D-aspartate(1-) +is_a: CHEBI:35391 ! aspartate(1-) +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:29991 +name: L-aspartate(1-) +is_a: CHEBI:35391 ! aspartate(1-) +is_a: CHEBI:62031 ! polar amino acid zwitterion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:29993 +name: L-aspartate(2-) +is_a: CHEBI:29995 ! aspartate(2-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:29994 +name: D-aspartate(2-) +is_a: CHEBI:29995 ! aspartate(2-) + +[Term] +id: CHEBI:29995 +name: aspartate(2-) +is_a: CHEBI:132943 ! aspartate +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:29998 +name: D-serine residue +is_a: CHEBI:32848 ! serine residue + +[Term] +id: CHEBI:29999 +name: L-serine residue +is_a: CHEBI:32848 ! serine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:300 +name: (R)-(+)-alpha-terpineol +is_a: CHEBI:22469 ! alpha-terpineol + +[Term] +id: CHEBI:30001 +name: D-selenocysteine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:9093 ! selenocysteine + +[Term] +id: CHEBI:30011 +name: L-glutamine residue +is_a: CHEBI:32677 ! glutamine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:30013 +name: L-threonine residue +is_a: CHEBI:32835 ! threonine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:30014 +name: D-threonine residue +is_a: CHEBI:32835 ! threonine residue + +[Term] +id: CHEBI:30018 +name: D-proline residue +is_a: CHEBI:32874 ! proline residue + +[Term] +id: CHEBI:30021 +name: L-selenomethionine +is_a: CHEBI:27585 ! selenomethionine + +[Term] +id: CHEBI:30022 +name: D-selenomethionine +is_a: CHEBI:27585 ! selenomethionine + +[Term] +id: CHEBI:30023 +name: trans-sinapate +is_a: CHEBI:36091 ! cinnamates +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30031 +name: succinate(2-) +is_a: CHEBI:26806 ! succinate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30033 +name: bacteriochlorophyll a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38201 ! bacteriochlorophyll + +[Term] +id: CHEBI:30037 +name: taxa-4,11-diene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:30038 +name: taxa-4(20),11-dien-5alpha-ol +is_a: CHEBI:50367 ! taxane diterpenoid + +[Term] +id: CHEBI:30041 +name: taxa-4(20),11-dien-5alpha,13alpha-diol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:50367 ! taxane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:30042 +name: taxa-4(20),11-dien-5alpha-yl acetate +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50367 ! taxane diterpenoid + +[Term] +id: CHEBI:30043 +name: terephthalate(2-) +is_a: CHEBI:26092 ! phthalate + +[Term] +id: CHEBI:30049 +name: teichoic acid +is_a: CHEBI:65212 ! polysaccharide derivative + +[Term] +id: CHEBI:30065 +name: thioglycolic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid + +[Term] +id: CHEBI:30066 +name: thioglycolate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:30087 +name: guanidinium +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:30088 +name: gibberellin A12 +is_a: CHEBI:20859 ! C20-gibberellin +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:30089 +name: acetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30095 +name: hydrazinide +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30096 +name: diazene +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30099 +name: diazynediium +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30100 +name: hydrazine-1,2-diide +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30101 +name: hydrazine-1,1-diide +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30102 +name: diazynium +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30103 +name: diazenide +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30104 +name: diazanetriide +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:30106 +name: azo group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:30109 +name: 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol +is_a: CHEBI:138031 ! Delta(14) steroid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:3015 +name: benomyl +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:62733 ! aromatic amide +is_a: CHEBI:87036 ! benzimidazole fungicide +is_a: CHEBI:87064 ! benzimidazolylcarbamate fungicide +relationship: has_role CHEBI:22153 ! acaricide +relationship: has_role CHEBI:35443 ! anthelminthic drug +relationship: has_role CHEBI:60832 ! tubulin modulator +relationship: has_role CHEBI:61951 ! microtubule-destabilising agent +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:30154 +name: 5beta-pregnane-3,20-dione +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30156 +name: 6,7-dihydropteridine +is_a: CHEBI:13614 ! 6,7-dihydropteridines + +[Term] +id: CHEBI:30164 +name: 5-diphospho-1D-myo-inositol pentakisphosphate +is_a: CHEBI:25447 ! myo-inositol pentakisphosphate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30200 +name: kaempferol 3-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:64634 ! kaempferol O-glucoside +relationship: has_role CHEBI:36335 ! trypanocidal drug +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30212 +name: photon +is_a: CHEBI:36341 ! boson + +[Term] +id: CHEBI:30232 +name: abieta-7,13-diene +is_a: CHEBI:50072 ! abietadiene + +[Term] +id: CHEBI:30245 +name: linoleate +is_a: CHEBI:25626 ! octadecadienoate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:30248 +name: beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59412 ! amino tetrasaccharide + +[Term] +id: CHEBI:30249 +name: N-formyl-L-kynurenine +is_a: CHEBI:18377 ! N-formylkynurenine +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30256 +name: thiocarbonyl group +is_a: CHEBI:51422 ! organodiyl group + +[Term] +id: CHEBI:30260 +name: cyromazine +is_a: CHEBI:38175 ! triamino-1,3,5-triazine +relationship: has_role CHEBI:38060 ! triazine insecticide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:30297 +name: antimonite +is_a: CHEBI:36921 ! antimony oxoanion +is_a: CHEBI:79387 ! trivalent inorganic anion + +[Term] +id: CHEBI:30305 +name: N-methylanthraniloyl-CoA +is_a: CHEBI:61940 ! aroyl-CoA + +[Term] +id: CHEBI:30306 +name: 1,3-dihydroxy-N-methylacridone +is_a: CHEBI:22213 ! acridines + +[Term] +id: CHEBI:30308 +name: meso-2,6-diaminopimelate(2-) +is_a: CHEBI:23671 ! 2,6-diaminopimelate(2-) + +[Term] +id: CHEBI:30313 +name: lipoate +is_a: CHEBI:59848 ! thia fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30314 +name: (R)-lipoic acid +is_a: CHEBI:16494 ! lipoic acid +is_a: CHEBI:39192 ! dithiolanes +is_a: CHEBI:48847 ! heterocyclic fatty acid +is_a: CHEBI:59643 ! thia fatty acid +relationship: has_role CHEBI:26348 ! prosthetic group +relationship: has_role CHEBI:50733 ! nutraceutical + +[Term] +id: CHEBI:30316 +name: dihydrolipoate +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:59914 ! thio fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30318 +name: (S)-dihydrolipoic acid +is_a: CHEBI:18047 ! dihydrolipoic acid + +[Term] +id: CHEBI:30320 +name: thioacetate +is_a: CHEBI:35367 ! thiocarboxylic acid anion + +[Term] +id: CHEBI:30322 +name: 3-acetamidopropanal +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde + +[Term] +id: CHEBI:30347 +name: ethylenediamine +is_a: CHEBI:35411 ! alkane-alpha,omega-diamine +relationship: has_role CHEBI:51373 ! GABA agonist + +[Term] +id: CHEBI:30353 +name: isopropyl group +is_a: CHEBI:22323 ! alkyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:30356 +name: isobutyl group +is_a: CHEBI:22323 ! alkyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:30362 +name: isopentane +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:30363 +name: isobutane +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:78017 ! food propellant +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:30366 +name: imidazolide +is_a: CHEBI:50335 ! organic nitrogen anion + +[Term] +id: CHEBI:30367 +name: pyrazol-1-ide +is_a: CHEBI:38596 ! pyrazolide + +[Term] +id: CHEBI:30395 +name: acetylacetonate +is_a: CHEBI:46640 ! diketone + +[Term] +id: CHEBI:30407 +name: 4-phospho-L-aspartate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:30408 +name: iron-sulfur cluster +is_a: CHEBI:25214 ! metal-sulfur cluster +is_a: CHEBI:33892 ! iron coordination entity + +[Term] +id: CHEBI:30409 +name: iron-sulfur-molybdenum cofactor +is_a: CHEBI:35202 ! molybdenum coordination entity +relationship: has_part CHEBI:48796 ! iron-sulfur-molybdenum cluster +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:30411 +name: cobalamin +is_a: CHEBI:23334 ! cobalamins +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:26348 ! prosthetic group +relationship: has_role CHEBI:75769 ! B vitamin + +[Term] +id: CHEBI:30412 +name: monoatomic dication +is_a: CHEBI:23906 ! monoatomic cation + +[Term] +id: CHEBI:30413 +name: heme +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:33892 ! iron coordination entity +is_a: CHEBI:33909 ! metallotetrapyrrole +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:26348 ! prosthetic group + +[Term] +id: CHEBI:30436 +name: tetrahydropterin +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:30449 +name: validamine +is_a: CHEBI:61689 ! amino cyclitol + +[Term] +id: CHEBI:30452 +name: tellurium atom +is_a: CHEBI:137980 ! metalloid atom +is_a: CHEBI:33303 ! chalcogen + +[Term] +id: CHEBI:30465 +name: tellurous acid +is_a: CHEBI:33519 ! tellurium oxoacid + +[Term] +id: CHEBI:30477 +name: tellurite +is_a: CHEBI:33520 ! tellurium oxoanion + +[Term] +id: CHEBI:30485 +name: selenonium +is_a: CHEBI:36903 ! selenium hydride +is_a: CHEBI:50313 ! onium cation + +[Term] +id: CHEBI:30488 +name: sulfonium +is_a: CHEBI:26830 ! sulfonium compound +is_a: CHEBI:33535 ! sulfur hydride +is_a: CHEBI:50313 ! onium cation + +[Term] +id: CHEBI:30512 +name: silver atom +is_a: CHEBI:33366 ! copper group element atom + +[Term] +id: CHEBI:30513 +name: antimony atom +is_a: CHEBI:137980 ! metalloid atom +is_a: CHEBI:33300 ! pnictogen + +[Term] +id: CHEBI:30514 +name: caesium atom +is_a: CHEBI:22314 ! alkali metal atom + +[Term] +id: CHEBI:30526 +name: 1-aminocyclopropanecarboxylate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:30527 +name: flavin +is_a: CHEBI:38925 ! benzopteridine + +[Term] +id: CHEBI:30528 +name: vanadium oxoanion +is_a: CHEBI:35166 ! vanadium coordination entity +is_a: CHEBI:35405 ! transition element oxoanion + +[Term] +id: CHEBI:30531 +name: pimelic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:30563 +name: silicon dioxide +is_a: CHEBI:33327 ! silicon oxide + +[Term] +id: CHEBI:30566 +name: gamma-aminobutyrate +is_a: CHEBI:71666 ! gamma-amino acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:305790 +name: thyroxine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:30584 +name: silicon(4+) +is_a: CHEBI:26937 ! monoatomic tetracation +is_a: CHEBI:37763 ! elemental silicon + +[Term] +id: CHEBI:30604 +name: disulfanide +is_a: CHEBI:33535 ! sulfur hydride + +[Term] +id: CHEBI:30605 +name: disulfanyl group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:30612 +name: D-glucarate(2-) +is_a: CHEBI:30613 ! glucarate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30613 +name: glucarate(2-) +is_a: CHEBI:48914 ! glucaric acid anion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30616 +name: ATP(4-) +is_a: CHEBI:61557 ! nucleoside triphosphate(4-) +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30617 +name: MgATP(2-) +is_a: CHEBI:33976 ! magnesium coordination entity + +[Term] +id: CHEBI:30619 +name: 2,4-divinyl protochlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26354 ! protochlorophyllides +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:30620 +name: (S)-2,3-dihydrodipicolinate(2-) +is_a: CHEBI:11421 ! 2,3-dihydrodipicolinate(2-) + +[Term] +id: CHEBI:30623 +name: oxalate(2-) +is_a: CHEBI:132952 ! oxalate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30624 +name: D-mannuronate +is_a: CHEBI:33821 ! mannuronate + +[Term] +id: CHEBI:30632 +name: loganic acid +is_a: CHEBI:24278 ! glucoside +is_a: CHEBI:38606 ! cyclopentapyran +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30633 +name: L-pipecolate +is_a: CHEBI:36110 ! pipecolate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30653 +name: homoserine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:30654 +name: D-homoserine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:30653 ! homoserine + +[Term] +id: CHEBI:30655 +name: L-homoserine lactone +is_a: CHEBI:17289 ! homoserine lactone + +[Term] +id: CHEBI:30657 +name: D-homoserine lactone +is_a: CHEBI:17289 ! homoserine lactone + +[Term] +id: CHEBI:30659 +name: D-thyroxine +is_a: CHEBI:30660 ! thyroxine +is_a: CHEBI:84124 ! D-tyrosine derivative + +[Term] +id: CHEBI:30660 +name: thyroxine +is_a: CHEBI:24863 ! iodophenol +is_a: CHEBI:24864 ! iodothyronine +is_a: CHEBI:53291 ! 2-halophenol +is_a: CHEBI:62761 ! tyrosine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:52290 ! mitogen + +[Term] +id: CHEBI:30661 +name: thyronine +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:62761 ! tyrosine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:30684 +name: alpha-D-glucosyl group +is_a: CHEBI:24280 ! D-glucosyl group + +[Term] +id: CHEBI:30719 +name: citraconate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:30742 +name: ethylene glycol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:23976 ! ethanediol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:30744 +name: oxaloacetic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:30745 +name: phenylacetic acid +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:22676 ! auxin +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:35219 ! plant growth retardant +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76956 ! Aspergillus metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:90318 ! EC 6.4.1.1 (pyruvate carboxylase) inhibitor + +[Term] +id: CHEBI:30746 +name: benzoic acid +is_a: CHEBI:22723 ! benzoic acids +relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor +relationship: has_role CHEBI:65001 ! EC 3.1.1.3 (triacylglycerol lipase) inhibitor +relationship: has_role CHEBI:65256 ! antimicrobial food preservative +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84735 ! algal metabolite +relationship: has_role CHEBI:88188 ! drug allergen + +[Term] +id: CHEBI:30747 +name: 4-chlorobenzoic acid +is_a: CHEBI:51967 ! monochlorobenzoic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:30748 +name: 2,4-dichlorobenzoic acid +is_a: CHEBI:23134 ! chlorobenzoic acid +is_a: CHEBI:23697 ! dichlorobenzene +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:30749 +name: 4-chlorophenylacetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:30751 +name: formic acid +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:48356 ! protic solvent +relationship: has_role CHEBI:74783 ! astringent + +[Term] +id: CHEBI:30753 +name: 4-aminobenzoic acid +is_a: CHEBI:22495 ! aminobenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:30754 +name: anthranilic acid +is_a: CHEBI:22495 ! aminobenzoic acid +relationship: has_role CHEBI:27314 ! water-soluble vitamin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30762 +name: salicylate +is_a: CHEBI:25388 ! monohydroxybenzoate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30763 +name: 4-hydroxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:30764 +name: 3-hydroxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:30765 +name: tropic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:30766 +name: (S)-tropic acid +is_a: CHEBI:30765 ! tropic acid + +[Term] +id: CHEBI:30767 +name: (R)-tropic acid +is_a: CHEBI:30765 ! tropic acid + +[Term] +id: CHEBI:30768 +name: propionic acid +is_a: CHEBI:26607 ! saturated fatty acid +is_a: CHEBI:26666 ! short-chain fatty acid +relationship: has_role CHEBI:86327 ! antifungal drug + +[Term] +id: CHEBI:30769 +name: citric acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:64049 ! food acidity regulator +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30772 +name: butyric acid +is_a: CHEBI:140601 ! fatty acid 4:0 +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:30775 +name: fluoroacetic acid +is_a: CHEBI:16277 ! haloacetic acid +is_a: CHEBI:37143 ! organofluorine compound +relationship: has_role CHEBI:62608 ! EC 4.2.1.3 (aconitate hydratase) inhibitor + +[Term] +id: CHEBI:30776 +name: hexanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30778 +name: gallic acid +is_a: CHEBI:27115 ! trihydroxybenzoic acid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor +relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:74783 ! astringent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:30779 +name: succinate(1-) +is_a: CHEBI:26806 ! succinate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30780 +name: maleate(2-) +is_a: CHEBI:132951 ! maleate +is_a: CHEBI:36180 ! butenedioate +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30781 +name: butynedioic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:30782 +name: acetylenedicarboxylate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:30789 +name: 4-sulfobenzoic acid +is_a: CHEBI:26825 ! sulfobenzoic acid + +[Term] +id: CHEBI:30793 +name: 2-chlorobenzoic acid +is_a: CHEBI:51967 ! monochlorobenzoic acid +is_a: CHEBI:70862 ! 2-halobenzoic acid +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30794 +name: malonic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30795 +name: malonate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:30796 +name: (R)-malic acid +is_a: CHEBI:6650 ! malic acid + +[Term] +id: CHEBI:30797 +name: (S)-malic acid +is_a: CHEBI:6650 ! malic acid + +[Term] +id: CHEBI:30800 +name: phthalate(1-) +is_a: CHEBI:26092 ! phthalate +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:30801 +name: terephthalate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:30805 +name: dodecanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:30807 +name: tetradecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:76619 ! omega-methyl fatty acid anion +is_a: CHEBI:76928 ! 2,3-saturated fatty acid(1-) +is_a: CHEBI:78121 ! fatty acid anion 14:0 +is_a: CHEBI:83955 ! 2-saturated fatty acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30813 +name: decanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:30814 +name: digallic acid +is_a: CHEBI:36054 ! benzoate ester +is_a: CHEBI:37576 ! gallate ester + +[Term] +id: CHEBI:30816 +name: vanillic acid +is_a: CHEBI:25238 ! methoxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30817 +name: trans-urocanic acid +is_a: CHEBI:27248 ! urocanic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30820 +name: 2-oxooctadecanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:30823 +name: oleate +is_a: CHEBI:132944 ! octadec-9-enoate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:30825 +name: elaidate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:30827 +name: cis-vaccenate(1-) +is_a: CHEBI:50498 ! vaccenate(1-) +is_a: CHEBI:78049 ! octadecenoate + +[Term] +id: CHEBI:30828 +name: trans-vaccenate(1-) +is_a: CHEBI:50498 ! vaccenate(1-) +is_a: CHEBI:78049 ! octadecenoate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30830 +name: 4-hydroxybutyric acid +is_a: CHEBI:24684 ! hydroxybutyric acid +is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid +relationship: has_role CHEBI:35717 ! sedative +relationship: has_role CHEBI:38869 ! general anaesthetic +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:53353 ! GHB receptor agonist + +[Term] +id: CHEBI:30831 +name: 2-oxobutanoic acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:30832 +name: adipic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:64049 ! food acidity regulator +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:30833 +name: adipate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:30835 +name: 2-methylcitric acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:30837 +name: allantoic acid +is_a: CHEBI:47857 ! ureas +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30838 +name: itaconic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30839 +name: orotate +is_a: CHEBI:38316 ! pyrimidinecarboxylate anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30841 +name: 3-hydroxypyruvic acid +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30842 +name: oxomalonic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:30843 +name: oxomalonate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:30844 +name: hydroxymalonate(1-) +is_a: CHEBI:24711 ! hydroxymalonate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:30845 +name: 2-furoic acid +is_a: CHEBI:36055 ! furoic acid +relationship: has_role CHEBI:35222 ! inhibitor +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:30848 +name: urate(1-) +is_a: CHEBI:46818 ! urate anion + +[Term] +id: CHEBI:30849 +name: L-arabinose +is_a: CHEBI:22599 ! arabinose +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:30850 +name: 3-propylmalic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:30851 +name: keto-phenylpyruvic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:75050 ! chromogenic compound +relationship: has_role CHEBI:78675 ! fundamental metabolite +relationship: has_role CHEBI:90318 ! EC 6.4.1.1 (pyruvate carboxylase) inhibitor + +[Term] +id: CHEBI:30852 +name: galactaric acid +is_a: CHEBI:24577 ! hexaric acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30853 +name: glycyrrhetinic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:36130 ! cyclic terpene ketone +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30854 +name: indole-3-acetate +is_a: CHEBI:38468 ! indol-3-yl carboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30859 +name: 3-maleylpyruvic acid +is_a: CHEBI:47940 ! 4,6-dioxohept-2-enedioic acid +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:30860 +name: methylmalonic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30861 +name: methylmalonate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30864 +name: (S)-dihydroorotate +is_a: CHEBI:30867 ! dihydroorotate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30865 +name: dihydroorotic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26447 ! pyrimidinemonocarboxylic acid +is_a: CHEBI:33257 ! secondary amide +is_a: CHEBI:74266 ! N-acylurea + +[Term] +id: CHEBI:30866 +name: (R)-dihydroorotic acid +is_a: CHEBI:30865 ! dihydroorotic acid + +[Term] +id: CHEBI:30867 +name: dihydroorotate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:30879 +name: alcohol +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:30881 +name: xanthine-8-carboxylic acid +is_a: CHEBI:38667 ! purinemonocarboxylic acid + +[Term] +id: CHEBI:30882 +name: 2-oxoglutaramic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:30885 +name: lupinic acid +is_a: CHEBI:22278 ! alanine derivative +is_a: CHEBI:26385 ! purine alkaloid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:30887 +name: isocitric acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30889 +name: L-threo-isocitric acid +is_a: CHEBI:30887 ! isocitric acid + +[Term] +id: CHEBI:30896 +name: L-threo-isocitrate(3-) +is_a: CHEBI:16087 ! isocitrate(3-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30897 +name: L-erythro-isocitrate(3-) +is_a: CHEBI:16087 ! isocitrate(3-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30903 +name: (-)-homoisocitric acid +is_a: CHEBI:29094 ! homoisocitric acid + +[Term] +id: CHEBI:30904 +name: homoisocitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:30907 +name: 4-fumarylacetoacetic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:30909 +name: 1-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64590 ! monoalkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:78193 ! 1-alkylglycero-3-phosphocholine + +[Term] +id: CHEBI:30911 +name: glucitol +is_a: CHEBI:24583 ! hexitol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30912 +name: 1-piperideine-2-carboxylic acid +is_a: CHEBI:26148 ! piperidinemonocarboxylic acid + +[Term] +id: CHEBI:30913 +name: L-pipecolic acid +is_a: CHEBI:17964 ! pipecolic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30915 +name: 2-oxoglutaric acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30916 +name: 2-oxoglutarate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:30918 +name: 3-dehydroshikimic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:30920 +name: 3-hydroxy-3-methylglutarate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30921 +name: glutarate(2-) +is_a: CHEBI:24329 ! glutarate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30923 +name: 4-hydroxy-2-oxoglutaric acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:30924 +name: L-tartrate(2-) +is_a: CHEBI:15193 ! tartrate(2-) + +[Term] +id: CHEBI:30926 +name: 3-oxalomalic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:30927 +name: D-tartrate(2-) +is_a: CHEBI:15193 ! tartrate(2-) + +[Term] +id: CHEBI:30928 +name: meso-tartrate(2-) +is_a: CHEBI:30929 ! 2,3-dihydroxybutanedioate + +[Term] +id: CHEBI:30929 +name: 2,3-dihydroxybutanedioate +is_a: CHEBI:132950 ! tartrate +is_a: CHEBI:61336 ! C4-dicarboxylate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:30933 +name: 3-phosphonooxypyruvic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate + +[Term] +id: CHEBI:30934 +name: D-citramalate(2-) +is_a: CHEBI:13997 ! citramalate(2-) + +[Term] +id: CHEBI:30935 +name: 3-phosphonopyruvic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:30936 +name: L-citramalate(2-) +is_a: CHEBI:13997 ! citramalate(2-) + +[Term] +id: CHEBI:30938 +name: 6-aminopenicillanate +is_a: CHEBI:51356 ! penicillinate anion + +[Term] +id: CHEBI:30939 +name: 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate +is_a: CHEBI:23375 ! copalyl diphosphate + +[Term] +id: CHEBI:30943 +name: tyvelose +is_a: CHEBI:33983 ! deoxymannose + +[Term] +id: CHEBI:30944 +name: ascarylose +is_a: CHEBI:23703 ! dideoxyhexose + +[Term] +id: CHEBI:3095 +name: biguanide +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:30959 +name: 4-pyridoxate +is_a: CHEBI:132948 ! pyridoxate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:30960 +name: 5-pyridoxate +is_a: CHEBI:132948 ! pyridoxate + +[Term] +id: CHEBI:30968 +name: azetidine +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:37949 ! azacycloalkane +is_a: CHEBI:38777 ! azetidines + +[Term] +id: CHEBI:3098 +name: bile acid +is_a: CHEBI:138366 ! bile acids +is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid + +[Term] +id: CHEBI:30984 +name: evernitrose +is_a: CHEBI:63349 ! trideoxyhexose derivative + +[Term] +id: CHEBI:30985 +name: 4,4'-bipyridine +is_a: CHEBI:35545 ! bipyridine + +[Term] +id: CHEBI:31 +name: (+)-menthone +is_a: CHEBI:36503 ! menthone + +[Term] +id: CHEBI:31001 +name: octacosanoic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:31002 +name: octacosanoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78130 ! fatty acid anion 28:0 + +[Term] +id: CHEBI:31003 +name: melissic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid + +[Term] +id: CHEBI:31004 +name: melissate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78131 ! fatty acid anion 30:0 + +[Term] +id: CHEBI:31009 +name: hexacosanoic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid + +[Term] +id: CHEBI:31011 +name: valerate +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:31013 +name: cerotate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76619 ! omega-methyl fatty acid anion +is_a: CHEBI:78129 ! fatty acid anion 26:0 +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:31014 +name: lignocerate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78128 ! fatty acid anion 24:0 +is_a: CHEBI:83955 ! 2-saturated fatty acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:310312 +name: isoliquiritigenin +is_a: CHEBI:23086 ! chalcones +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:50268 ! GABA modulator +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +relationship: has_role CHEBI:60643 ! NMDA receptor antagonist + +[Term] +id: CHEBI:31047 +name: 10-carboxy-13-deoxycarminomycin +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:31056 +name: 13-deoxycarminomycin +is_a: CHEBI:22507 ! aminoglycoside antibiotic +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:31057 +name: 13-deoxydaunorubicin +is_a: CHEBI:22507 ! aminoglycoside antibiotic +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:31058 +name: (13R)-13-dihydrocarminomycin +is_a: CHEBI:22507 ! aminoglycoside antibiotic +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:50912 ! cardiotoxic agent + +[Term] +id: CHEBI:31059 +name: 13-dihydrodaunorubicin +is_a: CHEBI:22507 ! aminoglycoside antibiotic +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:31069 +name: 2,3,5-trichloro-cis,cis-muconic acid +is_a: CHEBI:38448 ! trichloromuconic acid + +[Term] +id: CHEBI:31080 +name: 2-hydroxy-2,3-dihydrogenistein +is_a: CHEBI:72739 ! hydroxyisoflavanone + +[Term] +id: CHEBI:31082 +name: 2-hydroxy-6-oxonona-2,4,7-trienedioic acid +is_a: CHEBI:49264 ! nonatrienedicarboxylic acid + +[Term] +id: CHEBI:31087 +name: 2-phytyl-1,4-naphthoquinone +is_a: CHEBI:26106 ! phylloquinones + +[Term] +id: CHEBI:3110 +name: biotinyl-5'-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:31103 +name: 3,5-dihydroxyphenylacetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:31107 +name: 3-amino-4,7-dihydroxycoumarin +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:31111 +name: 3-dimethylallyl-4-hydroxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:31112 +name: 3-dimethylallyl-4-hydroxymandelic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:31113 +name: 3-dimethylallyl-4-hydroxyphenylpyruvic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:31116 +name: 3-hexaprenyl-4-hydroxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:31121 +name: 4'''-demalonylsalvianin +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:31128 +name: 4-hydroxyphenyl acetate +is_a: CHEBI:140310 ! phenyl acetates +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:31132 +name: 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylic acid +is_a: CHEBI:49052 ! ureidocarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:31144 +name: 8-demethyltetracenomycin C +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:31157 +name: (+)-abscisic aldehyde +is_a: CHEBI:22144 ! abscisic aldehyde + +[Term] +id: CHEBI:31178 +name: aklanonic acid +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:37484 ! dihydroxyanthraquinone + +[Term] +id: CHEBI:31181 +name: aklavinone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:31186 +name: alfacalcidol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:36818 ! seco-cholestane +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:50646 ! bone density conservation agent + +[Term] +id: CHEBI:31334 +name: (E)-caffeyl alcohol +is_a: CHEBI:86071 ! caffeyl alcohol + +[Term] +id: CHEBI:31355 +name: carboplatin +is_a: CHEBI:33862 ! platinum coordination entity +relationship: has_part CHEBI:35690 ! cyclobutane-1,1-dicarboxylate(2-) +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:31359 +name: carminomycin +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:22507 ! aminoglycoside antibiotic +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:68495 ! apoptosis inducer + +[Term] +id: CHEBI:31402 +name: cinnamyl acetate +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:24852 ! insecticide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48318 ! fragrance + +[Term] +id: CHEBI:31432 +name: corynebactin +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:37409 ! crown compound +is_a: CHEBI:63944 ! macrocyclic lactone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:31445 +name: cyclic ADP-ribose +is_a: CHEBI:25609 ! nucleotide-sugar +is_a: CHEBI:36982 ! cyclic purine nucleotide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:67114 ! ryanodine receptor agonist + +[Term] +id: CHEBI:31457 +name: decanal +is_a: CHEBI:12834 ! n-alkanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:31459 +name: 3,7,12-trioxo-5beta-cholanic acid +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid +is_a: CHEBI:47789 ! 7-oxo steroid +is_a: CHEBI:48070 ! 12-oxo steroid +relationship: has_role CHEBI:55324 ! gastrointestinal drug + +[Term] +id: CHEBI:31463 +name: delphinidin 3-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:31467 +name: descarbamoylnovobiocin +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:35313 ! hexoside +is_a: CHEBI:37912 ! hydroxycoumarin +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:31469 +name: desmethyldescarbamoylnovobiocin +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:35313 ! hexoside +is_a: CHEBI:37912 ! hydroxycoumarin +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:31488 +name: N-acylsphinganine +is_a: CHEBI:139048 ! dihydroceramide +is_a: CHEBI:82829 ! sphinganine-based sphingolipid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:31529 +name: ecgonine methyl ester +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:37332 ! tropane alkaloid +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35480 ! analgesic +relationship: has_role CHEBI:35482 ! opioid analgesic +relationship: has_role CHEBI:35488 ! central nervous system depressant +relationship: has_role CHEBI:49110 ! peripheral nervous system drug +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:31549 +name: epothilone A +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:60831 ! epothilone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:60832 ! tubulin modulator +relationship: has_role CHEBI:61950 ! microtubule-stabilising agent + +[Term] +id: CHEBI:31550 +name: epothilone B +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:60831 ! epothilone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:61950 ! microtubule-stabilising agent +relationship: has_role CHEBI:68495 ! apoptosis inducer + +[Term] +id: CHEBI:31577 +name: ethylenediamine derivative +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:3163 +name: bracteatin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38830 ! 1-benzofurans +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:3165 +name: bradykinin +is_a: CHEBI:25676 ! oligopeptide +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:31697 +name: indolin-2-one +is_a: CHEBI:51625 ! indolinone +is_a: CHEBI:74222 ! gamma-lactam + +[Term] +id: CHEBI:31742 +name: kaempferol 3-O-beta-D-galactoside +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:28034 ! beta-D-galactoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:31746 +name: kainic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:46767 ! pyrrolidinecarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84186 ! L-proline derivative +relationship: has_role CHEBI:35444 ! antinematodal drug +relationship: has_role CHEBI:50103 ! excitatory amino acid agonist + +[Term] +id: CHEBI:31748 +name: 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose +is_a: CHEBI:22529 ! amino sugar phosphate + +[Term] +id: CHEBI:31755 +name: L-4-hydroxyphenylglycine +is_a: CHEBI:50418 ! 4-hydroxyphenylglycine + +[Term] +id: CHEBI:31763 +name: laricitrin +is_a: CHEBI:138730 ! 3'-methoxyflavones +is_a: CHEBI:138731 ! 5'-hydroxy-3'-methoxyflavone +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:25883 ! pentahydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:3179 +name: bromobenzene +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:37148 ! bromoarene +is_a: CHEBI:37149 ! bromobenzenes +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:50908 ! hepatotoxic agent +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:31832 +name: methyl salicylate +is_a: CHEBI:26596 ! salicylates +is_a: CHEBI:36054 ! benzoate ester +relationship: has_role CHEBI:24850 ! insect attractant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35617 ! flavouring agent + +[Term] +id: CHEBI:31883 +name: N-oleoyldopamine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:140535 ! TRPV1 agonist + +[Term] +id: CHEBI:31885 +name: N-acetyl-L-2-aminoadipic acid +is_a: CHEBI:21644 ! N-acyl-L-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:31887 +name: N-acetyl-L-2-aminoadipic acid 6-phosphate +is_a: CHEBI:36951 ! aminoacyl phosphate + +[Term] +id: CHEBI:31915 +name: nogalonic acid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:37484 ! dihydroxyanthraquinone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:31923 +name: novobiocic acid +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:31966 +name: pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:31967 +name: pelargonidin 3-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:71583 ! anthocyanidin glycoside +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:31968 +name: pelargonidin 3-O-rutinoside +is_a: CHEBI:26587 ! rutinoside +is_a: CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:31969 +name: pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26587 ! rutinoside +is_a: CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:31997 +name: N,N-dimethylethanolamine phosphate +is_a: CHEBI:36711 ! phosphoethanolamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:31998 +name: N-acylphytosphingosine +is_a: CHEBI:139051 ! phytoceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:32023 +name: plaunotol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23849 ! diterpenoid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:49201 ! anti-ulcer drug +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:73336 ! vulnerary +relationship: has_role CHEBI:76595 ! nephroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32079 +name: pyrrolnitrin +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:86327 ! antifungal drug + +[Term] +id: CHEBI:32096 +name: rhodomycin D +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:3211 +name: bulbocapnine +is_a: CHEBI:134209 ! aporphine alkaloid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38104 ! oxacycle +relationship: has_role CHEBI:53659 ! EC 1.4.3.22 (diamine oxidase) inhibitor +relationship: has_role CHEBI:63932 ! EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32115 +name: salvianin +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:32154 +name: octadecan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +is_a: CHEBI:78138 ! fatty alcohol 18:0 +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:32167 +name: 1,2-diacyl-3-(alpha-D-6-sulfoquinovosyl)-sn-glycerol +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:32197 +name: tetracenomycin A2 +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51286 ! tetracenequinones + +[Term] +id: CHEBI:32202 +name: tetracenomycin D3 +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51286 ! tetracenequinones + +[Term] +id: CHEBI:32205 +name: tetracenomycin F1 +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:48132 ! tetracenomycin + +[Term] +id: CHEBI:32207 +name: tetracenomycin F2 +is_a: CHEBI:48132 ! tetracenomycin + +[Term] +id: CHEBI:32274 +name: UDP-3-keto-alpha-D-glucose +is_a: CHEBI:17297 ! UDP-sugar +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:32275 +name: UDP-alpha-D-kanosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:3230 +name: butachlor +is_a: CHEBI:140326 ! tertiary carboxamide +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:62733 ! aromatic amide +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:32304 +name: 2-cis,4-trans-xanthoxin +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:35219 ! plant growth retardant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32325 +name: beta-ionone +is_a: CHEBI:49248 ! ionone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:48318 ! fragrance + +[Term] +id: CHEBI:32328 +name: 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)acrylic acid +is_a: CHEBI:23469 ! cyclohexadienediol + +[Term] +id: CHEBI:32333 +name: dTDP-5,5-di-C-methyl-beta-L-lyxose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:32336 +name: dTDP-beta-L-vancosamine +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:32340 +name: dTDP-beta-L-daunosamine +is_a: CHEBI:23557 ! dTDP-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32356 +name: 2,3-dihydroxy-trans-cinnamic acid +is_a: CHEBI:48681 ! 2,3-dihydroxycinnamic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32357 +name: trans-3-coumaric acid +is_a: CHEBI:47925 ! 3-coumaric acid + +[Term] +id: CHEBI:32360 +name: arachidate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:78126 ! fatty acid anion 20:0 +is_a: CHEBI:83955 ! 2-saturated fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32361 +name: nonanoate +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32362 +name: heptanoate +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32364 +name: 3-dehydroquinate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32365 +name: heptadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:75768 ! mammalian metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:32366 +name: margarate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78124 ! fatty acid anion 17:0 +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:32368 +name: undecanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32369 +name: undecanoate +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32370 +name: myristoleate +is_a: CHEBI:78896 ! tetradecenoate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32372 +name: palmitoleate +is_a: CHEBI:71449 ! hexadec-9-enoate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32373 +name: 4-coumarate +is_a: CHEBI:23399 ! coumarate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32374 +name: trans-4-coumaric acid +is_a: CHEBI:36090 ! 4-coumaric acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:32375 +name: petroselinate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:78049 ! octadecenoate + +[Term] +id: CHEBI:32379 +name: cis,cis-muconate +is_a: CHEBI:36157 ! muconate +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:32381 +name: dec-9-enoic acid +is_a: CHEBI:36003 ! decenoic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:32382 +name: (R)-mandelate +is_a: CHEBI:25147 ! mandelate + +[Term] +id: CHEBI:32383 +name: 6-hydroxyhexanoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion + +[Term] +id: CHEBI:32387 +name: alpha-linolenate +is_a: CHEBI:133790 ! linolenate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32389 +name: all-cis-octadeca-6,9,12,15-tetraenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:37810 ! octadecatetraenoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite + +[Term] +id: CHEBI:32391 +name: gamma-linolenate +is_a: CHEBI:133790 ! linolenate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32392 +name: (15Z)-tetracosenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:78068 ! tetracosenoate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32393 +name: erucate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:78076 ! docosenoate + +[Term] +id: CHEBI:32395 +name: arachidonate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62920 ! icosatetraenoate +is_a: CHEBI:62937 ! icosanoid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32396 +name: 6-aminohexanoate +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:32398 +name: D-glyceric acid +is_a: CHEBI:33508 ! glyceric acid + +[Term] +id: CHEBI:32402 +name: catecholate(2-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32408 +name: parinaric acid +is_a: CHEBI:37810 ! octadecatetraenoic acid + +[Term] +id: CHEBI:32409 +name: (9Z,11E,13E,15Z)-octadecatetraenoic acid +is_a: CHEBI:32408 ! parinaric acid + +[Term] +id: CHEBI:32414 +name: cis-parinarate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:32425 +name: (Z)-icos-11-enoic acid +is_a: CHEBI:23902 ! icosenoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32426 +name: gondoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:78075 ! icosenoate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32431 +name: L-alaninate +is_a: CHEBI:32439 ! alaninate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32432 +name: L-alaninium +is_a: CHEBI:32440 ! alaninium +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32435 +name: D-alaninate +is_a: CHEBI:32439 ! alaninate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32436 +name: D-alaninium +is_a: CHEBI:32440 ! alaninium +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32439 +name: alaninate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:32440 +name: alaninium +is_a: CHEBI:33719 ! alpha-amino-acid cation +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:32442 +name: L-cysteinate(1-) +is_a: CHEBI:32456 ! cysteinate(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32443 +name: L-cysteinate(2-) +is_a: CHEBI:32457 ! cysteinate(2-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32445 +name: L-cysteinium +is_a: CHEBI:32458 ! cysteinium +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32446 +name: all-trans-neoxanthin +is_a: CHEBI:25501 ! neoxanthin +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32447 +name: L-cysteinyl group +is_a: CHEBI:23511 ! cysteinyl group +is_a: CHEBI:33716 ! N-terminal proteinogenic amino-acid residue + +[Term] +id: CHEBI:32448 +name: L-cysteino group +is_a: CHEBI:32459 ! cysteino group +is_a: CHEBI:33717 ! C-terminal proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:32449 +name: D-cysteinate(1-) +is_a: CHEBI:32456 ! cysteinate(1-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32450 +name: D-cysteinate(2-) +is_a: CHEBI:32457 ! cysteinate(2-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32451 +name: D-cysteinium +is_a: CHEBI:32458 ! cysteinium +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32452 +name: D-cysteinyl group +is_a: CHEBI:23511 ! cysteinyl group + +[Term] +id: CHEBI:32453 +name: D-cysteino group +is_a: CHEBI:32459 ! cysteino group + +[Term] +id: CHEBI:32456 +name: cysteinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63470 ! sulfur-containing amino-acid anion + +[Term] +id: CHEBI:32457 +name: cysteinate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32458 +name: cysteinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32459 +name: cysteino group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:32460 +name: cysteine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32461 +name: cysteinate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:32462 +name: L-alpha-aspartyl group +is_a: CHEBI:22445 ! alpha-aspartyl group +is_a: CHEBI:33716 ! N-terminal proteinogenic amino-acid residue + +[Term] +id: CHEBI:32466 +name: D-alpha-aspartyl group +is_a: CHEBI:22445 ! alpha-aspartyl group + +[Term] +id: CHEBI:32470 +name: aspartic acid residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32471 +name: aspartate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:32474 +name: L-gamma-glutamyl group +is_a: CHEBI:24190 ! gamma-glutamyl group + +[Term] +id: CHEBI:32479 +name: D-alpha-glutamyl group +is_a: CHEBI:22453 ! alpha-glutamyl group + +[Term] +id: CHEBI:32480 +name: D-gamma-glutamyl group +is_a: CHEBI:24190 ! gamma-glutamyl group + +[Term] +id: CHEBI:32482 +name: D-glutamo group +is_a: CHEBI:24321 ! glutamo group + +[Term] +id: CHEBI:32483 +name: glutamic acid residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32484 +name: glutamate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:32486 +name: L-phenylalaninate +is_a: CHEBI:32504 ! phenylalaninate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32487 +name: L-phenylalaninium +is_a: CHEBI:32505 ! phenylalaninium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:324935 +name: fumagillol +is_a: CHEBI:133131 ! spiro-epoxide +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:32494 +name: D-phenylalaninate +is_a: CHEBI:32504 ! phenylalaninate + +[Term] +id: CHEBI:32495 +name: D-phenylalaninium +is_a: CHEBI:32505 ! phenylalaninium + +[Term] +id: CHEBI:32504 +name: phenylalaninate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63473 ! aromatic amino-acid anion + +[Term] +id: CHEBI:32505 +name: phenylalaninium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32507 +name: glycinium +is_a: CHEBI:33719 ! alpha-amino-acid cation +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32508 +name: glycinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32510 +name: L-histidinate(1-) +is_a: CHEBI:32529 ! histidinate(1-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32511 +name: L-histidinate(2-) +is_a: CHEBI:32530 ! histidinate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32512 +name: L-histidinium(2+) +is_a: CHEBI:32532 ! histidinium(2+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32513 +name: L-histidinium(1+) +is_a: CHEBI:32531 ! histidinium(1+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32523 +name: D-histidinate(1-) +is_a: CHEBI:32529 ! histidinate(1-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32524 +name: D-histidinate(2-) +is_a: CHEBI:32530 ! histidinate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32526 +name: D-histidinium(1+) +is_a: CHEBI:32531 ! histidinium(1+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32527 +name: D-histidinium(2+) +is_a: CHEBI:32532 ! histidinium(2+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32529 +name: histidinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32530 +name: histidinate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32531 +name: histidinium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32532 +name: histidinium(2+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32535 +name: histidine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32536 +name: histidinium residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:32538 +name: bacillosamine +is_a: CHEBI:24271 ! glucosamines +is_a: CHEBI:63349 ! trideoxyhexose derivative + +[Term] +id: CHEBI:32539 +name: daunosamine +is_a: CHEBI:24586 ! hexosamine +is_a: CHEBI:63349 ! trideoxyhexose derivative + +[Term] +id: CHEBI:32544 +name: nicotinate +is_a: CHEBI:38181 ! pyridinemonocarboxylate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32549 +name: epsilon-carotene +is_a: CHEBI:139115 ! carotenoid epsilon-end group +is_a: CHEBI:35163 ! cyclic carotene + +[Term] +id: CHEBI:32550 +name: L-lysinate +is_a: CHEBI:32563 ! lysinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32551 +name: L-lysinium(1+) +is_a: CHEBI:32564 ! lysinium(1+) +is_a: CHEBI:62031 ! polar amino acid zwitterion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32552 +name: L-lysinium(2+) +is_a: CHEBI:32565 ! lysinium(2+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32553 +name: L-lysyl group +is_a: CHEBI:33716 ! N-terminal proteinogenic amino-acid residue +is_a: CHEBI:37903 ! lysyl group + +[Term] +id: CHEBI:32556 +name: D-lysinate +is_a: CHEBI:32563 ! lysinate +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32557 +name: D-lysinium(1+) +is_a: CHEBI:32564 ! lysinium(1+) +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32558 +name: D-lysinium(2+) +is_a: CHEBI:32565 ! lysinium(2+) +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32559 +name: D-lysyl group +is_a: CHEBI:37903 ! lysyl group + +[Term] +id: CHEBI:32563 +name: lysinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32564 +name: lysinium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32565 +name: lysinium(2+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32568 +name: lysine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32571 +name: perosamine +is_a: CHEBI:25166 ! mannosamine +is_a: CHEBI:63346 ! deoxymannose derivative + +[Term] +id: CHEBI:32579 +name: lysinium residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:32587 +name: 2-hydroxybenzoyl-CoA +is_a: CHEBI:24678 ! hydroxybenzoyl-CoA + +[Term] +id: CHEBI:3259 +name: CCCP +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:38532 ! hydrazone +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:32600 +name: tetracene +is_a: CHEBI:35297 ! acene +is_a: CHEBI:51270 ! tetracenes + +[Term] +id: CHEBI:32604 +name: L-isoleucinate +is_a: CHEBI:32612 ! isoleucinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32605 +name: L-isoleucinium +is_a: CHEBI:32613 ! isoleucinium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32608 +name: D-isoleucinate +is_a: CHEBI:32612 ! isoleucinate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32609 +name: D-isoleucinium +is_a: CHEBI:32613 ! isoleucinium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32612 +name: isoleucinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32613 +name: isoleucinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32619 +name: L-leucinate +is_a: CHEBI:32627 ! leucinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32620 +name: L-leucinium +is_a: CHEBI:32628 ! leucinium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32622 +name: L-leucino group +is_a: CHEBI:32629 ! leucino group +is_a: CHEBI:33717 ! C-terminal proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:32623 +name: D-leucinate +is_a: CHEBI:32627 ! leucinate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32624 +name: D-leucinium +is_a: CHEBI:32628 ! leucinium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32626 +name: D-leucino group +is_a: CHEBI:32629 ! leucino group + +[Term] +id: CHEBI:326268 +name: 1,4-butanediammonium +is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32627 +name: leucinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63471 ! branched-chain amino-acid anion + +[Term] +id: CHEBI:32628 +name: leucinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32629 +name: leucino group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:32631 +name: L-methioninate +is_a: CHEBI:32644 ! methioninate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32632 +name: L-methioninium +is_a: CHEBI:32646 ! methioninium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32637 +name: D-methioninate +is_a: CHEBI:32644 ! methioninate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32638 +name: D-methioninium +is_a: CHEBI:32646 ! methioninium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32640 +name: D-methionyl group +is_a: CHEBI:37902 ! methionyl group + +[Term] +id: CHEBI:32644 +name: methioninate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63470 ! sulfur-containing amino-acid anion + +[Term] +id: CHEBI:32646 +name: methioninium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32648 +name: methionine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32650 +name: L-asparaginate +is_a: CHEBI:32660 ! asparaginate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:32651 +name: L-asparaginium +is_a: CHEBI:32661 ! asparaginium + +[Term] +id: CHEBI:32653 +name: D-asparaginyl group +is_a: CHEBI:22656 ! asparaginyl group + +[Term] +id: CHEBI:32656 +name: D-asparaginate +is_a: CHEBI:32660 ! asparaginate + +[Term] +id: CHEBI:32657 +name: D-asparaginium +is_a: CHEBI:32661 ! asparaginium + +[Term] +id: CHEBI:32660 +name: asparaginate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32661 +name: asparaginium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32664 +name: asparagine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32665 +name: L-glutaminate +is_a: CHEBI:32678 ! glutaminate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:32666 +name: L-glutaminium +is_a: CHEBI:32679 ! glutaminium + +[Term] +id: CHEBI:32668 +name: N(2)-L-glutamino group +is_a: CHEBI:21816 ! N(2)-glutamino group +is_a: CHEBI:33717 ! C-terminal proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:32672 +name: D-glutaminate +is_a: CHEBI:32678 ! glutaminate + +[Term] +id: CHEBI:32673 +name: D-glutaminium +is_a: CHEBI:32679 ! glutaminium + +[Term] +id: CHEBI:32675 +name: N(2)-D-glutamino group +is_a: CHEBI:21816 ! N(2)-glutamino group + +[Term] +id: CHEBI:32677 +name: glutamine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32678 +name: glutaminate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32679 +name: glutaminium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32681 +name: L-argininate +is_a: CHEBI:32695 ! argininate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:32682 +name: L-argininium(1+) +is_a: CHEBI:32696 ! argininium(1+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32683 +name: L-argininium(2+) +is_a: CHEBI:32697 ! argininium(2+) + +[Term] +id: CHEBI:32688 +name: D-argininate +is_a: CHEBI:32695 ! argininate + +[Term] +id: CHEBI:32689 +name: D-argininium(1+) +is_a: CHEBI:32696 ! argininium(1+) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32690 +name: D-argininium(2+) +is_a: CHEBI:32697 ! argininium(2+) + +[Term] +id: CHEBI:32695 +name: argininate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32696 +name: argininium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32697 +name: argininium(2+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32699 +name: argininium residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:32700 +name: arginine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32702 +name: L-tryptophanate +is_a: CHEBI:32727 ! tryptophanate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32704 +name: L-tryptophanium +is_a: CHEBI:32728 ! tryptophanium +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32716 +name: D-tryptophanate +is_a: CHEBI:32727 ! tryptophanate +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32717 +name: D-tryptophanium +is_a: CHEBI:32728 ! tryptophanium +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32721 +name: glycyl radical +is_a: CHEBI:33544 ! alpha-amino-acid radical +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32722 +name: glycyl radical residue +is_a: CHEBI:33728 ! proteinogenic amino-acid residue radical + +[Term] +id: CHEBI:32727 +name: tryptophanate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32728 +name: tryptophanium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32742 +name: L-selenocysteinate(1-) +is_a: CHEBI:32752 ! selenocysteinate(1-) + +[Term] +id: CHEBI:32743 +name: L-selenocysteinate(2-) +is_a: CHEBI:32753 ! selenocysteinate(2-) + +[Term] +id: CHEBI:32744 +name: L-selenocysteinium +is_a: CHEBI:32754 ! selenocysteinium + +[Term] +id: CHEBI:32747 +name: D-selenocysteinate(1-) +is_a: CHEBI:32752 ! selenocysteinate(1-) + +[Term] +id: CHEBI:32750 +name: D-selenocysteinate(2-) +is_a: CHEBI:32753 ! selenocysteinate(2-) + +[Term] +id: CHEBI:32751 +name: D-selenocysteinium +is_a: CHEBI:32754 ! selenocysteinium + +[Term] +id: CHEBI:32752 +name: selenocysteinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32753 +name: selenocysteinate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32754 +name: selenocysteinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32760 +name: L-tyrosinate(1-) +is_a: CHEBI:32784 ! tyrosinate(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32761 +name: L-tyrosinate(2-) +is_a: CHEBI:32785 ! tyrosinate(2-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32762 +name: L-tyrosinium +is_a: CHEBI:32786 ! tyrosinium +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32764 +name: L-tyrosyl group +is_a: CHEBI:33716 ! N-terminal proteinogenic amino-acid residue +is_a: CHEBI:37898 ! tyrosyl group + +[Term] +id: CHEBI:32773 +name: D-tyrosinate(1-) +is_a: CHEBI:32784 ! tyrosinate(1-) +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32774 +name: D-tyrosinate(2-) +is_a: CHEBI:32785 ! tyrosinate(2-) +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32775 +name: D-tyrosinium +is_a: CHEBI:32786 ! tyrosinium +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32778 +name: D-tyrosyl group +is_a: CHEBI:37898 ! tyrosyl group + +[Term] +id: CHEBI:32784 +name: tyrosinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32785 +name: tyrosinate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32786 +name: tyrosinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32789 +name: tyrosine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32796 +name: (R)-2-hydroxyglutaric acid +is_a: CHEBI:17084 ! 2-hydroxyglutaric acid +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:32797 +name: (S)-2-hydroxyglutaric acid +is_a: CHEBI:17084 ! 2-hydroxyglutaric acid + +[Term] +id: CHEBI:32798 +name: 9-cis,11-trans-octadecadienoic acid +is_a: CHEBI:36025 ! octadeca-9,11-dienoic acid + +[Term] +id: CHEBI:327995 +name: tyraminium +is_a: CHEBI:25375 ! monoamine molecular messenger +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32800 +name: (S)-mandelic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:35825 ! mandelic acid + +[Term] +id: CHEBI:32802 +name: (S)-4-hydroxymandelic acid +is_a: CHEBI:16388 ! 4-hydroxymandelic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:32803 +name: (R)-4-hydroxymandelic acid +is_a: CHEBI:16388 ! 4-hydroxymandelic acid + +[Term] +id: CHEBI:32804 +name: 4-hydroxymandelate +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:58896 ! 2-hydroxy carboxylate + +[Term] +id: CHEBI:32805 +name: cis-aconitic acid +is_a: CHEBI:22211 ! aconitic acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32806 +name: trans-aconitic acid +is_a: CHEBI:22211 ! aconitic acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32807 +name: o-orsellinic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:32808 +name: (Z)-5-oxohex-2-enedioic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:32809 +name: 3-hydroxy-L-glutamic acid +is_a: CHEBI:24659 ! hydroxy-L-glutamic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:32810 +name: 3-hydroxy-L-glutamate(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:32811 +name: 4-hydroxy-L-glutamic acid +is_a: CHEBI:24659 ! hydroxy-L-glutamic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:32812 +name: 4-hydroxy-L-glutamate(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:32813 +name: N-amidino-L-aspartate(2-) +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:32814 +name: N-carbamoyl-L-aspartate(2-) +is_a: CHEBI:58865 ! N-carbamoyl-L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32815 +name: enol-phenylpyruvic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:32816 +name: pyruvic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32817 +name: keto-3-deoxy-D-manno-octulosonic acid +is_a: CHEBI:11791 ! 3-deoxy-D-manno-octulosonic acid + +[Term] +id: CHEBI:32818 +name: p-coumaroylagmatine +is_a: CHEBI:23247 ! cinnamamides +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:32819 +name: L-2-amino-4-chloropent-4-enoate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:32820 +name: L-threoninate +is_a: CHEBI:32832 ! threoninate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32822 +name: L-threoninium +is_a: CHEBI:32833 ! threoninium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32826 +name: D-allothreonine +is_a: CHEBI:38262 ! allothreonine +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32827 +name: D-threoninate +is_a: CHEBI:32832 ! threoninate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32828 +name: D-threoninium +is_a: CHEBI:32833 ! threoninium +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:32832 +name: threoninate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32833 +name: threoninium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32835 +name: threonine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32836 +name: L-serinate +is_a: CHEBI:32845 ! serinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:32837 +name: L-serinium +is_a: CHEBI:32846 ! serinium + +[Term] +id: CHEBI:32840 +name: D-serinate +is_a: CHEBI:32845 ! serinate + +[Term] +id: CHEBI:32841 +name: D-serinium +is_a: CHEBI:32846 ! serinium + +[Term] +id: CHEBI:32844 +name: N-acetyl-4-O-acetylneuraminic acid +is_a: CHEBI:21569 ! N-acetyl-O-acetylneuraminic acid + +[Term] +id: CHEBI:32845 +name: serinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32846 +name: serinium +is_a: CHEBI:33719 ! alpha-amino-acid cation +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:32848 +name: serine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32851 +name: L-valinate +is_a: CHEBI:32859 ! valinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32852 +name: L-valinium +is_a: CHEBI:32860 ! valinium +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32855 +name: D-valinate +is_a: CHEBI:32859 ! valinate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32856 +name: D-valinium +is_a: CHEBI:32860 ! valinium +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32859 +name: valinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63471 ! branched-chain amino-acid anion + +[Term] +id: CHEBI:32860 +name: valinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32862 +name: L-prolinate +is_a: CHEBI:32871 ! prolinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32863 +name: secondary amine +is_a: CHEBI:32952 ! amine +is_a: CHEBI:50995 ! secondary amino compound + +[Term] +id: CHEBI:32864 +name: L-prolinium +is_a: CHEBI:32872 ! prolinium +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32867 +name: D-prolinate +is_a: CHEBI:32871 ! prolinate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32868 +name: D-prolinium +is_a: CHEBI:32872 ! prolinium +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32871 +name: prolinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32872 +name: prolinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:32874 +name: proline residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:32875 +name: methyl group +is_a: CHEBI:22323 ! alkyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:32876 +name: tertiary amine +is_a: CHEBI:32952 ! amine +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:32877 +name: primary amine +is_a: CHEBI:32952 ! amine +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:32878 +name: alkene +is_a: CHEBI:33645 ! acyclic olefin + +[Term] +id: CHEBI:32879 +name: propane +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:78017 ! food propellant + +[Term] +id: CHEBI:32888 +name: gamma-hexachlorocyclohexane +is_a: CHEBI:23457 ! cyclodiene organochlorine insecticide +is_a: CHEBI:24536 ! hexachlorocyclohexane +relationship: has_role CHEBI:24127 ! fungicide +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:33286 ! agrochemical +relationship: has_role CHEBI:33288 ! rodenticide +relationship: has_role CHEBI:38706 ! pediculicide +relationship: has_role CHEBI:38999 ! GABA-gated chloride channel antagonist +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:32892 +name: nonane +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32896 +name: (2R)-O-phospho-3-sulfolactic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate +is_a: CHEBI:38031 ! carboxyalkanesulfonic acid + +[Term] +id: CHEBI:32897 +name: 10-deacetyl-2-debenzoylbaccatin III +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:52557 ! tetracyclic diterpenoid + +[Term] +id: CHEBI:32898 +name: baccatin III +is_a: CHEBI:36054 ! benzoate ester +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:52557 ! tetracyclic diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32902 +name: gibberellin A4 +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32922 +name: (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:15599 ! cis-3-phenylcyclohexa-3,5-diene-1,2-diol + +[Term] +id: CHEBI:32926 +name: octadecane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:32940 +name: hexacosane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32952 +name: amine +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:32955 +name: epoxide +is_a: CHEBI:37407 ! cyclic ether + +[Term] +id: CHEBI:32957 +name: lysophosphatidic acids +is_a: CHEBI:16961 ! monoacylglycerol phosphate + +[Term] +id: CHEBI:32958 +name: phosphate group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:32963 +name: amidinoproclavaminic acid +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35627 ! beta-lactam +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:83965 ! L-arginine derivative + +[Term] +id: CHEBI:32964 +name: ornithinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:32965 +name: N(3')-acetylgentamycin C +is_a: CHEBI:21826 ! N(3')-acetylgentamycin + +[Term] +id: CHEBI:32966 +name: beta-D-fructofuranose 1,6-bisphosphate(4-) +is_a: CHEBI:49299 ! D-fructofuranose 1,6-bisphosphate(4-) + +[Term] +id: CHEBI:32969 +name: D-lombricine +is_a: CHEBI:25072 ! lombricine + +[Term] +id: CHEBI:32970 +name: 2-aminoethanesulfonate +is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:32971 +name: 3,4,6-trichlorocatechol +is_a: CHEBI:27097 ! trichlorocatechol + +[Term] +id: CHEBI:32976 +name: 2,3,4,5-tetrahydrodipicolinic acid +is_a: CHEBI:26921 ! tetrahydropyridine +is_a: CHEBI:36164 ! amino dicarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:32978 +name: (R)-3-phenyllactic acid +is_a: CHEBI:17893 ! (2R)-2-hydroxy monocarboxylic acid +is_a: CHEBI:25998 ! 3-phenyllactic acid + +[Term] +id: CHEBI:32979 +name: (S)-3-phenyllactate +is_a: CHEBI:58123 ! (2S)-2-hydroxy monocarboxylic acid anion +is_a: CHEBI:8100 ! 3-phenyllactate + +[Term] +id: CHEBI:32980 +name: phloretic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:32988 +name: amide +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:32989 +name: N(omega)-phosphohypotaurocyamine +is_a: CHEBI:17102 ! phosphoramide + +[Term] +id: CHEBI:33007 +name: chromium(6+) +is_a: CHEBI:33423 ! monoatomic hexacation +is_a: CHEBI:33516 ! chromium cation + +[Term] +id: CHEBI:33017 +name: diphosphate(1-) +is_a: CHEBI:35782 ! diphosphate ion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:33019 +name: diphosphate(3-) +is_a: CHEBI:35782 ! diphosphate ion +is_a: CHEBI:79387 ! trivalent inorganic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:33020 +name: kojibiose +is_a: CHEBI:24405 ! glycosylglucose + +[Term] +id: CHEBI:33033 +name: 2-oxopentanoic acid +is_a: CHEBI:25799 ! oxopentanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:3306 +name: calcitonin +is_a: CHEBI:15841 ! polypeptide +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:25905 ! peptide hormone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50646 ! bone density conservation agent + +[Term] +id: CHEBI:33070 +name: indole-3-butyric acid +is_a: CHEBI:24810 ! indol-3-yl carboxylic acid +relationship: has_role CHEBI:22676 ! auxin +relationship: has_role CHEBI:37848 ! plant hormone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33076 +name: D-mannonic acid +is_a: CHEBI:21054 ! mannonic acid + +[Term] +id: CHEBI:330772 +name: dichloroarcyriaflavin A +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:51914 ! organic heterohexacyclic compound +is_a: CHEBI:51915 ! indolocarbazole + +[Term] +id: CHEBI:33082 +name: phenalene +is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene +is_a: CHEBI:51120 ! ortho- and peri-fused tricyclic hydrocarbon + +[Term] +id: CHEBI:33094 +name: (S)-3-aminoisobutyric acid +is_a: CHEBI:27389 ! 3-aminoisobutyric acid +is_a: CHEBI:33706 ! beta-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:33101 +name: nitrogen dioxide +is_a: CHEBI:35196 ! nitrogen oxide + +[Term] +id: CHEBI:33113 +name: tetrathionate(1-) +is_a: CHEBI:26936 ! tetrathionate ion + +[Term] +id: CHEBI:33114 +name: disulfane +is_a: CHEBI:33535 ! sulfur hydride +is_a: CHEBI:50425 ! inorganic disulfide + +[Term] +id: CHEBI:33118 +name: boric acid +is_a: CHEBI:59765 ! boric acids +relationship: has_role CHEBI:74783 ! astringent + +[Term] +id: CHEBI:33140 +name: pyrazolium +is_a: CHEBI:38179 ! monocyclic heteroarene + +[Term] +id: CHEBI:33143 +name: chromic acid +is_a: CHEBI:35401 ! chromium oxoacid +relationship: has_role CHEBI:63248 ! oxidising agent + +[Term] +id: CHEBI:33144 +name: hydrogenchromate +is_a: CHEBI:35402 ! chromium oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:33145 +name: boron oxoacid +is_a: CHEBI:22916 ! boron molecular entity +is_a: CHEBI:24833 ! oxoacid + +[Term] +id: CHEBI:33163 +name: dec-9-enoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion + +[Term] +id: CHEBI:33173 +name: benzimidazolide +is_a: CHEBI:50335 ! organic nitrogen anion + +[Term] +id: CHEBI:33184 +name: long-chain fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA + +[Term] +id: CHEBI:33186 +name: malononitrile +is_a: CHEBI:51308 ! dinitrile +is_a: CHEBI:80291 ! aliphatic nitrile + +[Term] +id: CHEBI:33187 +name: oxomalononitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:51852 ! alpha-ketonitrile + +[Term] +id: CHEBI:33189 +name: hydrazonomalononitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:38532 ! hydrazone + +[Term] +id: CHEBI:33190 +name: 3-oxopropanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:33196 +name: (3R)-3-hydroxy-L-aspartate(2-) +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:33197 +name: (R)-10-hydroxyoctadecanoic acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid + +[Term] +id: CHEBI:33198 +name: D-gluconic acid +is_a: CHEBI:24266 ! gluconic acid +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:76964 ! Penicillium metabolite + +[Term] +id: CHEBI:33199 +name: propynoic acid +is_a: CHEBI:25380 ! acetylenic fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:73477 ! terminal acetylenic compound +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:33203 +name: (Z)-24-ethylidenelophenol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:33216 +name: bisphenol A +is_a: CHEBI:22901 ! bisphenol +relationship: has_role CHEBI:138015 ! endocrine disruptor +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:76988 ! xenoestrogen +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:33221 +name: corrin +is_a: CHEBI:23392 ! corrins +is_a: CHEBI:35794 ! tetrapyrrole fundamental parent +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:33224 +name: chromane +is_a: CHEBI:23230 ! chromanes + +[Term] +id: CHEBI:33227 +name: (E)-cinnamyl alcohol +is_a: CHEBI:17177 ! cinnamyl alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33229 +name: vitamin +is_a: CHEBI:27027 ! micronutrient +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:33231 +name: antitubercular agent +is_a: CHEBI:64912 ! antimycobacterial drug + +[Term] +id: CHEBI:33232 +name: application +is_a: CHEBI:50906 ! role + +[Term] +id: CHEBI:33233 +name: fundamental particle +is_a: CHEBI:36342 ! subatomic particle + +[Term] +id: CHEBI:33234 +name: vitamin E +is_a: CHEBI:23229 ! chromanol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:24020 ! fat-soluble vitamin + +[Term] +id: CHEBI:33235 +name: tocotrienol +is_a: CHEBI:39437 ! tocol + +[Term] +id: CHEBI:33237 +name: vitamin D4 +is_a: CHEBI:27300 ! vitamin D +is_a: CHEBI:36819 ! seco-ergostane +is_a: CHEBI:36853 ! hydroxy seco-steroid + +[Term] +id: CHEBI:33238 +name: monoatomic entity +is_a: CHEBI:33259 ! elemental molecular entity + +[Term] +id: CHEBI:33240 +name: coordination entity +is_a: CHEBI:37577 ! heteroatomic molecular entity + +[Term] +id: CHEBI:33241 +name: oxoacid derivative +is_a: CHEBI:37577 ! heteroatomic molecular entity + +[Term] +id: CHEBI:33242 +name: inorganic hydride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33692 ! hydrides + +[Term] +id: CHEBI:33245 +name: organic fundamental parent +is_a: CHEBI:37175 ! organic hydride +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:33246 +name: inorganic group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:33247 +name: organic group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:33248 +name: hydrocarbyl group +is_a: CHEBI:33249 ! organyl group + +[Term] +id: CHEBI:33249 +name: organyl group +is_a: CHEBI:51447 ! organic univalent group + +[Term] +id: CHEBI:33250 +name: atom +is_a: CHEBI:24431 ! chemical entity +relationship: has_part CHEBI:10545 ! electron +relationship: has_part CHEBI:33252 ! atomic nucleus + +[Term] +id: CHEBI:33251 +name: monoatomic hydrogen +is_a: CHEBI:33238 ! monoatomic entity +is_a: CHEBI:33260 ! elemental hydrogen + +[Term] +id: CHEBI:33252 +name: atomic nucleus +is_a: CHEBI:36347 ! nuclear particle +relationship: has_part CHEBI:33253 ! nucleon + +[Term] +id: CHEBI:33253 +name: nucleon +is_a: CHEBI:36339 ! baryon +is_a: CHEBI:36347 ! nuclear particle + +[Term] +id: CHEBI:33255 +name: alkylmercury compound +is_a: CHEBI:25706 ! organomercury compound + +[Term] +id: CHEBI:33256 +name: primary amide +is_a: CHEBI:32988 ! amide + +[Term] +id: CHEBI:33257 +name: secondary amide +is_a: CHEBI:32988 ! amide + +[Term] +id: CHEBI:33259 +name: elemental molecular entity +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:33260 +name: elemental hydrogen +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33608 ! hydrogen molecular entity + +[Term] +id: CHEBI:33261 +name: organosulfur compound +is_a: CHEBI:26835 ! sulfur molecular entity +is_a: CHEBI:36962 ! organochalcogen compound + +[Term] +id: CHEBI:33262 +name: elemental oxygen +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:25806 ! oxygen molecular entity +is_a: CHEBI:33259 ! elemental molecular entity + +[Term] +id: CHEBI:33263 +name: diatomic oxygen +is_a: CHEBI:33262 ! elemental oxygen + +[Term] +id: CHEBI:33265 +name: triatomic oxygen +is_a: CHEBI:33262 ! elemental oxygen + +[Term] +id: CHEBI:33266 +name: diatomic nitrogen +is_a: CHEBI:33267 ! elemental nitrogen + +[Term] +id: CHEBI:33267 +name: elemental nitrogen +is_a: CHEBI:33465 ! elemental pnictogen +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:33270 +name: alpha-tocotrienol +is_a: CHEBI:33234 ! vitamin E +is_a: CHEBI:33235 ! tocotrienol +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33272 +name: ketimine +is_a: CHEBI:24783 ! imine + +[Term] +id: CHEBI:33273 +name: polyatomic anion +is_a: CHEBI:22563 ! anion +is_a: CHEBI:36358 ! polyatomic ion + +[Term] +id: CHEBI:33275 +name: beta-tocotrienol +is_a: CHEBI:33234 ! vitamin E +is_a: CHEBI:33235 ! tocotrienol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33276 +name: delta-tocotrienol +is_a: CHEBI:33234 ! vitamin E +is_a: CHEBI:33235 ! tocotrienol +relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33277 +name: gamma-tocotrienol +is_a: CHEBI:33234 ! vitamin E +is_a: CHEBI:33235 ! tocotrienol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33279 +name: vitamin D5 +is_a: CHEBI:27300 ! vitamin D + +[Term] +id: CHEBI:33280 +name: molecular messenger +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:33281 +name: antimicrobial agent +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:33282 +name: antibacterial agent +is_a: CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:33284 +name: nutrient +is_a: CHEBI:78295 ! food component + +[Term] +id: CHEBI:33285 +name: heteroorganic entity +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:33286 +name: agrochemical +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:33287 +name: fertilizer +is_a: CHEBI:33286 ! agrochemical + +[Term] +id: CHEBI:33288 +name: rodenticide +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:33289 +name: avicide +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:33290 +name: food +is_a: CHEBI:52211 ! physiological role +relationship: has_part CHEBI:78295 ! food component + +[Term] +id: CHEBI:33292 +name: fuel +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:33295 +name: diagnostic agent +is_a: CHEBI:52217 ! pharmaceutical + +[Term] +id: CHEBI:33296 +name: alkali metal molecular entity +is_a: CHEBI:33674 ! s-block molecular entity +relationship: has_part CHEBI:22314 ! alkali metal atom + +[Term] +id: CHEBI:33299 +name: alkaline earth molecular entity +is_a: CHEBI:33674 ! s-block molecular entity +relationship: has_part CHEBI:22313 ! alkaline earth metal atom + +[Term] +id: CHEBI:33300 +name: pnictogen +is_a: CHEBI:33560 ! p-block element atom + +[Term] +id: CHEBI:33301 +name: bismuth atom +is_a: CHEBI:33300 ! pnictogen +is_a: CHEBI:33521 ! metal atom + +[Term] +id: CHEBI:33302 +name: pnictogen molecular entity +is_a: CHEBI:33675 ! p-block molecular entity +relationship: has_part CHEBI:33300 ! pnictogen + +[Term] +id: CHEBI:33303 +name: chalcogen +is_a: CHEBI:33560 ! p-block element atom + +[Term] +id: CHEBI:33304 +name: chalcogen molecular entity +is_a: CHEBI:33675 ! p-block molecular entity +relationship: has_part CHEBI:33303 ! chalcogen + +[Term] +id: CHEBI:33305 +name: tellurium molecular entity +is_a: CHEBI:33304 ! chalcogen molecular entity +relationship: has_part CHEBI:30452 ! tellurium atom + +[Term] +id: CHEBI:33306 +name: carbon group element atom +is_a: CHEBI:33560 ! p-block element atom + +[Term] +id: CHEBI:33307 +name: thiocarboxylic acid +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:64709 ! organic acid + +[Term] +id: CHEBI:33308 +name: carboxylic ester +is_a: CHEBI:35701 ! ester +is_a: CHEBI:36586 ! carbonyl compound + +[Term] +id: CHEBI:33309 +name: noble gas atom +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33318 ! main group element atom + +[Term] +id: CHEBI:33317 +name: boron group element atom +is_a: CHEBI:33560 ! p-block element atom + +[Term] +id: CHEBI:33318 +name: main group element atom +is_a: CHEBI:33250 ! atom + +[Term] +id: CHEBI:33327 +name: silicon oxide +is_a: CHEBI:24836 ! inorganic oxide +is_a: CHEBI:26677 ! silicon molecular entity + +[Term] +id: CHEBI:33328 +name: silicon oxoacid +is_a: CHEBI:24833 ! oxoacid +is_a: CHEBI:46890 ! silicon hydroxide +relationship: has_role CHEBI:138103 ! inorganic acid + +[Term] +id: CHEBI:33338 +name: aryl group +is_a: CHEBI:33248 ! hydrocarbyl group + +[Term] +id: CHEBI:33340 +name: zinc group element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33347 +name: vanadium group element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33350 +name: chromium group element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33352 +name: manganese group element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33356 +name: iron group element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33358 +name: cobalt group element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33362 +name: nickel group element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33364 +name: platinum +is_a: CHEBI:33362 ! nickel group element atom +is_a: CHEBI:33365 ! platinum group metal atom + +[Term] +id: CHEBI:33365 +name: platinum group metal atom +is_a: CHEBI:27081 ! transition element atom + +[Term] +id: CHEBI:33366 +name: copper group element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33384 +name: L-serine zwitterion +is_a: CHEBI:35243 ! serine zwitterion + +[Term] +id: CHEBI:33402 +name: sulfur oxoacid +is_a: CHEBI:26835 ! sulfur molecular entity +is_a: CHEBI:33484 ! chalcogen oxoacid + +[Term] +id: CHEBI:33403 +name: elemental sulfur +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:26835 ! sulfur molecular entity +is_a: CHEBI:33259 ! elemental molecular entity + +[Term] +id: CHEBI:33404 +name: 3-hydroxypropionic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:33405 +name: hydracid +is_a: CHEBI:33608 ! hydrogen molecular entity +relationship: has_role CHEBI:39141 ! Bronsted acid + +[Term] +id: CHEBI:33406 +name: organoarsenic compound +is_a: CHEBI:22632 ! arsenic molecular entity + +[Term] +id: CHEBI:33407 +name: arsenic oxoacid +is_a: CHEBI:22632 ! arsenic molecular entity +is_a: CHEBI:33408 ! pnictogen oxoacid + +[Term] +id: CHEBI:33408 +name: pnictogen oxoacid +is_a: CHEBI:24833 ! oxoacid +is_a: CHEBI:33302 ! pnictogen molecular entity +relationship: has_role CHEBI:138103 ! inorganic acid + +[Term] +id: CHEBI:33409 +name: methylarsonate(1-) +is_a: CHEBI:50956 ! organoarsonic acid anion + +[Term] +id: CHEBI:33410 +name: arsonite(1-) +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:33412 +name: diatomic sulfur +is_a: CHEBI:33403 ! elemental sulfur + +[Term] +id: CHEBI:33423 +name: monoatomic hexacation +is_a: CHEBI:25430 ! monoatomic polycation + +[Term] +id: CHEBI:33424 +name: sulfur oxoacid derivative +is_a: CHEBI:26835 ! sulfur molecular entity +is_a: CHEBI:33241 ! oxoacid derivative + +[Term] +id: CHEBI:33425 +name: halogen oxoacid +is_a: CHEBI:24471 ! halogen molecular entity +is_a: CHEBI:24833 ! oxoacid +relationship: has_role CHEBI:138103 ! inorganic acid + +[Term] +id: CHEBI:33426 +name: chlorine oxoacid +is_a: CHEBI:23117 ! chlorine molecular entity +is_a: CHEBI:33425 ! halogen oxoacid + +[Term] +id: CHEBI:33429 +name: monoatomic monoanion +is_a: CHEBI:23905 ! monoatomic anion +is_a: CHEBI:36830 ! monoanion + +[Term] +id: CHEBI:33431 +name: elemental chlorine +is_a: CHEBI:23117 ! chlorine molecular entity +is_a: CHEBI:33434 ! elemental halogen + +[Term] +id: CHEBI:33432 +name: monoatomic chlorine +is_a: CHEBI:33431 ! elemental chlorine +is_a: CHEBI:33433 ! monoatomic halogen + +[Term] +id: CHEBI:33433 +name: monoatomic halogen +is_a: CHEBI:33238 ! monoatomic entity + +[Term] +id: CHEBI:33434 +name: elemental halogen +is_a: CHEBI:33259 ! elemental molecular entity + +[Term] +id: CHEBI:33437 +name: chlorine oxoanion +is_a: CHEBI:23117 ! chlorine molecular entity +is_a: CHEBI:33443 ! halogen oxoanion + +[Term] +id: CHEBI:33443 +name: halogen oxoanion +is_a: CHEBI:24471 ! halogen molecular entity +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:35406 ! oxoanion + +[Term] +id: CHEBI:33447 +name: phospho sugar +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:33452 +name: benzylic group +is_a: CHEBI:33249 ! organyl group + +[Term] +id: CHEBI:33455 +name: nitrogen oxoacid +is_a: CHEBI:33408 ! pnictogen oxoacid +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:33456 +name: organoheteryl group +is_a: CHEBI:51447 ! organic univalent group + +[Term] +id: CHEBI:33457 +name: phosphorus oxoacid +is_a: CHEBI:33408 ! pnictogen oxoacid +is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives + +[Term] +id: CHEBI:33458 +name: nitrogen oxoanion +is_a: CHEBI:33459 ! pnictogen oxoanion +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:33459 +name: pnictogen oxoanion +is_a: CHEBI:33302 ! pnictogen molecular entity +is_a: CHEBI:35406 ! oxoanion + +[Term] +id: CHEBI:33461 +name: phosphorus oxoanion +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:26082 ! phosphorus molecular entity +is_a: CHEBI:33459 ! pnictogen oxoanion + +[Term] +id: CHEBI:33462 +name: phosphonate(1-) +is_a: CHEBI:33461 ! phosphorus oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:33465 +name: elemental pnictogen +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33302 ! pnictogen molecular entity + +[Term] +id: CHEBI:3347 +name: candesartan +is_a: CHEBI:35688 ! benzimidazolecarboxylic acid +is_a: CHEBI:48420 ! biphenylyltetrazole +relationship: has_role CHEBI:35674 ! antihypertensive agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:33482 +name: sulfur oxoanion +is_a: CHEBI:26835 ! sulfur molecular entity +is_a: CHEBI:33485 ! chalcogen oxoanion + +[Term] +id: CHEBI:33483 +name: trithionate(1-) +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:33484 +name: chalcogen oxoacid +is_a: CHEBI:24833 ! oxoacid +is_a: CHEBI:33304 ! chalcogen molecular entity +relationship: has_role CHEBI:138103 ! inorganic acid + +[Term] +id: CHEBI:33485 +name: chalcogen oxoanion +is_a: CHEBI:33304 ! chalcogen molecular entity +is_a: CHEBI:35406 ! oxoanion + +[Term] +id: CHEBI:33488 +name: selenium oxoanion +is_a: CHEBI:26628 ! selenium molecular entity +is_a: CHEBI:33485 ! chalcogen oxoanion + +[Term] +id: CHEBI:33489 +name: selenium oxoacid +is_a: CHEBI:26628 ! selenium molecular entity +is_a: CHEBI:33484 ! chalcogen oxoacid + +[Term] +id: CHEBI:3349 +name: candicidin D +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:26177 ! polyene antibiotic +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:86327 ! antifungal drug + +[Term] +id: CHEBI:33490 +name: hydrogenselenate +is_a: CHEBI:33488 ! selenium oxoanion + +[Term] +id: CHEBI:33497 +name: transition element molecular entity +is_a: CHEBI:23367 ! molecular entity +relationship: has_part CHEBI:27081 ! transition element atom + +[Term] +id: CHEBI:33504 +name: alkali metal cation +is_a: CHEBI:25213 ! metal cation + +[Term] +id: CHEBI:33507 +name: diketoaldonic acid +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:33508 +name: glyceric acid +is_a: CHEBI:33754 ! trionic acid +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:33509 +name: arabinonic acid +is_a: CHEBI:33753 ! pentonic acid + +[Term] +id: CHEBI:33510 +name: L-arabinonic acid +is_a: CHEBI:33509 ! arabinonic acid + +[Term] +id: CHEBI:33511 +name: ribonic acid +is_a: CHEBI:33753 ! pentonic acid + +[Term] +id: CHEBI:33513 +name: alkaline earth cation +is_a: CHEBI:25213 ! metal cation +is_a: CHEBI:33299 ! alkaline earth molecular entity + +[Term] +id: CHEBI:33515 +name: transition element cation +is_a: CHEBI:25213 ! metal cation + +[Term] +id: CHEBI:33516 +name: chromium cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:61310 ! chromium ion + +[Term] +id: CHEBI:33519 +name: tellurium oxoacid +is_a: CHEBI:33305 ! tellurium molecular entity +is_a: CHEBI:33484 ! chalcogen oxoacid + +[Term] +id: CHEBI:33520 +name: tellurium oxoanion +is_a: CHEBI:33305 ! tellurium molecular entity +is_a: CHEBI:33485 ! chalcogen oxoanion + +[Term] +id: CHEBI:33521 +name: metal atom +is_a: CHEBI:33250 ! atom + +[Term] +id: CHEBI:33522 +name: hydrogentellurite +is_a: CHEBI:33520 ! tellurium oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:33526 +name: mannonate +is_a: CHEBI:33866 ! mannonates + +[Term] +id: CHEBI:33527 +name: ribonate +is_a: CHEBI:33869 ! ribonates + +[Term] +id: CHEBI:33529 +name: idonate +is_a: CHEBI:33867 ! idonates + +[Term] +id: CHEBI:33530 +name: altronate +is_a: CHEBI:33868 ! altronates + +[Term] +id: CHEBI:33532 +name: altronic acid +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:33535 +name: sulfur hydride +is_a: CHEBI:26835 ! sulfur molecular entity +is_a: CHEBI:36902 ! chalcogen hydride + +[Term] +id: CHEBI:33539 +name: hydroxidodioxidosulfidosulfate(1-) +is_a: CHEBI:33541 ! thiosulfate(1-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:33540 +name: thiosulfuric acid +is_a: CHEBI:33402 ! sulfur oxoacid + +[Term] +id: CHEBI:33541 +name: thiosulfate(1-) +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:33542 +name: trioxidosulfanidosulfate(1-) +is_a: CHEBI:33541 ! thiosulfate(1-) + +[Term] +id: CHEBI:33543 +name: sulfonate +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:33544 +name: alpha-amino-acid radical +is_a: CHEBI:36872 ! organic radical + +[Term] +id: CHEBI:33549 +name: uronate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:33551 +name: organosulfonic acid +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:33552 ! sulfonic acid derivative +is_a: CHEBI:64709 ! organic acid +relationship: has_part CHEBI:29922 ! sulfo group +relationship: has_part CHEBI:33249 ! organyl group + +[Term] +id: CHEBI:33552 +name: sulfonic acid derivative +is_a: CHEBI:33424 ! sulfur oxoacid derivative + +[Term] +id: CHEBI:33554 +name: organosulfonate oxoanion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:33555 +name: arenesulfonic acid +is_a: CHEBI:33551 ! organosulfonic acid +relationship: has_part CHEBI:33338 ! aryl group + +[Term] +id: CHEBI:33557 +name: aminobenzenesulfonic acid +is_a: CHEBI:33555 ! arenesulfonic acid +is_a: CHEBI:37793 ! amino sulfonic acid + +[Term] +id: CHEBI:33558 +name: alpha-amino-acid anion +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:33559 +name: s-block element atom +is_a: CHEBI:33250 ! atom + +[Term] +id: CHEBI:33560 +name: p-block element atom +is_a: CHEBI:33318 ! main group element atom + +[Term] +id: CHEBI:33561 +name: d-block element atom +is_a: CHEBI:27081 ! transition element atom +is_a: CHEBI:33521 ! metal atom + +[Term] +id: CHEBI:33563 +name: glycolipid +is_a: CHEBI:35740 ! liposaccharide + +[Term] +id: CHEBI:33564 +name: dihydroxybenzenesulfonate +is_a: CHEBI:22713 ! arenesulfonate oxoanion + +[Term] +id: CHEBI:33565 +name: 2,3-dihydroxybenzenesulfonate +is_a: CHEBI:33564 ! dihydroxybenzenesulfonate + +[Term] +id: CHEBI:33566 +name: catechols +is_a: CHEBI:33570 ! benzenediols + +[Term] +id: CHEBI:33567 +name: catecholamine +is_a: CHEBI:25375 ! monoamine molecular messenger +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:64365 ! aralkylamino compound + +[Term] +id: CHEBI:33568 +name: adrenaline +is_a: CHEBI:33567 ! catecholamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:33569 +name: noradrenaline +is_a: CHEBI:33567 ! catecholamine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:33570 +name: benzenediols +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:33571 +name: (S)-noradrenaline +is_a: CHEBI:33569 ! noradrenaline + +[Term] +id: CHEBI:33572 +name: resorcinols +is_a: CHEBI:33570 ! benzenediols + +[Term] +id: CHEBI:33573 +name: tetrol +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:33574 +name: 4-methylthio-2-oxobutanoic acid +is_a: CHEBI:134529 ! omega-(methylthio)-2-oxocarboxylic acid + +[Term] +id: CHEBI:33575 +name: carboxylic acid +is_a: CHEBI:35605 ! carbon oxoacid +is_a: CHEBI:36586 ! carbonyl compound +is_a: CHEBI:64709 ! organic acid +relationship: has_part CHEBI:46883 ! carboxy group + +[Term] +id: CHEBI:33576 +name: sulfur-containing carboxylic acid +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:33579 +name: main group molecular entity +is_a: CHEBI:23367 ! molecular entity +relationship: has_part CHEBI:33318 ! main group element atom + +[Term] +id: CHEBI:33581 +name: boron group molecular entity +is_a: CHEBI:33675 ! p-block molecular entity +relationship: has_part CHEBI:33317 ! boron group element atom + +[Term] +id: CHEBI:33582 +name: carbon group molecular entity +is_a: CHEBI:33675 ! p-block molecular entity +relationship: has_part CHEBI:33306 ! carbon group element atom + +[Term] +id: CHEBI:33585 +name: lead molecular entity +is_a: CHEBI:33582 ! carbon group molecular entity +relationship: has_part CHEBI:25016 ! lead atom + +[Term] +id: CHEBI:3359 +name: cannabidiolic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:67196 ! phytocannabinoid + +[Term] +id: CHEBI:33595 +name: cyclic compound +is_a: CHEBI:25367 ! molecule + +[Term] +id: CHEBI:33596 +name: inorganic heterocyclic compound +is_a: CHEBI:5686 ! heterocyclic compound + +[Term] +id: CHEBI:33597 +name: homocyclic compound +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:33598 +name: carbocyclic compound +is_a: CHEBI:33597 ! homocyclic compound +is_a: CHEBI:33832 ! organic cyclic compound + +[Term] +id: CHEBI:33599 +name: spiro compound +is_a: CHEBI:33635 ! polycyclic compound + +[Term] +id: CHEBI:33608 +name: hydrogen molecular entity +is_a: CHEBI:33674 ! s-block molecular entity +relationship: has_part CHEBI:49637 ! hydrogen atom + +[Term] +id: CHEBI:33613 +name: 2,2-bis(4-hydroxyphenyl)propan-1-ol +is_a: CHEBI:22901 ! bisphenol +is_a: CHEBI:26279 ! propan-1-ols + +[Term] +id: CHEBI:33619 +name: boron oxoanion +is_a: CHEBI:22916 ! boron molecular entity +is_a: CHEBI:35406 ! oxoanion + +[Term] +id: CHEBI:3362 +name: canthaxanthin +is_a: CHEBI:35310 ! carotenone +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77182 ! food colouring + +[Term] +id: CHEBI:33620 +name: aluminium molecular entity +is_a: CHEBI:33581 ! boron group molecular entity +relationship: has_part CHEBI:28984 ! aluminium atom + +[Term] +id: CHEBI:33624 +name: bromophenol +is_a: CHEBI:37149 ! bromobenzenes +is_a: CHEBI:38856 ! halophenol + +[Term] +id: CHEBI:33625 +name: dibromophenol +is_a: CHEBI:33624 ! bromophenol + +[Term] +id: CHEBI:33628 +name: elemental aluminium +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33620 ! aluminium molecular entity + +[Term] +id: CHEBI:33635 +name: polycyclic compound +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:33636 +name: bicyclic compound +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:33637 +name: ortho-fused compound +is_a: CHEBI:35293 ! fused compound + +[Term] +id: CHEBI:33639 +name: ortho- and peri-fused compound +is_a: CHEBI:35293 ! fused compound + +[Term] +id: CHEBI:33641 +name: olefin +is_a: CHEBI:24632 ! hydrocarbon +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:33642 +name: cyclic olefin +is_a: CHEBI:33641 ! olefin +is_a: CHEBI:33654 ! alicyclic compound + +[Term] +id: CHEBI:33643 +name: cycloalkene +is_a: CHEBI:33664 ! monocyclic hydrocarbon +is_a: CHEBI:36403 ! monocyclic olefin + +[Term] +id: CHEBI:33644 +name: acetylenes +is_a: CHEBI:24632 ! hydrocarbon +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:33645 +name: acyclic olefin +is_a: CHEBI:33641 ! olefin + +[Term] +id: CHEBI:33646 +name: alkadiene +is_a: CHEBI:33645 ! acyclic olefin + +[Term] +id: CHEBI:33647 +name: alkatriene +is_a: CHEBI:33645 ! acyclic olefin + +[Term] +id: CHEBI:33650 +name: acyclic acetylene +is_a: CHEBI:33644 ! acetylenes + +[Term] +id: CHEBI:33653 +name: aliphatic compound +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:33654 +name: alicyclic compound +is_a: CHEBI:33598 ! carbocyclic compound +is_a: CHEBI:33653 ! aliphatic compound + +[Term] +id: CHEBI:33655 +name: aromatic compound +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:33658 +name: arene +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:33663 ! cyclic hydrocarbon + +[Term] +id: CHEBI:33659 +name: organic aromatic compound +is_a: CHEBI:33655 ! aromatic compound +is_a: CHEBI:33832 ! organic cyclic compound + +[Term] +id: CHEBI:33661 +name: monocyclic compound +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:33662 +name: annulene +is_a: CHEBI:33664 ! monocyclic hydrocarbon + +[Term] +id: CHEBI:33663 +name: cyclic hydrocarbon +is_a: CHEBI:24632 ! hydrocarbon +is_a: CHEBI:33598 ! carbocyclic compound + +[Term] +id: CHEBI:33664 +name: monocyclic hydrocarbon +is_a: CHEBI:33663 ! cyclic hydrocarbon + +[Term] +id: CHEBI:33666 +name: polycyclic hydrocarbon +is_a: CHEBI:33663 ! cyclic hydrocarbon +is_a: CHEBI:35294 ! carbopolycyclic compound + +[Term] +id: CHEBI:33670 +name: heteromonocyclic compound +is_a: CHEBI:33661 ! monocyclic compound +is_a: CHEBI:5686 ! heterocyclic compound + +[Term] +id: CHEBI:33671 +name: heteropolycyclic compound +is_a: CHEBI:33635 ! polycyclic compound +is_a: CHEBI:5686 ! heterocyclic compound + +[Term] +id: CHEBI:33672 +name: heterobicyclic compound +is_a: CHEBI:33636 ! bicyclic compound +is_a: CHEBI:5686 ! heterocyclic compound + +[Term] +id: CHEBI:33673 +name: zinc group molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33340 ! zinc group element atom + +[Term] +id: CHEBI:33674 +name: s-block molecular entity +is_a: CHEBI:33579 ! main group molecular entity +relationship: has_part CHEBI:33559 ! s-block element atom + +[Term] +id: CHEBI:33675 +name: p-block molecular entity +is_a: CHEBI:33579 ! main group molecular entity +relationship: has_part CHEBI:33560 ! p-block element atom + +[Term] +id: CHEBI:33676 +name: d-block molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +relationship: has_part CHEBI:33561 ! d-block element atom + +[Term] +id: CHEBI:33692 +name: hydrides +is_a: CHEBI:33608 ! hydrogen molecular entity +is_a: CHEBI:37577 ! heteroatomic molecular entity + +[Term] +id: CHEBI:33693 +name: oxygen hydride +is_a: CHEBI:36902 ! chalcogen hydride + +[Term] +id: CHEBI:33694 +name: biomacromolecule +is_a: CHEBI:33839 ! macromolecule +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:33695 +name: information biomacromolecule +is_a: CHEBI:33694 ! biomacromolecule + +[Term] +id: CHEBI:33696 +name: nucleic acid +is_a: CHEBI:15986 ! polynucleotide +relationship: has_part CHEBI:33791 ! canonical nucleoside residue +relationship: has_part CHEBI:50297 ! canonical nucleotide residue + +[Term] +id: CHEBI:33697 +name: ribonucleic acid +is_a: CHEBI:33696 ! nucleic acid +relationship: has_part CHEBI:33792 ! canonical ribonucleoside residue +relationship: has_part CHEBI:50299 ! canonical ribonucleotide residue + +[Term] +id: CHEBI:33699 +name: messenger RNA +is_a: CHEBI:33697 ! ribonucleic acid + +[Term] +id: CHEBI:33700 +name: proteinogenic amino-acid residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:33702 +name: polyatomic cation +is_a: CHEBI:36358 ! polyatomic ion +is_a: CHEBI:36916 ! cation + +[Term] +id: CHEBI:33703 +name: amino-acid cation +is_a: CHEBI:33702 ! polyatomic cation + +[Term] +id: CHEBI:33704 +name: alpha-amino acid +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:33706 +name: beta-amino acid +is_a: CHEBI:83820 ! non-proteinogenic amino acid + +[Term] +id: CHEBI:33707 +name: gamma-amino acid +is_a: CHEBI:83820 ! non-proteinogenic amino acid + +[Term] +id: CHEBI:33708 +name: amino-acid residue +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:33709 +name: amino acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:33710 +name: alpha-amino-acid residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:33711 +name: C-terminal amino-acid residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:33712 +name: N-terminal amino-acid residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:33713 +name: C-terminal alpha-amino-acid residue +is_a: CHEBI:33710 ! alpha-amino-acid residue +is_a: CHEBI:33711 ! C-terminal amino-acid residue + +[Term] +id: CHEBI:33715 +name: N-terminal alpha-amino-acid residue +is_a: CHEBI:33710 ! alpha-amino-acid residue +is_a: CHEBI:33712 ! N-terminal amino-acid residue + +[Term] +id: CHEBI:33716 +name: N-terminal proteinogenic amino-acid residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:33715 ! N-terminal alpha-amino-acid residue + +[Term] +id: CHEBI:33717 +name: C-terminal proteinogenic amino-acid residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:33713 ! C-terminal alpha-amino-acid residue + +[Term] +id: CHEBI:33719 +name: alpha-amino-acid cation +is_a: CHEBI:33703 ! amino-acid cation + +[Term] +id: CHEBI:33720 +name: carbohydrate acid +is_a: CHEBI:16646 ! carbohydrate +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:33721 +name: carbohydrate acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:33722 +name: tetra-mu3-sulfido-tetrairon(2+) +is_a: CHEBI:49883 ! tetra-mu3-sulfido-tetrairon + +[Term] +id: CHEBI:33723 +name: tetra-mu3-sulfido-tetrairon(1+) +is_a: CHEBI:49883 ! tetra-mu3-sulfido-tetrairon + +[Term] +id: CHEBI:33726 +name: proteinogenic amino-acid residue anion +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:33727 +name: proteinogenic amino-acid residue cation +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:33728 +name: proteinogenic amino-acid residue radical +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:35417 ! alpha-amino-acid residue radical + +[Term] +id: CHEBI:33729 +name: tetritol +is_a: CHEBI:17522 ! alditol + +[Term] +id: CHEBI:33731 +name: cluster +is_a: CHEBI:36357 ! polyatomic entity + +[Term] +id: CHEBI:33733 +name: heteronuclear cluster +is_a: CHEBI:33731 ! cluster + +[Term] +id: CHEBI:33737 +name: di-mu-sulfido-diiron(2+) +is_a: CHEBI:49601 ! Fe2S2 iron-sulfur cluster + +[Term] +id: CHEBI:33738 +name: di-mu-sulfido-diiron(1+) +is_a: CHEBI:49601 ! Fe2S2 iron-sulfur cluster + +[Term] +id: CHEBI:33741 +name: chromium group molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33350 ! chromium group element atom + +[Term] +id: CHEBI:33742 +name: tungsten molecular entity +is_a: CHEBI:33741 ! chromium group molecular entity +relationship: has_part CHEBI:27998 ! tungsten + +[Term] +id: CHEBI:33743 +name: manganese group molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33352 ! manganese group element atom + +[Term] +id: CHEBI:33744 +name: iron group molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33356 ! iron group element atom + +[Term] +id: CHEBI:33745 +name: copper group molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33366 ! copper group element atom + +[Term] +id: CHEBI:33746 +name: vanadium group molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33347 ! vanadium group element atom + +[Term] +id: CHEBI:33747 +name: nickel group molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33362 ! nickel group element atom + +[Term] +id: CHEBI:33748 +name: nickel molecular entity +is_a: CHEBI:33747 ! nickel group molecular entity +relationship: has_part CHEBI:28112 ! nickel atom + +[Term] +id: CHEBI:33749 +name: platinum molecular entity +is_a: CHEBI:33747 ! nickel group molecular entity +relationship: has_part CHEBI:33364 ! platinum + +[Term] +id: CHEBI:3375 +name: capsanthin +is_a: CHEBI:35310 ! carotenone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33752 +name: hexonic acid +is_a: CHEBI:22301 ! aldonic acid + +[Term] +id: CHEBI:33753 +name: pentonic acid +is_a: CHEBI:22301 ! aldonic acid + +[Term] +id: CHEBI:33754 +name: trionic acid +is_a: CHEBI:22301 ! aldonic acid + +[Term] +id: CHEBI:33755 +name: tetronic acid +is_a: CHEBI:22301 ! aldonic acid + +[Term] +id: CHEBI:33760 +name: hexonate +is_a: CHEBI:22299 ! aldonate + +[Term] +id: CHEBI:33761 +name: pentonate +is_a: CHEBI:22299 ! aldonate + +[Term] +id: CHEBI:33762 +name: tetronate +is_a: CHEBI:22299 ! aldonate + +[Term] +id: CHEBI:33763 +name: trionate +is_a: CHEBI:22299 ! aldonate + +[Term] +id: CHEBI:33764 +name: arabinonates +is_a: CHEBI:33761 ! pentonate + +[Term] +id: CHEBI:33767 +name: cobalt group molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33676 ! d-block molecular entity +relationship: has_part CHEBI:33358 ! cobalt group element atom + +[Term] +id: CHEBI:33769 +name: fuconates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:33772 +name: gluconic acid derivative +is_a: CHEBI:33752 ! hexonic acid + +[Term] +id: CHEBI:33778 +name: galactonates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:3378 +name: capsorubin +is_a: CHEBI:35310 ! carotenone + +[Term] +id: CHEBI:33791 +name: canonical nucleoside residue +is_a: CHEBI:50320 ! nucleoside residue + +[Term] +id: CHEBI:33792 +name: canonical ribonucleoside residue +is_a: CHEBI:33791 ! canonical nucleoside residue + +[Term] +id: CHEBI:33793 +name: canonical deoxyribonucleoside residue +is_a: CHEBI:33791 ! canonical nucleoside residue + +[Term] +id: CHEBI:33797 +name: glucaric acid derivative +is_a: CHEBI:63438 ! hexaric acid derivative + +[Term] +id: CHEBI:33798 +name: tetraric acid anion +is_a: CHEBI:22289 ! aldaric acid anion + +[Term] +id: CHEBI:33801 +name: D-glucarate(1-) +is_a: CHEBI:35392 ! glucarate(1-) + +[Term] +id: CHEBI:33804 +name: gluconates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:33805 +name: 2-amino-2-deoxy-D-gluconate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:33808 +name: galacturonic acids +is_a: CHEBI:24592 ! hexuronic acid + +[Term] +id: CHEBI:3381 +name: (-)-car-3-ene +is_a: CHEBI:35661 ! car-3-ene + +[Term] +id: CHEBI:33812 +name: galacturonates +is_a: CHEBI:24591 ! hexuronate + +[Term] +id: CHEBI:33820 +name: iduronate +is_a: CHEBI:24768 ! iduronates + +[Term] +id: CHEBI:33821 +name: mannuronate +is_a: CHEBI:25175 ! mannuronates + +[Term] +id: CHEBI:33822 +name: organic hydroxy compound +is_a: CHEBI:24651 ! hydroxides +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:33823 +name: enol +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:33828 +name: xylonic acid +is_a: CHEBI:33753 ! pentonic acid + +[Term] +id: CHEBI:33830 +name: galacturonic acid +is_a: CHEBI:33808 ! galacturonic acids +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:33832 +name: organic cyclic compound +is_a: CHEBI:33595 ! cyclic compound +is_a: CHEBI:72695 ! organic molecule + +[Term] +id: CHEBI:33833 +name: heteroarene +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:33835 +name: anthrone +is_a: CHEBI:46955 ! anthracenes +relationship: has_role CHEBI:48578 ! radical scavenger + +[Term] +id: CHEBI:33836 +name: benzenoid aromatic compound +is_a: CHEBI:33598 ! carbocyclic compound +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:33837 +name: conjugated protein +is_a: CHEBI:36080 ! protein + +[Term] +id: CHEBI:33838 +name: nucleoside +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:26912 ! oxolanes +is_a: CHEBI:61120 ! nucleobase-containing molecular entity + +[Term] +id: CHEBI:33839 +name: macromolecule +is_a: CHEBI:36357 ! polyatomic entity + +[Term] +id: CHEBI:33842 +name: aromatic annulene +is_a: CHEBI:33662 ! annulene +is_a: CHEBI:33847 ! monocyclic arene + +[Term] +id: CHEBI:33843 +name: arabinonic acid derivative +is_a: CHEBI:63454 ! pentonic acid derivative + +[Term] +id: CHEBI:33845 +name: xylonic acid derivative +is_a: CHEBI:63454 ! pentonic acid derivative + +[Term] +id: CHEBI:33847 +name: monocyclic arene +is_a: CHEBI:33658 ! arene + +[Term] +id: CHEBI:33848 +name: polycyclic arene +is_a: CHEBI:33658 ! arene +is_a: CHEBI:33666 ! polycyclic hydrocarbon +relationship: has_role CHEBI:138015 ! endocrine disruptor +relationship: has_role CHEBI:50903 ! carcinogenic agent + +[Term] +id: CHEBI:33853 +name: phenols +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:33822 ! organic hydroxy compound + +[Term] +id: CHEBI:33854 +name: aromatic alcohol +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:33855 +name: arenecarbaldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:33856 +name: aromatic amino acid +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:33857 +name: aromatic primary alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:33854 ! aromatic alcohol + +[Term] +id: CHEBI:33859 +name: aromatic carboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:33860 +name: aromatic amine +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:33861 +name: transition element coordination entity +is_a: CHEBI:33240 ! coordination entity +is_a: CHEBI:33497 ! transition element molecular entity + +[Term] +id: CHEBI:33862 +name: platinum coordination entity +is_a: CHEBI:33749 ! platinum molecular entity +is_a: CHEBI:33861 ! transition element coordination entity + +[Term] +id: CHEBI:33864 +name: gulonates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:33865 +name: rhamnonates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:33866 +name: mannonates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:33867 +name: idonates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:33868 +name: altronates +is_a: CHEBI:33760 ! hexonate + +[Term] +id: CHEBI:33869 +name: ribonates +is_a: CHEBI:33761 ! pentonate + +[Term] +id: CHEBI:33871 +name: glycerate +is_a: CHEBI:24347 ! glycerates +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:33883 +name: fructuronic acids +is_a: CHEBI:24592 ! hexuronic acid + +[Term] +id: CHEBI:33885 +name: alpha-D-galacturonic acid +is_a: CHEBI:4153 ! D-galactopyranuronic acid + +[Term] +id: CHEBI:33886 +name: glucuronic acids +is_a: CHEBI:24592 ! hexuronic acid + +[Term] +id: CHEBI:33888 +name: cobalt molecular entity +is_a: CHEBI:33767 ! cobalt group molecular entity +relationship: has_part CHEBI:27638 ! cobalt atom + +[Term] +id: CHEBI:33890 +name: cobalt coordination entity +is_a: CHEBI:33861 ! transition element coordination entity +is_a: CHEBI:33888 ! cobalt molecular entity + +[Term] +id: CHEBI:33892 +name: iron coordination entity +is_a: CHEBI:24873 ! iron molecular entity +is_a: CHEBI:33861 ! transition element coordination entity + +[Term] +id: CHEBI:33893 +name: reagent +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:33897 +name: iduronic acids +is_a: CHEBI:24592 ! hexuronic acid + +[Term] +id: CHEBI:33898 +name: mannuronic acids +is_a: CHEBI:24592 ! hexuronic acid + +[Term] +id: CHEBI:33899 +name: tagaturonic acids +is_a: CHEBI:24592 ! hexuronic acid + +[Term] +id: CHEBI:33900 +name: tagaturonate +is_a: CHEBI:24591 ! hexuronate + +[Term] +id: CHEBI:33901 +name: fructuronates +is_a: CHEBI:24591 ! hexuronate + +[Term] +id: CHEBI:33903 +name: glucuronates +is_a: CHEBI:24591 ! hexuronate + +[Term] +id: CHEBI:33905 +name: heptose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:33906 +name: cobalt corrinoid +is_a: CHEBI:33890 ! cobalt coordination entity +is_a: CHEBI:33909 ! metallotetrapyrrole +is_a: CHEBI:33913 ! corrinoid + +[Term] +id: CHEBI:33907 +name: cob(III)yrinic acid +is_a: CHEBI:23389 ! cobalt-corrinoid heptacarboxylic acid +is_a: CHEBI:52500 ! cobyrinic acid + +[Term] +id: CHEBI:33909 +name: metallotetrapyrrole +is_a: CHEBI:36309 ! cyclic tetrapyrrole + +[Term] +id: CHEBI:3391 +name: carbazole +is_a: CHEBI:36416 ! mancude organic heterotricyclic parent +is_a: CHEBI:38180 ! polycyclic heteroarene +is_a: CHEBI:48513 ! carbazoles + +[Term] +id: CHEBI:33913 +name: corrinoid +is_a: CHEBI:36309 ! cyclic tetrapyrrole + +[Term] +id: CHEBI:33914 +name: aldotriose +is_a: CHEBI:15693 ! aldose +is_a: CHEBI:27137 ! triose + +[Term] +id: CHEBI:33915 +name: aldotetrose +is_a: CHEBI:15693 ! aldose +is_a: CHEBI:26938 ! tetrose + +[Term] +id: CHEBI:33916 +name: aldopentose +is_a: CHEBI:15693 ! aldose +is_a: CHEBI:25901 ! pentose + +[Term] +id: CHEBI:33917 +name: aldohexose +is_a: CHEBI:15693 ! aldose +is_a: CHEBI:18133 ! hexose + +[Term] +id: CHEBI:3392 +name: carbendazim +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:87036 ! benzimidazole fungicide +is_a: CHEBI:87064 ! benzimidazolylcarbamate fungicide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35444 ! antinematodal drug +relationship: has_role CHEBI:61951 ! microtubule-destabilising agent +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:33920 +name: ketoaldose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:33921 +name: ketoaldohexose +is_a: CHEBI:18133 ! hexose +is_a: CHEBI:33920 ! ketoaldose + +[Term] +id: CHEBI:33922 +name: sugar dianhydride +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:33926 +name: dialdose +is_a: CHEBI:35381 ! monosaccharide + +[Term] +id: CHEBI:33937 +name: macronutrient +is_a: CHEBI:33284 ! nutrient + +[Term] +id: CHEBI:33942 +name: ribose +is_a: CHEBI:33916 ! aldopentose + +[Term] +id: CHEBI:33946 +name: erythrose +is_a: CHEBI:23957 ! erythroses + +[Term] +id: CHEBI:33947 +name: threose +is_a: CHEBI:26992 ! threoses + +[Term] +id: CHEBI:33949 +name: ketoheptose +is_a: CHEBI:24978 ! ketose +is_a: CHEBI:33905 ! heptose + +[Term] +id: CHEBI:33951 +name: psicose +is_a: CHEBI:24973 ! ketohexose +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:35679 ! antilipemic drug +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33952 +name: sorbose derivative +is_a: CHEBI:63401 ! ketooctose derivative + +[Term] +id: CHEBI:33953 +name: tagatose derivative +is_a: CHEBI:63391 ! ketohexose derivative + +[Term] +id: CHEBI:33954 +name: tagatose +is_a: CHEBI:24973 ! ketohexose + +[Term] +id: CHEBI:33956 +name: ribulose derivative +is_a: CHEBI:63405 ! ketopentose derivative + +[Term] +id: CHEBI:33957 +name: xylulose derivative +is_a: CHEBI:63405 ! ketopentose derivative + +[Term] +id: CHEBI:33958 +name: halide salt +is_a: CHEBI:24866 ! salt +is_a: CHEBI:37578 ! halide +relationship: has_part CHEBI:16042 ! halide anion + +[Term] +id: CHEBI:33964 +name: silver molecular entity +is_a: CHEBI:33745 ! copper group molecular entity +relationship: has_part CHEBI:30512 ! silver atom + +[Term] +id: CHEBI:33966 +name: elemental silver +is_a: CHEBI:33964 ! silver molecular entity + +[Term] +id: CHEBI:33969 +name: gold molecular entity +is_a: CHEBI:33745 ! copper group molecular entity +relationship: has_part CHEBI:29287 ! gold atom + +[Term] +id: CHEBI:33970 +name: elemental gold +is_a: CHEBI:33969 ! gold molecular entity + +[Term] +id: CHEBI:33973 +name: elemental magnesium +is_a: CHEBI:25108 ! magnesium molecular entity + +[Term] +id: CHEBI:33976 +name: magnesium coordination entity +is_a: CHEBI:25108 ! magnesium molecular entity +is_a: CHEBI:35217 ! alkaline earth coordination entity + +[Term] +id: CHEBI:33980 +name: quinovose +is_a: CHEBI:23623 ! deoxyglucose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:33983 +name: deoxymannose +is_a: CHEBI:23628 ! deoxyhexose + +[Term] +id: CHEBI:33984 +name: fucose +is_a: CHEBI:18133 ! hexose +is_a: CHEBI:23622 ! deoxygalactose + +[Term] +id: CHEBI:33985 +name: muramates +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:33986 +name: muramate +is_a: CHEBI:33985 ! muramates + +[Term] +id: CHEBI:33992 +name: (-)-catechin +is_a: CHEBI:23053 ! catechin +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:34002 +name: (3S)-3-Hydroxyadipyl-CoA +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:34008 +name: (R)-3-hydroxy-3-methyl-2-oxopentanoic acid +is_a: CHEBI:28710 ! 3-hydroxy-3-methyl-2-oxopentanoic acid + +[Term] +id: CHEBI:34047 +name: 1,2-dihydrostilbene +is_a: CHEBI:51571 ! diphenylethane + +[Term] +id: CHEBI:34063 +name: naphthalene-1,4-diol +is_a: CHEBI:38133 ! naphthalenediol +is_a: CHEBI:51475 ! naphthohydroquinone + +[Term] +id: CHEBI:34071 +name: 1-arachidonoyl-sn-glycerol +is_a: CHEBI:64683 ! 1-acyl-sn-glycerol +is_a: CHEBI:75612 ! 1-arachidonoylglycerol + +[Term] +id: CHEBI:34080 +name: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:340863 +name: 2-phospholactic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate + +[Term] +id: CHEBI:34115 +name: 1-O-hexadecyl-sn-glycerol +is_a: CHEBI:15850 ! 1-O-alkyl-sn-glycerol +is_a: CHEBI:76061 ! 1-O-palmitylglycerol + +[Term] +id: CHEBI:34116 +name: (9Z)-1-O-octadec-9-enyl glycerol +is_a: CHEBI:52575 ! alkylglycerol + +[Term] +id: CHEBI:34117 +name: batilol +is_a: CHEBI:52575 ! alkylglycerol + +[Term] +id: CHEBI:34126 +name: 11(R)-HETE +is_a: CHEBI:72606 ! 11-HETE + +[Term] +id: CHEBI:34127 +name: 11(R)-HPETE +is_a: CHEBI:24644 ! HPETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34130 +name: 11,12-EET +is_a: CHEBI:64007 ! EET +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:34133 +name: 11-oxotestosterone +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite + +[Term] +id: CHEBI:34144 +name: 12(R)-HETE +is_a: CHEBI:84447 ! (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid + +[Term] +id: CHEBI:34145 +name: 12(R)-HPETE +is_a: CHEBI:24644 ! HPETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34146 +name: 12(S)-HETE +is_a: CHEBI:36275 ! HETE +is_a: CHEBI:84447 ! (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid +relationship: has_role CHEBI:50927 ! angiogenesis inducing agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:34151 +name: 12-oxo-ETE +is_a: CHEBI:61704 ! oxoicosatetraenoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34154 +name: 13(S)-HODE +is_a: CHEBI:36328 ! HODE +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:34157 +name: 14,15-EET +is_a: CHEBI:64007 ! EET +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34159 +name: 15-deoxy-Delta(12,14)-prostaglandin J2 +is_a: CHEBI:26346 ! prostaglandins J +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50864 ! insulin-sensitizing drug +relationship: has_role CHEBI:59739 ! electrophilic reagent + +[Term] +id: CHEBI:34162 +name: 16(R)-HETE +is_a: CHEBI:63994 ! 16-HETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34172 +name: 16alpha-hydroxytestosterone +is_a: CHEBI:131621 ! C19-steroid +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen + +[Term] +id: CHEBI:34227 +name: 2,3-di-O-phytanyl-sn-glycerol +is_a: CHEBI:37812 ! dialkylglycerol + +[Term] +id: CHEBI:34238 +name: 2,4-dibromophenol +is_a: CHEBI:33624 ! bromophenol +is_a: CHEBI:37147 ! dibromobenzene +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:79314 ! flame retardant + +[Term] +id: CHEBI:3424 +name: carnitinium +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:34306 +name: 20-HETE +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:34310 +name: (24S)-24-hydroxycholesterol +is_a: CHEBI:50515 ! 24-hydroxycholesterol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:34311 +name: 27-O-demethylrifamycin SV +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:26580 ! rifamycins +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:51026 ! macrocycle +is_a: CHEBI:59779 ! cyclic ketal +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:34317 +name: 3,3',4,4',5-pentachlorobiphenyl +is_a: CHEBI:27096 ! trichlorobenzene +is_a: CHEBI:36721 ! pentachlorobiphenyl + +[Term] +id: CHEBI:34342 +name: 3-methylcholanthrene +is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:72768 ! aryl hydrocarbon receptor agonist + +[Term] +id: CHEBI:34368 +name: stilbene-4,4'-diol +is_a: CHEBI:36027 ! stilbenol + +[Term] +id: CHEBI:34450 +name: 5,6-EET +is_a: CHEBI:64007 ! EET +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34477 +name: 6beta-hydroxytestosterone +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:34483 +name: 7-hydroxyflavanone +is_a: CHEBI:38748 ! monohydroxyflavanone + +[Term] +id: CHEBI:34485 +name: 8(R)-HPODE +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:36329 ! HPODE + +[Term] +id: CHEBI:34487 +name: 8(S)-HPETE +is_a: CHEBI:24644 ! HPETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34490 +name: 8,9-EET +is_a: CHEBI:64007 ! EET +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:34494 +name: 9(10)-EpOME +is_a: CHEBI:72659 ! epoxyoctadecenoic acid + +[Term] +id: CHEBI:34496 +name: 9(S)-HODE +is_a: CHEBI:72651 ! 9-HODE + +[Term] +id: CHEBI:34498 +name: 9(S)-HPODE +is_a: CHEBI:36329 ! HPODE +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:34528 +name: adipoyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA + +[Term] +id: CHEBI:34584 +name: boldenone +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:50786 ! anabolic androgenic steroid +is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid + +[Term] +id: CHEBI:34596 +name: (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al +is_a: CHEBI:51972 ! 12'-apo-carotenal + +[Term] +id: CHEBI:34597 +name: (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al +is_a: CHEBI:51972 ! 12'-apo-carotenal + +[Term] +id: CHEBI:34687 +name: dibutyl phthalate +is_a: CHEBI:35484 ! phthalate ester +is_a: CHEBI:51307 ! diester +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant +relationship: has_role CHEBI:79056 ! plasticiser + +[Term] +id: CHEBI:34718 +name: 1-chloro-2,4-dinitrobenzene +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:139492 ! sensitiser +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:34768 +name: furfural +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24129 ! furans +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:77523 ! Maillard reaction product + +[Term] +id: CHEBI:34779 +name: glyoxal +is_a: CHEBI:38124 ! dialdehyde +relationship: has_role CHEBI:25944 ! pesticide +relationship: has_role CHEBI:33286 ! agrochemical +relationship: has_role CHEBI:50904 ! allergen + +[Term] +id: CHEBI:34784 +name: hepoxilin B3 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36200 ! hepoxilin +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:34787 +name: heptanal +is_a: CHEBI:12834 ! n-alkanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +relationship: has_role CHEBI:59163 ! biomarker + +[Term] +id: CHEBI:34848 +name: mevastatin +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:75885 ! 2-pyranones +is_a: CHEBI:87632 ! statin (naturally occurring) +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76964 ! Penicillium metabolite +relationship: has_role CHEBI:77255 ! EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor + +[Term] +id: CHEBI:34862 +name: N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine +is_a: CHEBI:52639 ! N-acylsphingosine + +[Term] +id: CHEBI:34892 +name: nocodazole +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:26961 ! thiophenes +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:60832 ! tubulin modulator +relationship: has_role CHEBI:61951 ! microtubule-destabilising agent +relationship: has_role CHEBI:64911 ! antimitotic + +[Term] +id: CHEBI:34905 +name: paraquat +is_a: CHEBI:25697 ! organic cation +relationship: has_role CHEBI:24527 ! herbicide + +[Term] +id: CHEBI:34911 +name: permethrin +is_a: CHEBI:50351 ! cyclopropanecarboxylate ester +is_a: CHEBI:51454 ! cyclopropanes +relationship: has_role CHEBI:33286 ! agrochemical +relationship: has_role CHEBI:38956 ! ectoparasiticide +relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide +relationship: has_role CHEBI:39259 ! pyrethroid ester acaricide +relationship: has_role CHEBI:73333 ! scabicide + +[Term] +id: CHEBI:34939 +name: prostaglandin D3 +is_a: CHEBI:26337 ! prostaglandins D +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35008 +name: tetralin +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon +is_a: CHEBI:36786 ! tetralins + +[Term] +id: CHEBI:35020 +name: tributyrin +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:50477 ! butyrate ester +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:50267 ! protective agent +relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor +relationship: has_role CHEBI:68495 ! apoptosis inducer + +[Term] +id: CHEBI:35026 +name: triethylamine +is_a: CHEBI:32876 ! tertiary amine + +[Term] +id: CHEBI:35032 +name: trioxilin B3 +is_a: CHEBI:36201 ! trioxilin + +[Term] +id: CHEBI:350546 +name: serotonin(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35063 +name: alpha-zeacarotene +is_a: CHEBI:139115 ! carotenoid epsilon-end group +is_a: CHEBI:35163 ! cyclic carotene + +[Term] +id: CHEBI:35106 +name: nitrogen hydride +is_a: CHEBI:35881 ! pnictogen hydride +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:35107 +name: azane +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:35113 +name: elemental mercury +is_a: CHEBI:25196 ! mercury molecular entity + +[Term] +id: CHEBI:35114 +name: 3-isopropylmalic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:35115 +name: elemental manganese +is_a: CHEBI:25154 ! manganese molecular entity + +[Term] +id: CHEBI:35121 +name: (2R,3S)-3-isopropylmalate(2-) +is_a: CHEBI:15592 ! 3-isopropylmalate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:35128 +name: (2S)-2-isopropylmalic acid +is_a: CHEBI:28635 ! 2-isopropylmalic acid + +[Term] +id: CHEBI:35131 +name: aldose phosphate +is_a: CHEBI:33447 ! phospho sugar + +[Term] +id: CHEBI:35132 +name: ketose phosphate +is_a: CHEBI:33447 ! phospho sugar + +[Term] +id: CHEBI:35133 +name: ketoheptose phosphate +is_a: CHEBI:35132 ! ketose phosphate + +[Term] +id: CHEBI:35134 +name: metalloprotein +is_a: CHEBI:33837 ! conjugated protein + +[Term] +id: CHEBI:35135 +name: iron-sulfur protein +is_a: CHEBI:35136 ! iron protein +relationship: has_part CHEBI:30408 ! iron-sulfur cluster + +[Term] +id: CHEBI:35136 +name: iron protein +is_a: CHEBI:35134 ! metalloprotein + +[Term] +id: CHEBI:35137 +name: hemoprotein +is_a: CHEBI:35136 ! iron protein +relationship: has_part CHEBI:30413 ! heme + +[Term] +id: CHEBI:35138 +name: aldotetrose phosphate +is_a: CHEBI:35131 ! aldose phosphate + +[Term] +id: CHEBI:35139 +name: uronic acid phosphate +is_a: CHEBI:33447 ! phospho sugar + +[Term] +id: CHEBI:35142 +name: aldotriose phosphate +is_a: CHEBI:35131 ! aldose phosphate + +[Term] +id: CHEBI:35143 +name: hemoglobin +is_a: CHEBI:5386 ! globin + +[Term] +id: CHEBI:35145 +name: D-glucuronic acid 1-phosphate +is_a: CHEBI:35139 ! uronic acid phosphate + +[Term] +id: CHEBI:35146 +name: (S)-3-methyl-2-oxovalerate +is_a: CHEBI:28654 ! 3-methyl-2-oxovalerate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:35147 +name: (6'R)-beta,epsilon-carotene +is_a: CHEBI:28425 ! alpha-carotene + +[Term] +id: CHEBI:35148 +name: (6'S)-beta,epsilon-carotene +is_a: CHEBI:28425 ! alpha-carotene + +[Term] +id: CHEBI:35155 +name: elemental calcium +is_a: CHEBI:22985 ! calcium molecular entity + +[Term] +id: CHEBI:35157 +name: aldoheptose phosphate +is_a: CHEBI:35131 ! aldose phosphate + +[Term] +id: CHEBI:35158 +name: ribose bisphosphate +is_a: CHEBI:26562 ! ribose phosphate + +[Term] +id: CHEBI:35159 +name: ribose monophosphate +is_a: CHEBI:26562 ! ribose phosphate + +[Term] +id: CHEBI:35160 +name: phosphomethylribose +is_a: CHEBI:26562 ! ribose phosphate + +[Term] +id: CHEBI:35161 +name: deoxyketopentose phosphate +is_a: CHEBI:63351 ! deoxyketopentose derivative + +[Term] +id: CHEBI:35162 +name: acyclic carotene +is_a: CHEBI:23042 ! carotene + +[Term] +id: CHEBI:35163 +name: cyclic carotene +is_a: CHEBI:23042 ! carotene + +[Term] +id: CHEBI:35164 +name: 2,4'-dihydroxyacetophenone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:23776 ! dihydroxyacetophenone +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:35166 +name: vanadium coordination entity +is_a: CHEBI:27275 ! vanadium molecular entity +is_a: CHEBI:33861 ! transition element coordination entity + +[Term] +id: CHEBI:35168 +name: hydrogenvanadate +is_a: CHEBI:30528 ! vanadium oxoanion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:35169 +name: dihydrogenvanadate +is_a: CHEBI:30528 ! vanadium oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:35171 +name: elemental vanadium +is_a: CHEBI:27275 ! vanadium molecular entity + +[Term] +id: CHEBI:35172 +name: vanadium cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:35171 ! elemental vanadium + +[Term] +id: CHEBI:35173 +name: 2-dehydro-3-deoxy-L-arabinonate +is_a: CHEBI:24961 ! ketoaldonate + +[Term] +id: CHEBI:35175 +name: sulfate salt +is_a: CHEBI:24866 ! salt +is_a: CHEBI:26820 ! sulfates + +[Term] +id: CHEBI:35177 +name: 2-oxohexanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion + +[Term] +id: CHEBI:35179 +name: 2-oxo monocarboxylic acid anion +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:35181 +name: 4-amino-4-deoxychorismate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:35184 +name: gluconic acid phosphate +is_a: CHEBI:22300 ! aldonic acid phosphate + +[Term] +id: CHEBI:35186 +name: terpene +is_a: CHEBI:24632 ! hydrocarbon +is_a: CHEBI:24913 ! isoprenoid + +[Term] +id: CHEBI:35187 +name: monoterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:35188 +name: hemiterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:35189 +name: sesquiterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:35190 +name: diterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:35191 +name: triterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:35192 +name: sesterterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:35193 +name: tetraterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:35194 +name: isoprene +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:33646 ! alkadiene +is_a: CHEBI:35188 ! hemiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:35195 +name: surfactant +is_a: CHEBI:63046 ! emulsifier + +[Term] +id: CHEBI:35196 +name: nitrogen oxide +is_a: CHEBI:24836 ! inorganic oxide +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:35202 +name: molybdenum coordination entity +is_a: CHEBI:25370 ! molybdenum molecular entity +is_a: CHEBI:33861 ! transition element coordination entity + +[Term] +id: CHEBI:35203 +name: molybdopterins +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester +is_a: CHEBI:63169 ! pyranopterin + +[Term] +id: CHEBI:35204 +name: tracer +is_a: CHEBI:33232 ! application +relationship: has_part CHEBI:35209 ! label + +[Term] +id: CHEBI:35209 +name: label +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:35213 +name: cyclodepsipeptide +is_a: CHEBI:23643 ! depsipeptide +is_a: CHEBI:25000 ! lactone + +[Term] +id: CHEBI:35217 +name: alkaline earth coordination entity +is_a: CHEBI:33299 ! alkaline earth molecular entity +is_a: CHEBI:36562 ! main-group coordination entity + +[Term] +id: CHEBI:35218 +name: anthocyanin cation +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:47916 ! flavonoid +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:35219 +name: plant growth retardant +is_a: CHEBI:26155 ! plant growth regulator + +[Term] +id: CHEBI:35221 +name: antimetabolite +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:35222 +name: inhibitor +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:35223 +name: catalyst +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:35224 +name: effector +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:35225 +name: buffer +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:35227 +name: 4-nitrotoluene +is_a: CHEBI:63171 ! mononitrotoluene + +[Term] +id: CHEBI:3523 +name: cellodextrin +is_a: CHEBI:23652 ! dextrins +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:35230 +name: fossil fuel +is_a: CHEBI:33292 ! fuel + +[Term] +id: CHEBI:35233 +name: tungsten coordination entity +is_a: CHEBI:33742 ! tungsten molecular entity +is_a: CHEBI:33861 ! transition element coordination entity + +[Term] +id: CHEBI:35235 +name: L-cysteine zwitterion +is_a: CHEBI:35237 ! cysteine zwitterion + +[Term] +id: CHEBI:35236 +name: D-cysteine zwitterion +is_a: CHEBI:35237 ! cysteine zwitterion + +[Term] +id: CHEBI:35237 +name: cysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:35238 +name: amino acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:35239 +name: ADP-sugar +is_a: CHEBI:64711 ! purine nucleotide-sugar + +[Term] +id: CHEBI:35240 +name: nucleotide-alditol +is_a: CHEBI:35241 ! nucleotide-carbohydrate + +[Term] +id: CHEBI:35241 +name: nucleotide-carbohydrate +is_a: CHEBI:47784 ! nucleotide conjugate +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:35242 +name: CDP-D-glucose +is_a: CHEBI:20873 ! CDP-sugar + +[Term] +id: CHEBI:35243 +name: serine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:35244 +name: nucleotide-oligosaccharide +is_a: CHEBI:35241 ! nucleotide-carbohydrate + +[Term] +id: CHEBI:35245 +name: GDP-galactose +is_a: CHEBI:21167 ! GDP-hexose + +[Term] +id: CHEBI:35247 +name: D-serine zwitterion +is_a: CHEBI:35243 ! serine zwitterion + +[Term] +id: CHEBI:35248 +name: dTDP-D-glucose +is_a: CHEBI:15700 ! dTDP-alpha-D-glucose + +[Term] +id: CHEBI:35251 +name: dTDP-mannose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:35252 +name: dTDP-L-mannose +is_a: CHEBI:35251 ! dTDP-mannose + +[Term] +id: CHEBI:35253 +name: dTDP-talose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:35254 +name: dTDP-L-talose +is_a: CHEBI:35253 ! dTDP-talose + +[Term] +id: CHEBI:35256 +name: nucleotide-glycopeptide +is_a: CHEBI:16670 ! peptide + +[Term] +id: CHEBI:35257 +name: UDP-glycopeptide +is_a: CHEBI:35256 ! nucleotide-glycopeptide + +[Term] +id: CHEBI:35258 +name: glyco-amino acid +is_a: CHEBI:33709 ! amino acid +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:35259 +name: benzofurans +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:35262 +name: UDP-amino sugar +is_a: CHEBI:17297 ! UDP-sugar +is_a: CHEBI:28963 ! amino sugar + +[Term] +id: CHEBI:35265 +name: N-phospho-D-lombricine +is_a: CHEBI:17102 ! phosphoramide + +[Term] +id: CHEBI:35266 +name: L-2-succinylamino-6-oxoheptanedioic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:35267 +name: quaternary ammonium ion +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:35269 +name: N-glycosyl amino acid +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35258 ! glyco-amino acid + +[Term] +id: CHEBI:35272 +name: O-glycosyl amino acid +is_a: CHEBI:35258 ! glyco-amino acid + +[Term] +id: CHEBI:35274 +name: ammonium ion +is_a: CHEBI:33702 ! polyatomic cation +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:35275 +name: S-glycosyl compound +is_a: CHEBI:59793 ! monothioacetal +is_a: CHEBI:63161 ! glycosyl compound +is_a: CHEBI:63299 ! carbohydrate derivative +is_a: CHEBI:73754 ! thiosugar + +[Term] +id: CHEBI:35276 +name: ammonium compound +is_a: CHEBI:51143 ! nitrogen molecular entity +relationship: has_part CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:3528 +name: cellotriose +is_a: CHEBI:27150 ! trisaccharide +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:35280 +name: L-proline betaine +is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:22860 ! amino-acid betaine +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:35281 +name: onium betaine +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:35282 +name: sulfonium betaine +is_a: CHEBI:26830 ! sulfonium compound +is_a: CHEBI:35281 ! onium betaine + +[Term] +id: CHEBI:35284 +name: ammonium betaine +is_a: CHEBI:26469 ! quaternary nitrogen compound +is_a: CHEBI:35281 ! onium betaine + +[Term] +id: CHEBI:35285 +name: iminium betaine +is_a: CHEBI:26469 ! quaternary nitrogen compound +is_a: CHEBI:35281 ! onium betaine + +[Term] +id: CHEBI:35286 +name: iminium ion +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:35287 +name: acylcholine +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:35288 +name: all-trans-violaxanthin +is_a: CHEBI:27295 ! violaxanthin +relationship: has_role CHEBI:77182 ! food colouring + +[Term] +id: CHEBI:35290 +name: 1,2-dichlorobenzene +is_a: CHEBI:23697 ! dichlorobenzene +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50908 ! hepatotoxic agent + +[Term] +id: CHEBI:35291 +name: all-trans-retinoate +is_a: CHEBI:15036 ! retinoate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35293 +name: fused compound +is_a: CHEBI:33635 ! polycyclic compound + +[Term] +id: CHEBI:35294 +name: carbopolycyclic compound +is_a: CHEBI:33598 ! carbocyclic compound +is_a: CHEBI:35295 ! homopolycyclic compound + +[Term] +id: CHEBI:35295 +name: homopolycyclic compound +is_a: CHEBI:33597 ! homocyclic compound +is_a: CHEBI:33635 ! polycyclic compound + +[Term] +id: CHEBI:35296 +name: ortho-fused polycyclic arene +is_a: CHEBI:33848 ! polycyclic arene +is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon + +[Term] +id: CHEBI:35297 +name: acene +is_a: CHEBI:35296 ! ortho-fused polycyclic arene +is_a: CHEBI:51269 ! acenes + +[Term] +id: CHEBI:35300 +name: ortho- and peri-fused polycyclic arene +is_a: CHEBI:33639 ! ortho- and peri-fused compound +is_a: CHEBI:33848 ! polycyclic arene + +[Term] +id: CHEBI:35305 +name: 9-cis-violaxanthin +is_a: CHEBI:27295 ! violaxanthin +is_a: CHEBI:51973 ! 9-cis-epoxycarotenoid + +[Term] +id: CHEBI:35306 +name: 9'-cis-neoxanthin +is_a: CHEBI:25501 ! neoxanthin +is_a: CHEBI:51973 ! 9-cis-epoxycarotenoid + +[Term] +id: CHEBI:35307 +name: epoxycarotenol +is_a: CHEBI:23043 ! epoxycarotenoid +is_a: CHEBI:23045 ! carotenol + +[Term] +id: CHEBI:35310 +name: carotenone +is_a: CHEBI:27325 ! xanthophyll + +[Term] +id: CHEBI:35311 +name: carotenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27325 ! xanthophyll + +[Term] +id: CHEBI:35312 +name: pentoside +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:35313 +name: hexoside +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:35314 +name: glycosiduronic acid +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:35315 +name: deoxy hexoside +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:35317 +name: glycosylgalactose +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:35318 +name: glycosylmannose +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:35323 +name: N-substituted amine +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:35324 +name: hydrazinium(1+) +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:35325 +name: hydrazinium(2+) +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:35328 +name: spirilloxanthin +is_a: CHEBI:35329 ! carotenoid ether +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:35329 +name: carotenoid ether +is_a: CHEBI:25698 ! ether +is_a: CHEBI:27325 ! xanthophyll + +[Term] +id: CHEBI:35330 +name: spheroidene +is_a: CHEBI:35329 ! carotenoid ether + +[Term] +id: CHEBI:35331 +name: rhodopin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:35333 +name: 4-(4-deoxy-D-gluc-4-enosyluronic acid)-D-galacturonic acid +is_a: CHEBI:33808 ! galacturonic acids + +[Term] +id: CHEBI:35337 +name: central nervous system stimulant +is_a: CHEBI:35470 ! central nervous system drug + +[Term] +id: CHEBI:35338 +name: amphetamines +is_a: CHEBI:32952 ! amine +relationship: has_role CHEBI:35337 ! central nervous system stimulant + +[Term] +id: CHEBI:35340 +name: methamphetamine hydrochloride +is_a: CHEBI:36807 ! hydrochloride +relationship: has_part CHEBI:132297 ! methamphetamine(1+) + +[Term] +id: CHEBI:35341 +name: steroid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:51958 ! organic polycyclic compound + +[Term] +id: CHEBI:35342 +name: 17alpha-hydroxy steroid +is_a: CHEBI:36838 ! 17-hydroxy steroid + +[Term] +id: CHEBI:35343 +name: 17beta-hydroxy steroid +is_a: CHEBI:36838 ! 17-hydroxy steroid + +[Term] +id: CHEBI:35344 +name: 21-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:35346 +name: 11beta-hydroxy steroid +is_a: CHEBI:36841 ! 11-hydroxy steroid + +[Term] +id: CHEBI:35347 +name: 3alpha-sterol +is_a: CHEBI:15889 ! sterol +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid + +[Term] +id: CHEBI:35348 +name: 3beta-sterol +is_a: CHEBI:15889 ! sterol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid + +[Term] +id: CHEBI:35349 +name: 7beta-hydroxy steroid +is_a: CHEBI:36844 ! 7-hydroxy steroid + +[Term] +id: CHEBI:35350 +name: hydroxy steroid +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:35352 +name: organonitrogen compound +is_a: CHEBI:33285 ! heteroorganic entity +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:35353 +name: isocyanide +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:35356 +name: dicarboximide +is_a: CHEBI:24782 ! imide + +[Term] +id: CHEBI:35358 +name: sulfonamide +is_a: CHEBI:33256 ! primary amide +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:33552 ! sulfonic acid derivative + +[Term] +id: CHEBI:35359 +name: carboxamidine +is_a: CHEBI:2634 ! amidine +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:35366 +name: fatty acid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:35367 +name: thiocarboxylic acid anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:35368 +name: hexasaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:35369 +name: pentasaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:35371 +name: lipooligosaccharide +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:35372 +name: D-fuconate +is_a: CHEBI:24115 ! fuconate + +[Term] +id: CHEBI:35373 +name: D-glucosaminide +is_a: CHEBI:24587 ! hexosaminide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:35374 +name: D-mannose 1-phosphate +is_a: CHEBI:21060 ! mannose phosphate +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:35375 +name: alditol 6-phosphate +is_a: CHEBI:22297 ! alditol phosphate + +[Term] +id: CHEBI:35378 +name: glycosylfructose +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:35381 +name: monosaccharide +is_a: CHEBI:16646 ! carbohydrate + +[Term] +id: CHEBI:35384 +name: idarate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +is_a: CHEBI:48870 ! idaric acid anion + +[Term] +id: CHEBI:35385 +name: idarate(2-) +is_a: CHEBI:48870 ! idaric acid anion + +[Term] +id: CHEBI:35386 +name: D-idarate(1-) +is_a: CHEBI:35384 ! idarate(1-) + +[Term] +id: CHEBI:35387 +name: L-idarate(1-) +is_a: CHEBI:35384 ! idarate(1-) + +[Term] +id: CHEBI:35389 +name: altrarate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +is_a: CHEBI:48916 ! altraric acid anion + +[Term] +id: CHEBI:35390 +name: galactarate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +is_a: CHEBI:48871 ! galactaric acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35391 +name: aspartate(1-) +is_a: CHEBI:132943 ! aspartate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:35392 +name: glucarate(1-) +is_a: CHEBI:48914 ! glucaric acid anion + +[Term] +id: CHEBI:35397 +name: tartrate(1-) +is_a: CHEBI:48929 ! 3-carboxy-2,3-dihydroxypropanoate + +[Term] +id: CHEBI:35398 +name: L-tartrate(1-) +is_a: CHEBI:35397 ! tartrate(1-) + +[Term] +id: CHEBI:35399 +name: D-tartrate(1-) +is_a: CHEBI:35397 ! tartrate(1-) + +[Term] +id: CHEBI:35400 +name: meso-tartrate(1-) +is_a: CHEBI:48929 ! 3-carboxy-2,3-dihydroxypropanoate + +[Term] +id: CHEBI:35401 +name: chromium oxoacid +is_a: CHEBI:35403 ! chromium coordination entity +is_a: CHEBI:36265 ! transition element oxoacid + +[Term] +id: CHEBI:35402 +name: chromium oxoanion +is_a: CHEBI:35403 ! chromium coordination entity +is_a: CHEBI:35405 ! transition element oxoanion + +[Term] +id: CHEBI:35403 +name: chromium coordination entity +is_a: CHEBI:23237 ! chromium molecular entity +is_a: CHEBI:33861 ! transition element coordination entity + +[Term] +id: CHEBI:35404 +name: chromate(2-) +is_a: CHEBI:35402 ! chromium oxoanion +is_a: CHEBI:79388 ! divalent inorganic anion +relationship: has_role CHEBI:63248 ! oxidising agent + +[Term] +id: CHEBI:35405 +name: transition element oxoanion +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:33861 ! transition element coordination entity +is_a: CHEBI:35406 ! oxoanion + +[Term] +id: CHEBI:35406 +name: oxoanion +is_a: CHEBI:25741 ! oxide +is_a: CHEBI:33273 ! polyatomic anion + +[Term] +id: CHEBI:35410 +name: primary diamine +is_a: CHEBI:23666 ! diamine + +[Term] +id: CHEBI:35411 +name: alkane-alpha,omega-diamine +is_a: CHEBI:35410 ! primary diamine +is_a: CHEBI:46687 ! diazaalkane + +[Term] +id: CHEBI:35412 +name: aminal +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:35414 +name: N-monoacetylalkane-alpha,omega-diamine +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:35415 +name: alpha-amino-acid residue cation +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:35416 +name: alpha-amino-acid residue anion +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:35417 +name: alpha-amino-acid residue radical +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:35418 +name: N-acetylneuraminate +is_a: CHEBI:21619 ! N-acetylneuraminates +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35420 +name: pregnenolone sulfate +is_a: CHEBI:16158 ! steroid sulfate +relationship: has_role CHEBI:77194 ! EC 2.7.1.33 (pantothenate kinase) inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35421 +name: lithocholic acid sulfate +is_a: CHEBI:16158 ! steroid sulfate + +[Term] +id: CHEBI:35423 +name: L-arabinose 1-phosphate +is_a: CHEBI:22600 ! arabinose phosphate + +[Term] +id: CHEBI:35425 +name: D-ribose 1-phosphate +is_a: CHEBI:35159 ! ribose monophosphate +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:35426 +name: ortho-fused bicyclic arene +is_a: CHEBI:35296 ! ortho-fused polycyclic arene +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon + +[Term] +id: CHEBI:35427 +name: ortho-fused polycyclic hydrocarbon +is_a: CHEBI:33637 ! ortho-fused compound + +[Term] +id: CHEBI:35428 +name: ortho-fused bicyclic hydrocarbon +is_a: CHEBI:33637 ! ortho-fused compound +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:3543 +name: cephamycin C +is_a: CHEBI:55429 ! cephamycin + +[Term] +id: CHEBI:35436 +name: D-glucoside +is_a: CHEBI:24278 ! glucoside + +[Term] +id: CHEBI:35438 +name: nickel coordination entity +is_a: CHEBI:33748 ! nickel molecular entity + +[Term] +id: CHEBI:35440 +name: (1R,2S)-3-phenylcyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:15599 ! cis-3-phenylcyclohexa-3,5-diene-1,2-diol + +[Term] +id: CHEBI:35441 +name: antiinfective agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35442 +name: antiparasitic agent +is_a: CHEBI:35441 ! antiinfective agent + +[Term] +id: CHEBI:35443 +name: anthelminthic drug +is_a: CHEBI:35442 ! antiparasitic agent + +[Term] +id: CHEBI:35444 +name: antinematodal drug +is_a: CHEBI:25491 ! nematicide +is_a: CHEBI:35443 ! anthelminthic drug + +[Term] +id: CHEBI:35446 +name: chlorobiphenyl +is_a: CHEBI:22888 ! biphenyls +is_a: CHEBI:36686 ! chloroarene + +[Term] +id: CHEBI:35452 +name: dTDP-L-rhamnose +is_a: CHEBI:61119 ! dTDP-rhamnose +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35453 +name: 5-dehydro-4-deoxy-D-glucarate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:35457 +name: EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor +is_a: CHEBI:35674 ! antihypertensive agent +is_a: CHEBI:76782 ! EC 3.4.15.* (peptidyl-dipeptidase) inhibitor + +[Term] +id: CHEBI:35464 +name: (Z)-hexadec-11-enoic acid +is_a: CHEBI:24548 ! hexadecenoic acid + +[Term] +id: CHEBI:35465 +name: (Z)-hexadec-7-enoic acid +is_a: CHEBI:24548 ! hexadecenoic acid + +[Term] +id: CHEBI:35467 +name: phosphorodiamide +is_a: CHEBI:17102 ! phosphoramide + +[Term] +id: CHEBI:35468 +name: triazene +is_a: CHEBI:35106 ! nitrogen hydride + +[Term] +id: CHEBI:35469 +name: antidepressant +is_a: CHEBI:35471 ! psychotropic drug + +[Term] +id: CHEBI:35470 +name: central nervous system drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35471 +name: psychotropic drug +is_a: CHEBI:35470 ! central nervous system drug + +[Term] +id: CHEBI:35472 +name: anti-inflammatory drug +is_a: CHEBI:23888 ! drug +is_a: CHEBI:67079 ! anti-inflammatory agent + +[Term] +id: CHEBI:35473 +name: tranquilizing drug +is_a: CHEBI:35471 ! psychotropic drug +is_a: CHEBI:35488 ! central nervous system depressant + +[Term] +id: CHEBI:35474 +name: anxiolytic drug +is_a: CHEBI:35473 ! tranquilizing drug + +[Term] +id: CHEBI:35475 +name: non-steroidal anti-inflammatory drug +is_a: CHEBI:35472 ! anti-inflammatory drug +is_a: CHEBI:35842 ! antirheumatic drug + +[Term] +id: CHEBI:35476 +name: antipsychotic agent +is_a: CHEBI:35473 ! tranquilizing drug + +[Term] +id: CHEBI:35479 +name: alkali metal salt +is_a: CHEBI:24866 ! salt +is_a: CHEBI:33296 ! alkali metal molecular entity + +[Term] +id: CHEBI:35480 +name: analgesic +is_a: CHEBI:23888 ! drug +is_a: CHEBI:52210 ! pharmacological role + +[Term] +id: CHEBI:35481 +name: non-narcotic analgesic +is_a: CHEBI:35480 ! analgesic + +[Term] +id: CHEBI:35482 +name: opioid analgesic +is_a: CHEBI:35480 ! analgesic + +[Term] +id: CHEBI:35484 +name: phthalate ester +is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:62732 ! aromatic ester +relationship: has_role CHEBI:138015 ! endocrine disruptor + +[Term] +id: CHEBI:35486 +name: maleate ester +is_a: CHEBI:51702 ! enoate ester + +[Term] +id: CHEBI:35487 +name: EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor +is_a: CHEBI:76852 ! EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor + +[Term] +id: CHEBI:35488 +name: central nervous system depressant +is_a: CHEBI:35470 ! central nervous system drug + +[Term] +id: CHEBI:35489 +name: organic disulfide +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:48343 ! disulfide + +[Term] +id: CHEBI:35490 +name: trypanothione disulfide +is_a: CHEBI:35489 ! organic disulfide + +[Term] +id: CHEBI:35491 +name: L-cystine zwitterion +is_a: CHEBI:35492 ! cystine zwitterion + +[Term] +id: CHEBI:35492 +name: cystine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35493 +name: antipyretic +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35494 +name: D-cystine +is_a: CHEBI:17376 ! cystine + +[Term] +id: CHEBI:35496 +name: fluorobenzenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:37143 ! organofluorine compound + +[Term] +id: CHEBI:35497 +name: androgen antagonist +is_a: CHEBI:49020 ! hormone antagonist + +[Term] +id: CHEBI:35498 +name: diuretic +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:354984 +name: candicidin +is_a: CHEBI:60004 ! mixture +is_a: CHEBI:87113 ! antibiotic antifungal drug +relationship: has_part CHEBI:3349 ! candicidin D +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:35499 +name: hallucinogen +is_a: CHEBI:35471 ! psychotropic drug + +[Term] +id: CHEBI:35500 +name: 1,4-benzodiazepinone +is_a: CHEBI:22720 ! benzodiazepine + +[Term] +id: CHEBI:35504 +name: addition compound +is_a: CHEBI:37577 ! heteroatomic molecular entity + +[Term] +id: CHEBI:35505 +name: hydrate +is_a: CHEBI:35504 ! addition compound +relationship: has_part CHEBI:15377 ! water + +[Term] +id: CHEBI:35506 +name: alkaloid fundamental parent +is_a: CHEBI:35507 ! natural product fundamental parent + +[Term] +id: CHEBI:35507 +name: natural product fundamental parent +is_a: CHEBI:33245 ! organic fundamental parent + +[Term] +id: CHEBI:35508 +name: steroid fundamental parent +is_a: CHEBI:35341 ! steroid +is_a: CHEBI:35507 ! natural product fundamental parent + +[Term] +id: CHEBI:35509 +name: androstane +is_a: CHEBI:35508 ! steroid fundamental parent + +[Term] +id: CHEBI:35512 +name: ergostane +is_a: CHEBI:35508 ! steroid fundamental parent + +[Term] +id: CHEBI:35515 +name: 5alpha-cholestane +is_a: CHEBI:35516 ! cholestane + +[Term] +id: CHEBI:35516 +name: cholestane +is_a: CHEBI:35508 ! steroid fundamental parent + +[Term] +id: CHEBI:35517 +name: 5beta-cholestane +is_a: CHEBI:35516 ! cholestane + +[Term] +id: CHEBI:35518 +name: campestane +is_a: CHEBI:35508 ! steroid fundamental parent + +[Term] +id: CHEBI:35519 +name: cholane +is_a: CHEBI:35508 ! steroid fundamental parent + +[Term] +id: CHEBI:35522 +name: beta-adrenergic agonist +is_a: CHEBI:37886 ! adrenergic agonist +is_a: CHEBI:48540 ! beta-adrenergic drug + +[Term] +id: CHEBI:35523 +name: bronchodilator agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35524 +name: sympathomimetic agent +is_a: CHEBI:37962 ! adrenergic agent + +[Term] +id: CHEBI:35526 +name: hypoglycemic agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35530 +name: beta-adrenergic antagonist +is_a: CHEBI:37887 ! adrenergic antagonist +is_a: CHEBI:48540 ! beta-adrenergic drug + +[Term] +id: CHEBI:35544 +name: EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor +is_a: CHEBI:76840 ! EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor + +[Term] +id: CHEBI:35545 +name: bipyridine +is_a: CHEBI:50511 ! bipyridines + +[Term] +id: CHEBI:35550 +name: 1H-1,2,4-triazole +is_a: CHEBI:35560 ! 1,2,4-triazole + +[Term] +id: CHEBI:35552 +name: heterocyclic organic fundamental parent +is_a: CHEBI:33245 ! organic fundamental parent + +[Term] +id: CHEBI:35554 +name: cardiovascular drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35555 +name: mancude organic heteromonocyclic parent +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:35571 ! mancude organic heterocyclic parent + +[Term] +id: CHEBI:35556 +name: pyrrole +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:38179 ! monocyclic heteroarene + +[Term] +id: CHEBI:35557 +name: 3H-pyrrole +is_a: CHEBI:35556 ! pyrrole + +[Term] +id: CHEBI:35558 +name: 2H-pyrrole +is_a: CHEBI:35556 ! pyrrole + +[Term] +id: CHEBI:35559 +name: furan +is_a: CHEBI:24129 ! furans +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:38179 ! monocyclic heteroarene +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50908 ! hepatotoxic agent +relationship: has_role CHEBI:77523 ! Maillard reaction product + +[Term] +id: CHEBI:35560 +name: 1,2,4-triazole +is_a: CHEBI:38597 ! triazole + +[Term] +id: CHEBI:35561 +name: 3H-1,2,4-triazole +is_a: CHEBI:35560 ! 1,2,4-triazole + +[Term] +id: CHEBI:35568 +name: mancude ring +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:35569 +name: alpha-adrenergic agonist +is_a: CHEBI:37886 ! adrenergic agonist +is_a: CHEBI:48539 ! alpha-adrenergic drug + +[Term] +id: CHEBI:35570 +name: mancude organic heterobicyclic parent +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:35571 ! mancude organic heterocyclic parent + +[Term] +id: CHEBI:35571 +name: mancude organic heterocyclic parent +is_a: CHEBI:35552 ! heterocyclic organic fundamental parent +is_a: CHEBI:35573 ! organic mancude parent + +[Term] +id: CHEBI:35573 +name: organic mancude parent +is_a: CHEBI:33245 ! organic fundamental parent +is_a: CHEBI:35568 ! mancude ring + +[Term] +id: CHEBI:35579 +name: 3H-indole +is_a: CHEBI:35581 ! indole + +[Term] +id: CHEBI:35580 +name: N-oxide +is_a: CHEBI:25741 ! oxide + +[Term] +id: CHEBI:35581 +name: indole +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +is_a: CHEBI:52362 ! ortho-fused heteroarene +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35584 +name: purine +is_a: CHEBI:26401 ! purines +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:35586 +name: 1H-purine +is_a: CHEBI:35584 ! purine + +[Term] +id: CHEBI:35588 +name: 3H-purine +is_a: CHEBI:35584 ! purine + +[Term] +id: CHEBI:35589 +name: 9H-purine +is_a: CHEBI:35584 ! purine + +[Term] +id: CHEBI:35592 +name: 2H-pyran +is_a: CHEBI:35594 ! pyran + +[Term] +id: CHEBI:35593 +name: 4H-pyran +is_a: CHEBI:35594 ! pyran + +[Term] +id: CHEBI:35594 +name: pyran +is_a: CHEBI:26407 ! pyrans +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent + +[Term] +id: CHEBI:35596 +name: (+)-pulegone +is_a: CHEBI:26381 ! p-menth-4(8)-en-3-one + +[Term] +id: CHEBI:35601 +name: 2H-chromene +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:35602 ! chromene + +[Term] +id: CHEBI:356010 +name: 5-aminopentanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:35602 +name: chromene +is_a: CHEBI:23232 ! chromenes +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent + +[Term] +id: CHEBI:35603 +name: 4H-chromene +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:35602 ! chromene + +[Term] +id: CHEBI:35604 +name: carbon oxoanion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:35406 ! oxoanion +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:35605 +name: carbon oxoacid +is_a: CHEBI:24833 ! oxoacid +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:35608 +name: EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor +is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor + +[Term] +id: CHEBI:35610 +name: antineoplastic agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35615 +name: tropane +is_a: CHEBI:35506 ! alkaloid fundamental parent +is_a: CHEBI:37332 ! tropane alkaloid +is_a: CHEBI:38295 ! azabicycloalkane +is_a: CHEBI:38419 ! saturated organic heterobicyclic parent + +[Term] +id: CHEBI:35616 +name: trans-anethole +is_a: CHEBI:2716 ! anethole +relationship: has_role CHEBI:35617 ! flavouring agent + +[Term] +id: CHEBI:35617 +name: flavouring agent +is_a: CHEBI:64047 ! food additive + +[Term] +id: CHEBI:35618 +name: aromatic ether +is_a: CHEBI:25698 ! ether +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:35619 +name: L-alpha-aminobutyric acid +is_a: CHEBI:35621 ! alpha-aminobutyric acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35620 +name: vasodilator agent +is_a: CHEBI:35554 ! cardiovascular drug + +[Term] +id: CHEBI:35621 +name: alpha-aminobutyric acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35622 +name: thiazolidines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:35623 +name: anticonvulsant +is_a: CHEBI:35488 ! central nervous system depressant + +[Term] +id: CHEBI:35624 +name: azaspiro compound +is_a: CHEBI:33599 ! spiro compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:35625 +name: EC 3.5.2.6 (beta-lactamase) inhibitor +is_a: CHEBI:76808 ! EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor + +[Term] +id: CHEBI:35627 +name: beta-lactam +is_a: CHEBI:24995 ! lactam + +[Term] +id: CHEBI:35640 +name: adrenergic uptake inhibitor +is_a: CHEBI:37962 ! adrenergic agent + +[Term] +id: CHEBI:356416 +name: 5-ammoniolevulinate +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:35643 +name: aporphine +is_a: CHEBI:134209 ! aporphine alkaloid +is_a: CHEBI:38515 ! isoquinoline alkaloid fundamental parent +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:356445 +name: glycylglycine zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35649 +name: morphinan +is_a: CHEBI:25418 ! morphinane alkaloid +is_a: CHEBI:38515 ! isoquinoline alkaloid fundamental parent + +[Term] +id: CHEBI:35660 +name: HIV protease inhibitor +is_a: CHEBI:37670 ! protease inhibitor +is_a: CHEBI:64946 ! anti-HIV agent + +[Term] +id: CHEBI:35661 +name: car-3-ene +is_a: CHEBI:35187 ! monoterpene + +[Term] +id: CHEBI:35662 +name: terpenoid fundamental parent +is_a: CHEBI:35507 ! natural product fundamental parent + +[Term] +id: CHEBI:35663 +name: carane +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:35664 +name: EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + +[Term] +id: CHEBI:35666 +name: thiopurine +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:26401 ! purines + +[Term] +id: CHEBI:35673 +name: abietane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:35674 +name: antihypertensive agent +is_a: CHEBI:35554 ! cardiovascular drug + +[Term] +id: CHEBI:35676 +name: benzazepine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:35679 +name: antilipemic drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35680 +name: abietate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:36762 ! abietane diterpenoid + +[Term] +id: CHEBI:35681 +name: secondary alcohol +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:35683 +name: aryl sulfide +is_a: CHEBI:16385 ! organic sulfide + +[Term] +id: CHEBI:35684 +name: antiplatyhelmintic drug +is_a: CHEBI:35443 ! anthelminthic drug + +[Term] +id: CHEBI:35688 +name: benzimidazolecarboxylic acid +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:35689 +name: tetrazoles +is_a: CHEBI:68452 ! azole + +[Term] +id: CHEBI:35690 +name: cyclobutane-1,1-dicarboxylate(2-) +is_a: CHEBI:36205 ! cyclobutanedicarboxylate + +[Term] +id: CHEBI:35691 +name: cyclobutane-1,1-dicarboxylic acid +is_a: CHEBI:36186 ! cyclobutanedicarboxylic acid + +[Term] +id: CHEBI:35692 +name: dicarboxylic acid +is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:35693 +name: dicarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:35694 +name: cyclobutane-1,1-dicarboxylate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:35695 +name: dicarboxylic acid monoanion +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:35697 +name: trans-cinnamic acid +is_a: CHEBI:27386 ! cinnamic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:35701 +name: ester +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:35703 +name: xenobiotic +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:35704 +name: N(2)-acetyl-L-lysine +is_a: CHEBI:22193 ! acetyl-L-lysine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35705 +name: immunosuppressive agent +is_a: CHEBI:50846 ! immunomodulator + +[Term] +id: CHEBI:35709 +name: thujane +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:35710 +name: pinane +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:35711 +name: ursane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:35713 +name: polycyclic alkane +is_a: CHEBI:33666 ! polycyclic hydrocarbon + +[Term] +id: CHEBI:35714 +name: polycyclic olefin +is_a: CHEBI:33642 ! cyclic olefin +is_a: CHEBI:33666 ! polycyclic hydrocarbon + +[Term] +id: CHEBI:35715 +name: nitro compound +is_a: CHEBI:51143 ! nitrogen molecular entity +relationship: has_part CHEBI:29785 ! nitro group + +[Term] +id: CHEBI:35716 +name: C-nitro compound +is_a: CHEBI:35715 ! nitro compound +is_a: CHEBI:72695 ! organic molecule + +[Term] +id: CHEBI:35717 +name: sedative +is_a: CHEBI:35488 ! central nervous system depressant + +[Term] +id: CHEBI:35718 +name: antifungal agent +is_a: CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:35719 +name: sulfamic acids +is_a: CHEBI:33552 ! sulfonic acid derivative + +[Term] +id: CHEBI:35721 +name: heparan sulfates +is_a: CHEBI:24500 ! heparan +is_a: CHEBI:35722 ! sulfated glycosaminoglycan + +[Term] +id: CHEBI:35722 +name: sulfated glycosaminoglycan +is_a: CHEBI:18085 ! glycosaminoglycan +is_a: CHEBI:35724 ! carbohydrate sulfate + +[Term] +id: CHEBI:35724 +name: carbohydrate sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:26819 ! sulfuric ester +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:35725 +name: isopropyl ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:35727 +name: triazoles +is_a: CHEBI:68452 ! azole + +[Term] +id: CHEBI:35735 +name: dicarboxylic acid monoamide +is_a: CHEBI:23690 ! dicarboxylic acid amide + +[Term] +id: CHEBI:35737 +name: monothiocarboxylic acid +is_a: CHEBI:33307 ! thiocarboxylic acid + +[Term] +id: CHEBI:35740 +name: liposaccharide +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:35741 +name: glycerolipid +is_a: CHEBI:18059 ! lipid + +[Term] +id: CHEBI:35742 +name: tetracarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:35743 +name: pentacarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:35744 +name: carbocyclic fatty acid +is_a: CHEBI:59238 ! cyclic fatty acid + +[Term] +id: CHEBI:35746 +name: fatty aldehyde +is_a: CHEBI:59768 ! aliphatic aldehyde + +[Term] +id: CHEBI:35748 +name: fatty acid ester +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:35753 +name: tricarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:35754 +name: tetracarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:35755 +name: pentacarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:35757 +name: monocarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:35759 +name: 1-monoglyceride +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:76575 ! monosubstituted glycerol + +[Term] +id: CHEBI:3576 +name: chanoclavine-I +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:38111 ! benzoindole +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:51959 ! organic tricyclic compound + +[Term] +id: CHEBI:35766 +name: glycerophosphoserine +is_a: CHEBI:26649 ! serine derivative +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:35771 +name: glycerophosphoinositol phosphate +is_a: CHEBI:36315 ! glycerophosphoinositol + +[Term] +id: CHEBI:35774 +name: CDP-glycerols +is_a: CHEBI:26441 ! pyrimidine nucleotide +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:35776 +name: arsenic oxoanion +is_a: CHEBI:22632 ! arsenic molecular entity +is_a: CHEBI:33459 ! pnictogen oxoanion + +[Term] +id: CHEBI:35779 +name: dicarboxylic acid diamide +is_a: CHEBI:23690 ! dicarboxylic acid amide + +[Term] +id: CHEBI:35780 +name: phosphate ion +is_a: CHEBI:33461 ! phosphorus oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35782 +name: diphosphate ion +is_a: CHEBI:33461 ! phosphorus oxoanion + +[Term] +id: CHEBI:35783 +name: bornane +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:35785 +name: sphingoid +is_a: CHEBI:26739 ! sphingolipid + +[Term] +id: CHEBI:35786 +name: phosphosphingolipid +is_a: CHEBI:16247 ! phospholipid +is_a: CHEBI:26739 ! sphingolipid + +[Term] +id: CHEBI:35788 +name: seco-steroid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:35789 +name: oxo steroid +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:35790 +name: oxazole +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:68452 ! azole + +[Term] +id: CHEBI:35794 +name: tetrapyrrole fundamental parent +is_a: CHEBI:26932 ! tetrapyrrole +is_a: CHEBI:35507 ! natural product fundamental parent + +[Term] +id: CHEBI:35795 +name: polyprenylbenzoquinone +is_a: CHEBI:132124 ! 1,4-benzoquinones +is_a: CHEBI:26255 ! prenylquinone + +[Term] +id: CHEBI:35800 +name: nitroso compound +is_a: CHEBI:51143 ! nitrogen molecular entity +relationship: has_part CHEBI:35801 ! nitroso group + +[Term] +id: CHEBI:35801 +name: nitroso group +is_a: CHEBI:33246 ! inorganic group +is_a: CHEBI:51144 ! nitrogen group + +[Term] +id: CHEBI:35804 +name: citrate(1-) +is_a: CHEBI:133748 ! citrate anion +is_a: CHEBI:36299 ! tricarboxylic acid monoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:35808 +name: citrate(2-) +is_a: CHEBI:133748 ! citrate anion +is_a: CHEBI:36300 ! tricarboxylic acid dianion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:35811 +name: 2-endo-hydroxy-1,8-cineole +is_a: CHEBI:23243 ! cineole + +[Term] +id: CHEBI:35812 +name: oxfendazole +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +relationship: has_role CHEBI:35444 ! antinematodal drug + +[Term] +id: CHEBI:35816 +name: leprostatic drug +is_a: CHEBI:64912 ! antimycobacterial drug + +[Term] +id: CHEBI:35818 +name: coccidiostat +is_a: CHEBI:35820 ! antiprotozoal drug + +[Term] +id: CHEBI:35819 +name: branched-chain fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:35820 +name: antiprotozoal drug +is_a: CHEBI:35442 ! antiparasitic agent +is_a: CHEBI:36043 ! antimicrobial drug + +[Term] +id: CHEBI:35821 +name: anticholesteremic drug +is_a: CHEBI:35679 ! antilipemic drug + +[Term] +id: CHEBI:35825 +name: mandelic acid +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:35842 +name: antirheumatic drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:35850 +name: sulfone +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:35856 +name: lipoxygenase inhibitor +is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor + +[Term] +id: CHEBI:35862 +name: bacitracin A +is_a: CHEBI:15841 ! polypeptide +is_a: CHEBI:24613 ! homodetic cyclic peptide +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:35865 +name: 5alpha-cholest-7-ene +is_a: CHEBI:23178 ! cholest-7-ene + +[Term] +id: CHEBI:35868 +name: hydroxy monocarboxylic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:35871 +name: oxo monocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:25754 ! oxo carboxylic acid + +[Term] +id: CHEBI:35873 +name: carboxylic anhydride +is_a: CHEBI:36586 ! carbonyl compound +is_a: CHEBI:36606 ! acid anhydride + +[Term] +id: CHEBI:35875 +name: imidazopyrimidine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:33833 ! heteroarene +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:35881 +name: pnictogen hydride +is_a: CHEBI:33242 ! inorganic hydride +is_a: CHEBI:33302 ! pnictogen molecular entity + +[Term] +id: CHEBI:35897 +name: but-3-enoic acid +is_a: CHEBI:22959 ! butenoic acid + +[Term] +id: CHEBI:35899 +name: crotonate +is_a: CHEBI:36258 ! but-2-enoate + +[Term] +id: CHEBI:35900 +name: but-3-enoate +is_a: CHEBI:36029 ! butenoate + +[Term] +id: CHEBI:35902 +name: oxo monocarboxylic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:35903 ! oxo carboxylic acid anion + +[Term] +id: CHEBI:35903 +name: oxo carboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:35907 +name: glutarate(1-) +is_a: CHEBI:24329 ! glutarate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35908 +name: glutaramate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:35910 +name: 2-oxo monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:35915 +name: sterol ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:47880 ! steroid ester + +[Term] +id: CHEBI:35923 +name: hydroperoxide +is_a: CHEBI:24651 ! hydroxides +relationship: has_part CHEBI:29792 ! hydroperoxy group + +[Term] +id: CHEBI:35924 +name: peroxol +is_a: CHEBI:35923 ! hydroperoxide +is_a: CHEBI:36963 ! organooxygen compound +is_a: CHEBI:37863 ! chalcoperoxol + +[Term] +id: CHEBI:35931 +name: delta-amino acid +is_a: CHEBI:83820 ! non-proteinogenic amino acid + +[Term] +id: CHEBI:35932 +name: 3-methyl-2-oxovaleric acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35935 +name: pent-4-enoate +is_a: CHEBI:36030 ! pentenoate + +[Term] +id: CHEBI:35936 +name: pent-4-enoic acid +is_a: CHEBI:25897 ! pentenoic acid + +[Term] +id: CHEBI:35940 +name: protirelin +is_a: CHEBI:25905 ! peptide hormone +is_a: CHEBI:47923 ! tripeptide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:35941 +name: serotonergic agonist +is_a: CHEBI:48278 ! serotonergic drug + +[Term] +id: CHEBI:35942 +name: neurotransmitter agent +is_a: CHEBI:23888 ! drug +is_a: CHEBI:52210 ! pharmacological role + +[Term] +id: CHEBI:35950 +name: 4-oxo monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:35951 +name: dioxo monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:35952 +name: 5-oxo monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:35958 +name: epsilon-amino acid +is_a: CHEBI:83820 ! non-proteinogenic amino acid + +[Term] +id: CHEBI:35960 +name: 6-oxo monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:35962 +name: sorbic acid +is_a: CHEBI:24555 ! hexadienoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:35964 +name: penta-2,4-dienoic acid +is_a: CHEBI:25876 ! pentadienoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:35969 +name: 3-hydroxy monocarboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:35970 +name: 4-hydroxy monocarboxylic acid +is_a: CHEBI:13611 ! 4-hydroxy carboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:35971 +name: 6-hydroxy monocarboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:35972 +name: dihydroxy monocarboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:35973 +name: 3-oxo monocarboxylic acid anion +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:35974 +name: 4-oxo monocarboxylic acid anion +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:35975 +name: 5-oxo monocarboxylic acid anion +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:35976 +name: 6-oxo monocarboxylic acid anion +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:35979 +name: dioxo monocarboxylic acid anion +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:35983 +name: 7-oxo monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:35984 +name: 7-oxo monocarboxylic acid anion +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:35986 +name: nonan-1-ol +is_a: CHEBI:24026 ! fatty alcohol +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:35987 +name: diamino acid +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:35990 +name: bridged compound +is_a: CHEBI:33635 ! polycyclic compound + +[Term] +id: CHEBI:35992 +name: penams +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:27933 ! beta-lactam antibiotic +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:35998 +name: tridecane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36003 +name: decenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:36004 +name: tetradecenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:36005 +name: docosahexaenoic acid +is_a: CHEBI:132544 ! fatty acid 22:6 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36006 +name: icosapentaenoic acid +is_a: CHEBI:132540 ! fatty acid 20:5 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:36007 +name: trans-stilbene +is_a: CHEBI:26775 ! stilbene + +[Term] +id: CHEBI:36009 +name: omega-6 fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59549 ! essential fatty acid + +[Term] +id: CHEBI:36011 +name: pinosylvin +is_a: CHEBI:36027 ! stilbenol + +[Term] +id: CHEBI:36014 +name: chloromethane +is_a: CHEBI:23148 ! chloromethanes +is_a: CHEBI:25253 ! methyl halides +relationship: has_role CHEBI:25435 ! mutagen +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:36016 +name: chloroethanes +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:23128 ! chloroalkane + +[Term] +id: CHEBI:36021 +name: octadec-9-enoic acid +is_a: CHEBI:25634 ! octadecenoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36022 +name: octadec-6-enoic acid +is_a: CHEBI:25634 ! octadecenoic acid + +[Term] +id: CHEBI:36023 +name: vaccenic acid +is_a: CHEBI:25634 ! octadecenoic acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:36024 +name: trideca-2,6-dienoic acid +is_a: CHEBI:27105 ! tridecadienoic acid + +[Term] +id: CHEBI:36025 +name: octadeca-9,11-dienoic acid +is_a: CHEBI:61159 ! conjugated linoleic acid + +[Term] +id: CHEBI:36027 +name: stilbenol +is_a: CHEBI:26776 ! stilbenoid +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:36029 +name: butenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:58951 ! short-chain fatty acid anion + +[Term] +id: CHEBI:36030 +name: pentenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion + +[Term] +id: CHEBI:36031 +name: docosenoic acid +is_a: CHEBI:132541 ! fatty acid 22:1 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:36032 +name: tetracosenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:36033 +name: icosatetraenoic acid +is_a: CHEBI:132539 ! fatty acid 20:4 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite + +[Term] +id: CHEBI:36035 +name: icosa-5,8,11,13-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36036 +name: icosatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:36037 +name: (5Z,9E,14Z)-icosa-5,9,14-trienoic acid +is_a: CHEBI:36036 ! icosatrienoic acid + +[Term] +id: CHEBI:36038 +name: icosa-7,9,11,14-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36039 +name: icosa-5,8,10,14-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36040 +name: icosa-6,8,11,14-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36042 +name: icosa-5,9,11,14-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36043 +name: antimicrobial drug +is_a: CHEBI:33281 ! antimicrobial agent +is_a: CHEBI:35441 ! antiinfective agent + +[Term] +id: CHEBI:36044 +name: antiviral drug +is_a: CHEBI:22587 ! antiviral agent +is_a: CHEBI:36043 ! antimicrobial drug + +[Term] +id: CHEBI:36045 +name: icosa-6,8,10,14-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36046 +name: icosatetraenedioic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid + +[Term] +id: CHEBI:36047 +name: antibacterial drug +is_a: CHEBI:33282 ! antibacterial agent +is_a: CHEBI:36043 ! antimicrobial drug + +[Term] +id: CHEBI:36054 +name: benzoate ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:62732 ! aromatic ester + +[Term] +id: CHEBI:36055 +name: furoic acid +is_a: CHEBI:24129 ! furans +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:36056 +name: furancarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36059 +name: hydroxy monocarboxylic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36061 +name: octa-2,4-dienoate +is_a: CHEBI:25637 ! octadienoate + +[Term] +id: CHEBI:36062 +name: 3,4-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:132365 ! EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor + +[Term] +id: CHEBI:36063 +name: oxytocic +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:36064 +name: taxane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36066 +name: prostaglandins Falpha +is_a: CHEBI:26340 ! prostaglandins F + +[Term] +id: CHEBI:36078 +name: cholanoid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:36080 +name: protein +is_a: CHEBI:33695 ! information biomacromolecule +relationship: has_part CHEBI:16541 ! protein polypeptide chain + +[Term] +id: CHEBI:36084 +name: dihydroxybenzoate +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:36085 +name: trihydroxybenzoate +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:36086 +name: sulfonatobenzoate +is_a: CHEBI:22713 ! arenesulfonate oxoanion +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:36087 +name: cinnamate ester +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:51702 ! enoate ester + +[Term] +id: CHEBI:36088 +name: thromboxanes A +is_a: CHEBI:26995 ! thromboxane + +[Term] +id: CHEBI:36090 +name: 4-coumaric acid +is_a: CHEBI:23401 ! coumaric acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36091 +name: cinnamates +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36094 +name: organic chloride salt +is_a: CHEBI:23114 ! chloride salt +is_a: CHEBI:51069 ! organic halide salt + +[Term] +id: CHEBI:36096 +name: cyclohexanecarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:36100 +name: (S)-isoflavan +is_a: CHEBI:38740 ! isoflavan + +[Term] +id: CHEBI:36101 +name: (R)-isoflavan +is_a: CHEBI:38740 ! isoflavan + +[Term] +id: CHEBI:36102 +name: (2R)-flavan +is_a: CHEBI:38691 ! flavan + +[Term] +id: CHEBI:36103 +name: (2S)-flavan +is_a: CHEBI:38691 ! flavan + +[Term] +id: CHEBI:36104 +name: 1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid + +[Term] +id: CHEBI:36105 +name: (2R)-flavanone +is_a: CHEBI:5070 ! flavanone + +[Term] +id: CHEBI:36106 +name: 2-naphthoic acid +is_a: CHEBI:25483 ! naphthoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:36107 +name: 2-naphthoate +is_a: CHEBI:25482 ! naphthoate +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:36108 +name: 1-hydroxy-2-naphthoic acid +is_a: CHEBI:25392 ! naphthols +is_a: CHEBI:25483 ! naphthoic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:36109 +name: piperidinecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36110 +name: pipecolate +is_a: CHEBI:36109 ! piperidinecarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36112 +name: pyridinedicarboxylic acid +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36114 +name: chromenylium +is_a: CHEBI:72704 ! chromenyliums + +[Term] +id: CHEBI:36115 +name: 1H-isochromene +is_a: CHEBI:36117 ! isochromene + +[Term] +id: CHEBI:36116 +name: 3H-isochromene +is_a: CHEBI:36117 ! isochromene + +[Term] +id: CHEBI:36117 +name: isochromene +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +is_a: CHEBI:38761 ! isochromenes + +[Term] +id: CHEBI:36121 +name: flavylium +is_a: CHEBI:72704 ! chromenyliums + +[Term] +id: CHEBI:36123 +name: cyclitol carboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33598 ! carbocyclic compound +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:36124 +name: (+)-quinic acid +is_a: CHEBI:26493 ! quinic acid + +[Term] +id: CHEBI:36125 +name: cyclitol carboxylic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36126 +name: cyclohexenecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36128 +name: cyclopropanecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36129 +name: pentenedioic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36130 +name: cyclic terpene ketone +is_a: CHEBI:26872 ! terpene ketone +is_a: CHEBI:36132 ! alicyclic ketone + +[Term] +id: CHEBI:36132 +name: alicyclic ketone +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:36133 +name: pentenedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:36134 +name: glutaconate(2-) +is_a: CHEBI:36133 ! pentenedioate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36140 +name: cyclopentanones +is_a: CHEBI:36132 ! alicyclic ketone + +[Term] +id: CHEBI:36141 +name: quinone +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:36144 +name: ferriheme b +is_a: CHEBI:26355 ! heme b +is_a: CHEBI:38574 ! ferriheme + +[Term] +id: CHEBI:36145 +name: oxo dicarboxylic acid +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36147 +name: oxo dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:36148 +name: 4-hydroxy-2-oxoglutarate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:36149 +name: 2-hydroxyglutarate(1-) +is_a: CHEBI:132941 ! 2-hydroxyglutarate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:36157 +name: muconate +is_a: CHEBI:24552 ! hexadienedioate + +[Term] +id: CHEBI:36158 +name: metalloprotoporphyrin +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:26361 ! protoporphyrins + +[Term] +id: CHEBI:36159 +name: protoporphyrinate +is_a: CHEBI:26361 ! protoporphyrins +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36164 +name: amino dicarboxylic acid +is_a: CHEBI:33709 ! amino acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36165 +name: pimelate(2-) +is_a: CHEBI:133773 ! pimelate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:36166 +name: 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36167 +name: dipicolinate(2-) +is_a: CHEBI:36173 ! pyridinedicarboxylate + +[Term] +id: CHEBI:36173 +name: pyridinedicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:36174 +name: octenedioic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36175 +name: octenedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:36178 +name: cytoporphyrins +is_a: CHEBI:26214 ! porphyrins + +[Term] +id: CHEBI:36180 +name: butenedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:36181 +name: succinate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:36186 +name: cyclobutanedicarboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36188 +name: malate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:36190 +name: hepoxilin A3 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36200 ! hepoxilin +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:36191 +name: hexenedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:36192 +name: 2-hexenedioic acid +is_a: CHEBI:25789 ! hexenedioic acid + +[Term] +id: CHEBI:36194 +name: cyclohexadienedicarboxylic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid + +[Term] +id: CHEBI:36197 +name: pyrandicarboxylic acid +is_a: CHEBI:26407 ! pyrans +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:36200 +name: hepoxilin +is_a: CHEBI:36036 ! icosatrienoic acid + +[Term] +id: CHEBI:36201 +name: trioxilin +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:36202 +name: all-cis-icosa-5,8,14-trienoic acid +is_a: CHEBI:36036 ! icosatrienoic acid + +[Term] +id: CHEBI:36203 +name: trioxilin A3 +is_a: CHEBI:36201 ! trioxilin + +[Term] +id: CHEBI:36204 +name: 12-hydroxylaurate +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion + +[Term] +id: CHEBI:36205 +name: cyclobutanedicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:36206 +name: 3-hydroxylauric acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid + +[Term] +id: CHEBI:36208 +name: shikimate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:36126 ! cyclohexenecarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:36210 +name: (S)-3-hydroxylauric acid +is_a: CHEBI:36206 ! 3-hydroxylauric acid + +[Term] +id: CHEBI:36211 +name: 2-hydroxydodecanoic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:36218 +name: beta-lactose +is_a: CHEBI:17716 ! lactose + +[Term] +id: CHEBI:36219 +name: alpha-lactose +is_a: CHEBI:17716 ! lactose + +[Term] +id: CHEBI:36223 +name: thiomorpholinemonocarboxylic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:36393 ! thiomorpholines +is_a: CHEBI:46978 ! thiazinemonocarboxylic acid + +[Term] +id: CHEBI:36233 +name: disaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:36234 +name: chenodeoxycholate +is_a: CHEBI:131878 ! cholanic acid anion +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36235 +name: bile acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:36237 +name: cholanic acid +is_a: CHEBI:36278 ! cholanic acids + +[Term] +id: CHEBI:36238 +name: 5beta-cholanic acid +is_a: CHEBI:36237 ! cholanic acid +is_a: CHEBI:36248 ! 5beta-cholanic acids + +[Term] +id: CHEBI:36240 +name: 3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid +is_a: CHEBI:27114 ! trihydroxy-5beta-cholanic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36241 +name: 3,4-dihydroxybenzoate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:36242 +name: 3-(4-hydroxyphenyl)pyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36243 +name: propanoate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:36244 +name: dicarboxylic acid monoester +is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:36246 +name: 5alpha-cholanic acids +is_a: CHEBI:36278 ! cholanic acids + +[Term] +id: CHEBI:36248 +name: 5beta-cholanic acids +is_a: CHEBI:136889 ! 5beta steroid +is_a: CHEBI:36278 ! cholanic acids + +[Term] +id: CHEBI:36249 +name: bile acid conjugate +is_a: CHEBI:36078 ! cholanoid + +[Term] +id: CHEBI:36252 +name: glycochenodeoxycholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:57670 ! N-acylglycinate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36255 +name: bile acid glycine conjugate +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:36249 ! bile acid conjugate + +[Term] +id: CHEBI:36257 +name: taurocholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:33554 ! organosulfonate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36258 +name: but-2-enoate +is_a: CHEBI:36029 ! butenoate + +[Term] +id: CHEBI:36259 +name: taurolithocholic acid +is_a: CHEBI:23219 ! bile acid taurine conjugate +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36260 +name: monohydroxy-5beta-cholanic acid +is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid + +[Term] +id: CHEBI:36261 +name: taurodeoxycholate +is_a: CHEBI:33554 ! organosulfonate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36262 +name: molybdenum oxoanion +is_a: CHEBI:35202 ! molybdenum coordination entity +is_a: CHEBI:35405 ! transition element oxoanion + +[Term] +id: CHEBI:36263 +name: hydrogenmolybdate +is_a: CHEBI:36262 ! molybdenum oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:36264 +name: molybdate +is_a: CHEBI:36262 ! molybdenum oxoanion +is_a: CHEBI:79388 ! divalent inorganic anion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:36265 +name: transition element oxoacid +is_a: CHEBI:33861 ! transition element coordination entity + +[Term] +id: CHEBI:36267 +name: molybdenum oxoacid +is_a: CHEBI:35202 ! molybdenum coordination entity +is_a: CHEBI:36265 ! transition element oxoacid + +[Term] +id: CHEBI:36270 +name: tungsten oxoanion +is_a: CHEBI:35233 ! tungsten coordination entity +is_a: CHEBI:35405 ! transition element oxoanion + +[Term] +id: CHEBI:36271 +name: hydrogentungstate +is_a: CHEBI:36270 ! tungsten oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:36272 +name: tungstic acid +is_a: CHEBI:35233 ! tungsten coordination entity + +[Term] +id: CHEBI:36274 +name: glycochenodeoxycholic acid +is_a: CHEBI:36255 ! bile acid glycine conjugate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36275 +name: HETE +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:53339 ! olefinic fatty acid + +[Term] +id: CHEBI:36278 +name: cholanic acids +is_a: CHEBI:36078 ! cholanoid +is_a: CHEBI:47891 ! steroid acid + +[Term] +id: CHEBI:36279 +name: oct-2-enedioic acid +is_a: CHEBI:36174 ! octenedioic acid + +[Term] +id: CHEBI:36280 +name: oct-2-enedioate +is_a: CHEBI:36175 ! octenedioate + +[Term] +id: CHEBI:36281 +name: caffeic acid +is_a: CHEBI:24689 ! hydroxycinnamic acid +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor +relationship: has_role CHEBI:64964 ! EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor +relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor +relationship: has_role CHEBI:76797 ! EC 2.5.1.18 (glutathione transferase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36299 +name: tricarboxylic acid monoanion +is_a: CHEBI:35753 ! tricarboxylic acid anion + +[Term] +id: CHEBI:36300 +name: tricarboxylic acid dianion +is_a: CHEBI:35753 ! tricarboxylic acid anion + +[Term] +id: CHEBI:36301 +name: ferroheme o +is_a: CHEBI:24480 ! heme o +is_a: CHEBI:38573 ! ferroheme + +[Term] +id: CHEBI:36302 +name: icosa-5,8,12,14-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36306 +name: icosa-5,8,11,14-tetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:36307 +name: glycosyl alditol +is_a: CHEBI:17522 ! alditol + +[Term] +id: CHEBI:36309 +name: cyclic tetrapyrrole +is_a: CHEBI:26932 ! tetrapyrrole +is_a: CHEBI:47882 ! cyclic polypyrrole + +[Term] +id: CHEBI:36310 +name: glycosylglycerol phosphate +is_a: CHEBI:26707 ! glycerol phosphate +is_a: CHEBI:63425 ! galactosylglycerol derivative + +[Term] +id: CHEBI:36311 +name: corphinoid +is_a: CHEBI:36309 ! cyclic tetrapyrrole + +[Term] +id: CHEBI:36312 +name: sarpagan +is_a: CHEBI:38482 ! indole alkaloid fundamental parent +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:36313 +name: glycerophosphocholine +is_a: CHEBI:36700 ! phosphocholines +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:36314 +name: glycerophosphoethanolamine +is_a: CHEBI:36711 ! phosphoethanolamine +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:36315 +name: glycerophosphoinositol +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:36316 +name: dipyrrole +is_a: CHEBI:38077 ! polypyrrole + +[Term] +id: CHEBI:36321 +name: porphyrinogens +is_a: CHEBI:26214 ! porphyrins +is_a: CHEBI:51389 ! calixpyrroles + +[Term] +id: CHEBI:363227 +name: 6alpha,20xi-murideoxycholic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid + +[Term] +id: CHEBI:36326 +name: octadecanoid +is_a: CHEBI:27208 ! unsaturated fatty acid + +[Term] +id: CHEBI:36328 +name: HODE +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:53339 ! olefinic fatty acid + +[Term] +id: CHEBI:36329 +name: HPODE +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:61051 ! lipid hydroperoxide + +[Term] +id: CHEBI:36330 +name: senecionan +is_a: CHEBI:35506 ! alkaloid fundamental parent +is_a: CHEBI:38521 ! pyrrolizine alkaloid + +[Term] +id: CHEBI:36331 +name: octadeca-10,12-dienoic acid +is_a: CHEBI:61159 ! conjugated linoleic acid + +[Term] +id: CHEBI:36333 +name: local anaesthetic +is_a: CHEBI:38867 ! anaesthetic + +[Term] +id: CHEBI:36334 +name: naphthalene-1,3,5-trisulfonic acid +is_a: CHEBI:36336 ! naphthalenesulfonic acid + +[Term] +id: CHEBI:36335 +name: trypanocidal drug +is_a: CHEBI:35820 ! antiprotozoal drug + +[Term] +id: CHEBI:36336 +name: naphthalenesulfonic acid +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:33555 ! arenesulfonic acid + +[Term] +id: CHEBI:36338 +name: lepton +is_a: CHEBI:33233 ! fundamental particle +is_a: CHEBI:36340 ! fermion + +[Term] +id: CHEBI:36339 +name: baryon +is_a: CHEBI:36340 ! fermion +is_a: CHEBI:36344 ! hadron + +[Term] +id: CHEBI:36340 +name: fermion +is_a: CHEBI:36342 ! subatomic particle + +[Term] +id: CHEBI:36341 +name: boson +is_a: CHEBI:36342 ! subatomic particle + +[Term] +id: CHEBI:36342 +name: subatomic particle + +[Term] +id: CHEBI:36343 +name: composite particle +is_a: CHEBI:36342 ! subatomic particle + +[Term] +id: CHEBI:36344 +name: hadron +is_a: CHEBI:36343 ! composite particle + +[Term] +id: CHEBI:36347 +name: nuclear particle +is_a: CHEBI:36342 ! subatomic particle + +[Term] +id: CHEBI:36357 +name: polyatomic entity +is_a: CHEBI:23367 ! molecular entity +relationship: has_part CHEBI:24433 ! group + +[Term] +id: CHEBI:36358 +name: polyatomic ion +is_a: CHEBI:24870 ! ion +is_a: CHEBI:36357 ! polyatomic entity + +[Term] +id: CHEBI:36359 +name: phosphorus oxoacid derivative +is_a: CHEBI:33241 ! oxoacid derivative +is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives + +[Term] +id: CHEBI:36360 +name: phosphorus oxoacids and derivatives +is_a: CHEBI:26082 ! phosphorus molecular entity + +[Term] +id: CHEBI:36361 +name: phosphorous acid +is_a: CHEBI:33457 ! phosphorus oxoacid + +[Term] +id: CHEBI:36363 +name: hydroxyphosphanone +is_a: CHEBI:33457 ! phosphorus oxoacid + +[Term] +id: CHEBI:3638 +name: chloroquine +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:36709 ! aminoquinoline +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:35842 ! antirheumatic drug +relationship: has_role CHEBI:38068 ! antimalarial +relationship: has_role CHEBI:50177 ! dermatologic drug +relationship: has_role CHEBI:88230 ! autophagy inhibitor + +[Term] +id: CHEBI:36387 +name: chloroalkene +is_a: CHEBI:39482 ! chloroolefin +is_a: CHEBI:5610 ! haloalkene + +[Term] +id: CHEBI:36388 +name: saturated organic heterocyclic parent +is_a: CHEBI:35552 ! heterocyclic organic fundamental parent + +[Term] +id: CHEBI:36389 +name: saturated organic heteromonocyclic parent +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:36388 ! saturated organic heterocyclic parent + +[Term] +id: CHEBI:36393 +name: thiomorpholines +is_a: CHEBI:46954 ! thiazinane + +[Term] +id: CHEBI:36401 +name: cycloalkadiene +is_a: CHEBI:36403 ! monocyclic olefin + +[Term] +id: CHEBI:36402 +name: cycloalkatriene +is_a: CHEBI:36403 ! monocyclic olefin + +[Term] +id: CHEBI:36403 +name: monocyclic olefin +is_a: CHEBI:33642 ! cyclic olefin + +[Term] +id: CHEBI:36404 +name: cyclohexene +is_a: CHEBI:33643 ! cycloalkene + +[Term] +id: CHEBI:36405 +name: 2-aminohexanoic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:36408 +name: 5-hydroxy-L-kynurenine +is_a: CHEBI:2076 ! 5-hydroxykynurenine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:36413 +name: anabolic agent +is_a: CHEBI:24621 ! hormone + +[Term] +id: CHEBI:36416 +name: mancude organic heterotricyclic parent +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:35571 ! mancude organic heterocyclic parent + +[Term] +id: CHEBI:36420 +name: acridine +is_a: CHEBI:22213 ! acridines +is_a: CHEBI:36416 ! mancude organic heterotricyclic parent +is_a: CHEBI:38180 ! polycyclic heteroarene +relationship: has_role CHEBI:50902 ! genotoxin + +[Term] +id: CHEBI:36422 +name: 3H-carbazole +is_a: CHEBI:3391 ! carbazole + +[Term] +id: CHEBI:36423 +name: 1H-carbazole +is_a: CHEBI:3391 ! carbazole + +[Term] +id: CHEBI:36424 +name: 4aH-carbazole +is_a: CHEBI:3391 ! carbazole + +[Term] +id: CHEBI:36425 +name: 8aH-carbazole +is_a: CHEBI:3391 ! carbazole + +[Term] +id: CHEBI:36432 +name: 2-methylbut-2-enoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:36434 +name: octadecatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:36438 +name: (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:36445 +name: alkylglucosinolate +is_a: CHEBI:24279 ! glucosinolate + +[Term] +id: CHEBI:36451 +name: alkenylglucosinolate +is_a: CHEBI:24279 ! glucosinolate + +[Term] +id: CHEBI:36452 +name: aralkylglucosinolate +is_a: CHEBI:24279 ! glucosinolate + +[Term] +id: CHEBI:36453 +name: isocitrate(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:36454 +name: isocitrate(1-) +is_a: CHEBI:36299 ! tricarboxylic acid monoanion + +[Term] +id: CHEBI:36455 +name: homoisocitrate(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:36456 +name: homoisocitrate(1-) +is_a: CHEBI:36299 ! tricarboxylic acid monoanion + +[Term] +id: CHEBI:36457 +name: homocitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:36458 +name: homocitrate(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:36459 +name: homocitrate(1-) +is_a: CHEBI:36299 ! tricarboxylic acid monoanion + +[Term] +id: CHEBI:36460 +name: (E)-glutaconate(2-) +is_a: CHEBI:36134 ! glutaconate(2-) + +[Term] +id: CHEBI:36461 +name: (E)-glutaconate(1-) +is_a: CHEBI:36462 ! glutaconate(1-) + +[Term] +id: CHEBI:36462 +name: glutaconate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:36464 +name: (R)-mevalonate +is_a: CHEBI:25350 ! mevalonate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36465 +name: cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate +is_a: CHEBI:17708 ! 1,6-dihydroxycyclohexa-2,4-dienecarboxylate + +[Term] +id: CHEBI:36470 +name: quinazoline alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:38530 ! quinazolines + +[Term] +id: CHEBI:36473 +name: gammacerane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36474 +name: drimane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36475 +name: 1-oleoylglycerone 3-phosphate +is_a: CHEBI:15835 ! 1-acylglycerone 3-phosphate + +[Term] +id: CHEBI:36476 +name: 1-stearoylglycerone 3-phosphate +is_a: CHEBI:15835 ! 1-acylglycerone 3-phosphate + +[Term] +id: CHEBI:36477 +name: sulfoglycosphingolipid +is_a: CHEBI:26829 ! sulfoglycolipid +is_a: CHEBI:36526 ! acidic glycosphingolipid + +[Term] +id: CHEBI:36480 +name: bisabolane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36481 +name: oleanane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36482 +name: hopane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36483 +name: protostane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36484 +name: hopan-22-ol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:51963 ! hopanoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36485 +name: lupane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36486 +name: 13-(beta-D-glucosyloxy)docosanoic acid +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:36487 +name: 13-(beta-D-glucosyloxy)docosanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:36488 +name: dammarane +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35341 ! steroid +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36489 +name: 17beta-estradiol 3-glucosiduronic acid +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36491 +name: 2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:36492 +name: (+)-isomenthone +is_a: CHEBI:36493 ! isomenthone + +[Term] +id: CHEBI:36493 +name: isomenthone +is_a: CHEBI:36742 ! p-menthan-3-one + +[Term] +id: CHEBI:36496 +name: (-)-isomenthone +is_a: CHEBI:36493 ! isomenthone + +[Term] +id: CHEBI:36498 +name: galactosylceramide +is_a: CHEBI:23079 ! cerebroside +is_a: CHEBI:5254 ! galactolipid +is_a: CHEBI:62941 ! glycosylceramide + +[Term] +id: CHEBI:36500 +name: glucosylceramide +is_a: CHEBI:23079 ! cerebroside +is_a: CHEBI:62941 ! glycosylceramide + +[Term] +id: CHEBI:36501 +name: (2Z,4Z)-5-carboxypenta-2,4-dienoate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:36503 +name: menthone +is_a: CHEBI:36742 ! p-menthan-3-one + +[Term] +id: CHEBI:36504 +name: 5-carboxypenta-2,4-dienoate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:36505 +name: labdane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36507 +name: D-galactosyl-N-acetyl-D-glucosaminyl-D-galactosyl-D-glucosylceramide +is_a: CHEBI:23075 ! glycotetraosylceramide + +[Term] +id: CHEBI:36508 +name: glycotriaosylceramide +is_a: CHEBI:36520 ! oligoglycosylceramide + +[Term] +id: CHEBI:36513 +name: cadinane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36514 +name: germacrane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36515 +name: (-)-germacrene A +is_a: CHEBI:36517 ! germacrene A + +[Term] +id: CHEBI:36517 +name: germacrene A +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36743 ! germacrene + +[Term] +id: CHEBI:36520 +name: oligoglycosylceramide +is_a: CHEBI:17761 ! ceramide +is_a: CHEBI:25513 ! neutral glycosphingolipid + +[Term] +id: CHEBI:36521 +name: eremophilane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36522 +name: eudesmane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36523 +name: humulane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36526 +name: acidic glycosphingolipid +is_a: CHEBI:24402 ! glycosphingolipid + +[Term] +id: CHEBI:36527 +name: glycosylsphingoid +is_a: CHEBI:25513 ! neutral glycosphingolipid + +[Term] +id: CHEBI:36528 +name: alpha-Neup5NAc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36529 +name: aristolochene +is_a: CHEBI:136397 ! (2xi)-3-deoxy-7-O-phosphonato-beta-D-threo-hept-6-ulopyranosonate +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36530 +name: cedrane +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36534 +name: 2,6,10-trimethyldodeca-2,6,10-triene +is_a: CHEBI:33647 ! alkatriene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:36538 +name: 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:36539 +name: kaurane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36540 +name: ent-kaurane +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:36541 +name: sialotriaosylceramide +is_a: CHEBI:28892 ! ganglioside + +[Term] +id: CHEBI:36542 +name: sialopentaosylceramide +is_a: CHEBI:28892 ! ganglioside + +[Term] +id: CHEBI:36543 +name: sialotetraosylceramide +is_a: CHEBI:28892 ! ganglioside + +[Term] +id: CHEBI:36544 +name: sialodiosylceramide +is_a: CHEBI:28892 ! ganglioside + +[Term] +id: CHEBI:36546 +name: sialomonoglycosylceramide +is_a: CHEBI:28892 ! ganglioside + +[Term] +id: CHEBI:36547 +name: pimarane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36550 +name: sorbate +is_a: CHEBI:24554 ! hexadienoate + +[Term] +id: CHEBI:36555 +name: N-acetylanthranilic acid +is_a: CHEBI:48470 ! amidobenzoic acid + +[Term] +id: CHEBI:36557 +name: N-methylanthranilate +is_a: CHEBI:22494 ! aminobenzoate +is_a: CHEBI:63473 ! aromatic amino-acid anion + +[Term] +id: CHEBI:36558 +name: 3-hydroxy-4-methylanthranilate +is_a: CHEBI:22494 ! aminobenzoate +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:36559 +name: 3-hydroxyanthranilate +is_a: CHEBI:22494 ! aminobenzoate +is_a: CHEBI:24675 ! hydroxybenzoate +is_a: CHEBI:63473 ! aromatic amino-acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36562 +name: main-group coordination entity +is_a: CHEBI:33240 ! coordination entity +is_a: CHEBI:33579 ! main group molecular entity + +[Term] +id: CHEBI:36564 +name: N-benzoyl-4-methoxyanthranilate +is_a: CHEBI:25236 ! methoxybenzoate +is_a: CHEBI:61666 ! amidobenzoate + +[Term] +id: CHEBI:36571 +name: prenylglycerol phosphate +is_a: CHEBI:37739 ! glycerophospholipid + +[Term] +id: CHEBI:36575 +name: N-formylanthranilic acid +is_a: CHEBI:48470 ! amidobenzoic acid + +[Term] +id: CHEBI:36586 +name: carbonyl compound +is_a: CHEBI:36587 ! organic oxo compound +is_a: CHEBI:36963 ! organooxygen compound +relationship: has_part CHEBI:23019 ! carbonyl group + +[Term] +id: CHEBI:36587 +name: organic oxo compound +is_a: CHEBI:72695 ! organic molecule +relationship: has_part CHEBI:46629 ! oxo group + +[Term] +id: CHEBI:36602 +name: 2-dehydro-L-idonate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:36606 +name: acid anhydride +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:36607 +name: cyclic acid anhydride +is_a: CHEBI:36606 ! acid anhydride + +[Term] +id: CHEBI:36608 +name: acyclic acid anhydride +is_a: CHEBI:36606 ! acid anhydride + +[Term] +id: CHEBI:36609 +name: cyclic dicarboxylic anhydride +is_a: CHEBI:35873 ! carboxylic anhydride +is_a: CHEBI:36607 ! cyclic acid anhydride + +[Term] +id: CHEBI:36611 +name: fenchane +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:36612 +name: (1R,4S)-fenchone +is_a: CHEBI:4999 ! fenchone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36615 +name: triterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:36622 +name: benzimidazole +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent + +[Term] +id: CHEBI:36623 +name: 4H-benzimidazole +is_a: CHEBI:36622 ! benzimidazole + +[Term] +id: CHEBI:36624 +name: naphthyridine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:50893 ! azaarene +is_a: CHEBI:52362 ! ortho-fused heteroarene + +[Term] +id: CHEBI:36628 +name: 1,8-naphthyridine +is_a: CHEBI:36624 ! naphthyridine + +[Term] +id: CHEBI:3663 +name: cholesteryl palmitate +is_a: CHEBI:17002 ! cholesteryl ester +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36635 +name: p-toluic acid +is_a: CHEBI:25280 ! methylbenzoic acid + +[Term] +id: CHEBI:36638 +name: fucosyl glycosphingolipid +is_a: CHEBI:25513 ! neutral glycosphingolipid + +[Term] +id: CHEBI:36639 +name: 2H-benzimidazole +is_a: CHEBI:36622 ! benzimidazole + +[Term] +id: CHEBI:36640 +name: glycoheptaosylceramide +is_a: CHEBI:36520 ! oligoglycosylceramide + +[Term] +id: CHEBI:36641 +name: 3aH-benzimidazole +is_a: CHEBI:36622 ! benzimidazole + +[Term] +id: CHEBI:36642 +name: glycohexaosylceramide +is_a: CHEBI:36520 ! oligoglycosylceramide + +[Term] +id: CHEBI:36647 +name: 2,3-dihydroxy-p-cumate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:36654 +name: 2,3-dihydroxybenzoate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:36655 +name: glyoxylate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36656 +name: phenylglyoxylate +is_a: CHEBI:51704 ! glyoxylates +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:36658 +name: 6-methylsalicylate +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:36659 +name: 3-(4-hydroxyphenyl)lactate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58896 ! 2-hydroxy carboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36660 +name: elemental tellurium +is_a: CHEBI:33305 ! tellurium molecular entity + +[Term] +id: CHEBI:36674 +name: phenazine +is_a: CHEBI:36416 ! mancude organic heterotricyclic parent +is_a: CHEBI:36680 ! heteranthrene +is_a: CHEBI:38180 ! polycyclic heteroarene +is_a: CHEBI:39201 ! phenazines +is_a: CHEBI:50893 ! azaarene + +[Term] +id: CHEBI:36680 +name: heteranthrene +is_a: CHEBI:26979 ! organic heterotricyclic compound + +[Term] +id: CHEBI:36682 +name: polychlorinated dibenzodioxine +is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds +is_a: CHEBI:23825 ! dibenzodioxine +is_a: CHEBI:36683 ! organochlorine compound +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:36683 +name: organochlorine compound +is_a: CHEBI:23117 ! chlorine molecular entity +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:36684 +name: organohalogen compound +is_a: CHEBI:33285 ! heteroorganic entity +is_a: CHEBI:37578 ! halide + +[Term] +id: CHEBI:36685 +name: chlorocarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:36686 +name: chloroarene +is_a: CHEBI:23115 ! chlorohydrocarbon +is_a: CHEBI:50887 ! haloarene + +[Term] +id: CHEBI:36687 +name: acyl chloride +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37579 ! acyl halide + +[Term] +id: CHEBI:36688 +name: heterotricyclic compound +is_a: CHEBI:33671 ! heteropolycyclic compound + +[Term] +id: CHEBI:36697 +name: 1,2,4,5-tetrachlorobenzene +is_a: CHEBI:26888 ! tetrachlorobenzene + +[Term] +id: CHEBI:36699 +name: corticosteroid hormone +is_a: CHEBI:26764 ! steroid hormone +is_a: CHEBI:50858 ! corticosteroid + +[Term] +id: CHEBI:36700 +name: phosphocholines +is_a: CHEBI:23213 ! choline ester +is_a: CHEBI:23217 ! cholines +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:36702 +name: 2-acyl-1-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:68489 ! alkyl,acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:78186 ! 1-alkyl-2-acyl-glycero-3-phosphocholine + +[Term] +id: CHEBI:36703 +name: tetrachloro-1,4-benzoquinone +is_a: CHEBI:132124 ! 1,4-benzoquinones +is_a: CHEBI:36683 ! organochlorine compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:77194 ! EC 2.7.1.33 (pantothenate kinase) inhibitor + +[Term] +id: CHEBI:36707 +name: 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:36709 +name: aminoquinoline +is_a: CHEBI:26513 ! quinolines +is_a: CHEBI:33860 ! aromatic amine + +[Term] +id: CHEBI:36711 +name: phosphoethanolamine +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:36712 +name: 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:68520 ! alkyl,acyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36713 +name: 5alpha-androstane-3alpha,17beta-diol +is_a: CHEBI:18011 ! androstane-3alpha,17beta-diol +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:36717 +name: monochlorobiphenyl +is_a: CHEBI:35446 ! chlorobiphenyl +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:36721 +name: pentachlorobiphenyl +is_a: CHEBI:53156 ! polychlorobiphenyl + +[Term] +id: CHEBI:36726 +name: 17,20-dihydroxypregn-4-en-3-one +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:36854 ! 20-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:36727 +name: 1-alkyl-2,3-diacylglycerol +is_a: CHEBI:76584 ! monoalkyldiacylglycerol + +[Term] +id: CHEBI:36728 +name: 20-hydroxypregn-4-en-3-one +is_a: CHEBI:36854 ! 20-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:36729 +name: (20R)-20-hydroxypregn-4-en-3-one +is_a: CHEBI:36728 ! 20-hydroxypregn-4-en-3-one + +[Term] +id: CHEBI:36730 +name: hydroxypregnenolone +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:36732 +name: bilene-b +is_a: CHEBI:36737 ! bilene + +[Term] +id: CHEBI:36733 +name: biladiene-ab +is_a: CHEBI:36738 ! biladiene + +[Term] +id: CHEBI:36735 +name: biladienes +is_a: CHEBI:25046 ! linear tetrapyrrole + +[Term] +id: CHEBI:36736 +name: bilenes +is_a: CHEBI:25046 ! linear tetrapyrrole + +[Term] +id: CHEBI:36737 +name: bilene +is_a: CHEBI:36736 ! bilenes + +[Term] +id: CHEBI:36738 +name: biladiene +is_a: CHEBI:36735 ! biladienes + +[Term] +id: CHEBI:36739 +name: fenchane monoterpenoid +is_a: CHEBI:25409 ! monoterpenoid + +[Term] +id: CHEBI:36740 +name: alpha-pinene +is_a: CHEBI:17187 ! pinene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36741 +name: phycoerythrobilin +is_a: CHEBI:36735 ! biladienes + +[Term] +id: CHEBI:36742 +name: p-menthan-3-one +is_a: CHEBI:25186 ! p-menthane monoterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36743 +name: germacrene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:36745 +name: cedrane sesquiterpenoid +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:36749 +name: dipyrrins +is_a: CHEBI:36316 ! dipyrrole + +[Term] +id: CHEBI:36750 +name: (R)-1-pyrroline-5-carboxylic acid +is_a: CHEBI:1372 ! 1-pyrroline-5-carboxylic acid + +[Term] +id: CHEBI:36751 +name: pyrrole-2-carboxylic acid +is_a: CHEBI:26454 ! pyrrolecarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36753 +name: eremophilane sesquiterpenoid +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:36754 +name: vetispirane +is_a: CHEBI:33599 ! spiro compound +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:36756 +name: farnesane +is_a: CHEBI:18310 ! alkane +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36757 +name: farnesane sesquiterpenoid +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:36758 +name: apo carotenoid sesquiterpenoid +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:36760 +name: ent-kaurane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:36761 +name: 1-pyrroline-2-carboxylic acid +is_a: CHEBI:19098 ! 1-pyrrolinecarboxylic acid + +[Term] +id: CHEBI:36762 +name: abietane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:36765 +name: gibberellane +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:36766 +name: ent-gibberellane +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:36768 +name: casbane +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:36770 +name: labdane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:36772 +name: diterpenyl phosphate +is_a: CHEBI:26875 ! terpenyl phosphate + +[Term] +id: CHEBI:36773 +name: camphor +is_a: CHEBI:22912 ! bornane monoterpenoid +is_a: CHEBI:23446 ! cyclic monoterpene ketone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:36775 +name: bornane-2,5-dione +is_a: CHEBI:22912 ! bornane monoterpenoid + +[Term] +id: CHEBI:36776 +name: (1S)-bornane-2,5-dione +is_a: CHEBI:36775 ! bornane-2,5-dione + +[Term] +id: CHEBI:36780 +name: triterpenyl phosphate +is_a: CHEBI:26875 ! terpenyl phosphate + +[Term] +id: CHEBI:36781 +name: 1-pyrrolinium +is_a: CHEBI:23763 ! pyrroline +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36782 +name: tetraterpenyl phosphate +is_a: CHEBI:26875 ! terpenyl phosphate + +[Term] +id: CHEBI:36783 +name: apo carotenoid triterpenoid +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:36785 +name: carbobicyclic compound +is_a: CHEBI:33636 ! bicyclic compound +is_a: CHEBI:35294 ! carbopolycyclic compound + +[Term] +id: CHEBI:36786 +name: tetralins +is_a: CHEBI:33836 ! benzenoid aromatic compound +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:36807 +name: hydrochloride +is_a: CHEBI:36094 ! organic chloride salt + +[Term] +id: CHEBI:36810 +name: (trifluoromethyl)benzene +is_a: CHEBI:46695 ! fluorohydrocarbon +is_a: CHEBI:83565 ! (trifluoromethyl)benzenes +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:36816 +name: oxime O-ether +is_a: CHEBI:25698 ! ether +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:36818 +name: seco-cholestane +is_a: CHEBI:35788 ! seco-steroid + +[Term] +id: CHEBI:36819 +name: seco-ergostane +is_a: CHEBI:35788 ! seco-steroid + +[Term] +id: CHEBI:36820 +name: ring assembly +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:36823 +name: pseudohalo group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:36828 +name: pseudohalide anion +is_a: CHEBI:36829 ! polyatomic monoanion + +[Term] +id: CHEBI:36829 +name: polyatomic monoanion +is_a: CHEBI:33273 ! polyatomic anion +is_a: CHEBI:36830 ! monoanion + +[Term] +id: CHEBI:36830 +name: monoanion +is_a: CHEBI:22563 ! anion + +[Term] +id: CHEBI:36834 +name: 3-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36835 +name: 3alpha-hydroxy steroid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:36836 +name: 3beta-hydroxy steroid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:36838 +name: 17-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36840 +name: 16-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36841 +name: 11-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36842 +name: 19-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36843 +name: 7alpha-hydroxy steroid +is_a: CHEBI:36844 ! 7-hydroxy steroid + +[Term] +id: CHEBI:36844 +name: 7-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36845 +name: 12-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36846 +name: 12alpha-hydroxy steroid +is_a: CHEBI:36845 ! 12-hydroxy steroid + +[Term] +id: CHEBI:36847 +name: 12beta-hydroxy steroid +is_a: CHEBI:36845 ! 12-hydroxy steroid + +[Term] +id: CHEBI:36848 +name: 5-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36849 +name: 6-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36850 +name: 6alpha-hydroxy steroid +is_a: CHEBI:36849 ! 6-hydroxy steroid + +[Term] +id: CHEBI:36851 +name: 6beta-hydroxy steroid +is_a: CHEBI:36849 ! 6-hydroxy steroid + +[Term] +id: CHEBI:36852 +name: 26-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36853 +name: hydroxy seco-steroid +is_a: CHEBI:35350 ! hydroxy steroid +is_a: CHEBI:35788 ! seco-steroid + +[Term] +id: CHEBI:36854 +name: 20-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36855 +name: 18-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36856 +name: hydrogen isocyanide +is_a: CHEBI:33405 ! hydracid + +[Term] +id: CHEBI:36857 +name: 2-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36859 +name: 2beta-hydroxy steroid +is_a: CHEBI:36857 ! 2-hydroxy steroid + +[Term] +id: CHEBI:36860 +name: 14-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36861 +name: 14alpha-hydroxy steroid +is_a: CHEBI:36860 ! 14-hydroxy steroid + +[Term] +id: CHEBI:36863 +name: 22-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36864 +name: 25-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36865 +name: 24-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36866 +name: 23-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:36871 +name: inorganic radical +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:26519 ! radical + +[Term] +id: CHEBI:36872 +name: organic radical +is_a: CHEBI:26519 ! radical + +[Term] +id: CHEBI:36873 +name: radical anion +is_a: CHEBI:22563 ! anion +is_a: CHEBI:36875 ! radical ion + +[Term] +id: CHEBI:36875 +name: radical ion +is_a: CHEBI:24870 ! ion +is_a: CHEBI:26519 ! radical + +[Term] +id: CHEBI:36876 +name: inorganic radical anion +is_a: CHEBI:36873 ! radical anion +is_a: CHEBI:36878 ! inorganic radical ion + +[Term] +id: CHEBI:36877 +name: organic radical anion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:36873 ! radical anion +is_a: CHEBI:36880 ! organic radical ion + +[Term] +id: CHEBI:36878 +name: inorganic radical ion +is_a: CHEBI:36871 ! inorganic radical +is_a: CHEBI:36875 ! radical ion + +[Term] +id: CHEBI:36880 +name: organic radical ion +is_a: CHEBI:25699 ! organic ion +is_a: CHEBI:36872 ! organic radical +is_a: CHEBI:36875 ! radical ion + +[Term] +id: CHEBI:36882 +name: (3S)-citramalyl-CoA +is_a: CHEBI:15457 ! citramalyl-CoA + +[Term] +id: CHEBI:36883 +name: 6-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:36884 +name: 26-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:36885 +name: 20-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:36886 +name: 21-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:36887 +name: 18-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:36891 +name: diatomic iodine +is_a: CHEBI:36893 ! elemental iodine + +[Term] +id: CHEBI:36892 +name: elemental fluorine +is_a: CHEBI:33434 ! elemental halogen + +[Term] +id: CHEBI:36893 +name: elemental iodine +is_a: CHEBI:33434 ! elemental halogen + +[Term] +id: CHEBI:36894 +name: elemental bromine +is_a: CHEBI:33434 ! elemental halogen + +[Term] +id: CHEBI:36895 +name: monoatomic fluorine +is_a: CHEBI:36892 ! elemental fluorine + +[Term] +id: CHEBI:36896 +name: monoatomic bromine +is_a: CHEBI:36894 ! elemental bromine + +[Term] +id: CHEBI:36897 +name: monoatomic iodine +is_a: CHEBI:36893 ! elemental iodine + +[Term] +id: CHEBI:368997 +name: N-benzyloxycarbonylglycinate +is_a: CHEBI:57670 ! N-acylglycinate + +[Term] +id: CHEBI:36902 +name: chalcogen hydride +is_a: CHEBI:33242 ! inorganic hydride +is_a: CHEBI:33304 ! chalcogen molecular entity + +[Term] +id: CHEBI:36903 +name: selenium hydride +is_a: CHEBI:26628 ! selenium molecular entity +is_a: CHEBI:36902 ! chalcogen hydride + +[Term] +id: CHEBI:36904 +name: elemental selenium +is_a: CHEBI:26628 ! selenium molecular entity + +[Term] +id: CHEBI:36914 +name: inorganic ion +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:24870 ! ion + +[Term] +id: CHEBI:36915 +name: inorganic cation +is_a: CHEBI:36914 ! inorganic ion +is_a: CHEBI:36916 ! cation + +[Term] +id: CHEBI:36916 +name: cation +is_a: CHEBI:24870 ! ion + +[Term] +id: CHEBI:36919 +name: antimony molecular entity +is_a: CHEBI:33302 ! pnictogen molecular entity +relationship: has_part CHEBI:30513 ! antimony atom + +[Term] +id: CHEBI:36920 +name: antimony oxoacid +is_a: CHEBI:33408 ! pnictogen oxoacid +is_a: CHEBI:50007 ! antimony coordination entity + +[Term] +id: CHEBI:36921 +name: antimony oxoanion +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:33459 ! pnictogen oxoanion +is_a: CHEBI:50007 ! antimony coordination entity + +[Term] +id: CHEBI:36926 +name: but-2-enoyl-CoA +is_a: CHEBI:22961 ! butenoyl-CoA + +[Term] +id: CHEBI:36941 +name: (S)-mandelonitrile +is_a: CHEBI:16910 ! mandelonitrile + +[Term] +id: CHEBI:36942 +name: pterin phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:26375 ! pterins +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:36943 +name: aryl phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:36946 +name: thiourea +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:51276 ! thioureas +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:23240 ! chromophore + +[Term] +id: CHEBI:36948 +name: oxoalkyl phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:36949 +name: hydroxyalkyl phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:36951 +name: aminoacyl phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:26051 ! phosphoamino acid + +[Term] +id: CHEBI:36952 +name: carboxyalkyl phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:36954 +name: condensed ureas +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:36958 +name: carbonothioic O,O-acid +is_a: CHEBI:36960 ! carbonothioic acid +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:36959 +name: carbonothioic O,S-acid +is_a: CHEBI:36960 ! carbonothioic acid +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:36960 +name: carbonothioic acid +is_a: CHEBI:35605 ! carbon oxoacid +is_a: CHEBI:36961 ! chalcocarbonic acid + +[Term] +id: CHEBI:36961 +name: chalcocarbonic acid +is_a: CHEBI:36962 ! organochalcogen compound + +[Term] +id: CHEBI:36962 +name: organochalcogen compound +is_a: CHEBI:33285 ! heteroorganic entity +is_a: CHEBI:33304 ! chalcogen molecular entity + +[Term] +id: CHEBI:36963 +name: organooxygen compound +is_a: CHEBI:25806 ! oxygen molecular entity +is_a: CHEBI:36962 ! organochalcogen compound + +[Term] +id: CHEBI:36969 +name: farnesoic acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:62488 ! signalling molecule + +[Term] +id: CHEBI:36970 +name: vitamin B6 phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:27306 ! vitamin B6 +is_a: CHEBI:37734 ! phosphoric ester +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:36971 +name: dodecatrienoic acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:36972 +name: dodeca-2,6,10-trienoic acid +is_a: CHEBI:36971 ! dodecatrienoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:36974 +name: aminoglycoside phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:36976 +name: nucleotide +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:36979 +name: N-glycosylpyridine +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:36980 +name: pyridine nucleotide +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:36981 +name: flavin nucleotide +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:36982 +name: cyclic purine nucleotide +is_a: CHEBI:23447 ! cyclic nucleotide +is_a: CHEBI:26395 ! purine nucleotide + +[Term] +id: CHEBI:36983 +name: cyclic pyrimidine nucleotide +is_a: CHEBI:23447 ! cyclic nucleotide +is_a: CHEBI:26441 ! pyrimidine nucleotide + +[Term] +id: CHEBI:36986 +name: mesaconate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:36987 +name: 3'-deoxyribonucleoside +is_a: CHEBI:23636 ! deoxyribonucleoside +is_a: CHEBI:47018 ! monohydroxytetrahydrofuran + +[Term] +id: CHEBI:36988 +name: 5'-deoxyribonucleoside +is_a: CHEBI:23636 ! deoxyribonucleoside + +[Term] +id: CHEBI:36991 +name: C-glycosyl pyrimidine +is_a: CHEBI:37086 ! C-nucleoside + +[Term] +id: CHEBI:36993 +name: purine 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:18241 ! 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:26388 ! purine 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide + +[Term] +id: CHEBI:36994 +name: pyrimidine 2'-deoxyribonucleoside 3'-monophosphate +is_a: CHEBI:19252 ! 2'-deoxyribonucleoside 3'-monophosphate +is_a: CHEBI:26434 ! pyrimidine 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:26436 ! pyrimidine 2'-deoxyribonucleotide + +[Term] +id: CHEBI:36995 +name: pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:18241 ! 2'-deoxyribonucleoside 5'-monophosphate +is_a: CHEBI:26434 ! pyrimidine 2'-deoxyribonucleoside monophosphate +is_a: CHEBI:26436 ! pyrimidine 2'-deoxyribonucleotide + +[Term] +id: CHEBI:36999 +name: perillic acid +is_a: CHEBI:23483 ! cyclohexenecarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37005 +name: (3S,5R)-1-pyrroline-3-hydroxy-5-carboxylic acid +is_a: CHEBI:27391 ! 1-pyrroline-3-hydroxy-5-carboxylic acid + +[Term] +id: CHEBI:37007 +name: nicotinamide dinucleotide +is_a: CHEBI:25527 ! nicotinamide nucleotide +is_a: CHEBI:47885 ! dinucleotide + +[Term] +id: CHEBI:37008 +name: nicotinic acid mononucleotide +is_a: CHEBI:25534 ! nicotinic acid nucleotide + +[Term] +id: CHEBI:37009 +name: ribonucleoside 3'-monophosphate +is_a: CHEBI:26558 ! ribonucleoside monophosphate +is_a: CHEBI:37013 ! ribonucleoside 3'-phosphate + +[Term] +id: CHEBI:37010 +name: ribonucleoside 5'-monophosphate +is_a: CHEBI:26558 ! ribonucleoside monophosphate +is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate + +[Term] +id: CHEBI:37011 +name: 4-oxoproline +is_a: CHEBI:25801 ! oxoproline +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:37012 +name: L-3-oxoalanine +is_a: CHEBI:17740 ! 3-oxoalanine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:37013 +name: ribonucleoside 3'-phosphate +is_a: CHEBI:16492 ! nucleoside 3'-phosphate +is_a: CHEBI:26561 ! ribonucleotide + +[Term] +id: CHEBI:37014 +name: 2'-deoxyribonucleoside 3'-phosphate +is_a: CHEBI:16492 ! nucleoside 3'-phosphate +is_a: CHEBI:19260 ! 2'-deoxyribonucleotide + +[Term] +id: CHEBI:37015 +name: ribonucleoside 5'-phosphate +is_a: CHEBI:16701 ! nucleoside 5'-phosphate +is_a: CHEBI:26561 ! ribonucleotide + +[Term] +id: CHEBI:37016 +name: 2'-deoxyribonucleoside 5'-phosphate +is_a: CHEBI:16701 ! nucleoside 5'-phosphate +is_a: CHEBI:19260 ! 2'-deoxyribonucleotide + +[Term] +id: CHEBI:37018 +name: pyrimidine ribonucleoside 3'-monophosphate +is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate +is_a: CHEBI:26446 ! pyrimidine ribonucleotide +is_a: CHEBI:37009 ! ribonucleoside 3'-monophosphate + +[Term] +id: CHEBI:37020 +name: purine ribonucleoside 3'-monophosphate +is_a: CHEBI:26397 ! purine ribonucleoside monophosphate +is_a: CHEBI:26400 ! purine ribonucleotide +is_a: CHEBI:37009 ! ribonucleoside 3'-monophosphate + +[Term] +id: CHEBI:37021 +name: purine ribonucleoside 5'-monophosphate +is_a: CHEBI:26397 ! purine ribonucleoside monophosphate +is_a: CHEBI:26400 ! purine ribonucleotide +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:37022 +name: amino-acid anion +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:37023 +name: L-2-aminoadipic acid +is_a: CHEBI:37024 ! 2-aminoadipic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37024 +name: 2-aminoadipic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:75768 ! mammalian metabolite +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite + +[Term] +id: CHEBI:37025 +name: D-2-aminoadipic acid +is_a: CHEBI:37024 ! 2-aminoadipic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:370252 +name: xylitol 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:37034 +name: O-acetyl-D-homoserine +is_a: CHEBI:7671 ! O-acetylhomoserine + +[Term] +id: CHEBI:37035 +name: 3-hydroxyhexanoic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:37036 +name: purine 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:16350 ! 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:26387 ! purine 2'-deoxyribonucleoside diphosphate +is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide + +[Term] +id: CHEBI:37037 +name: pyrimidine 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:16350 ! 2'-deoxyribonucleoside 5'-diphosphate +is_a: CHEBI:26433 ! pyrimidine 2'-deoxyribonucleoside diphosphate +is_a: CHEBI:26436 ! pyrimidine 2'-deoxyribonucleotide + +[Term] +id: CHEBI:37038 +name: purine ribonucleoside 5'-diphosphate +is_a: CHEBI:26396 ! purine ribonucleoside diphosphate +is_a: CHEBI:26400 ! purine ribonucleotide +is_a: CHEBI:37075 ! ribonucleoside 5'-diphosphate + +[Term] +id: CHEBI:37039 +name: pyrimidine ribonucleoside 5'-diphosphate +is_a: CHEBI:26442 ! pyrimidine ribonucleoside diphosphate +is_a: CHEBI:26446 ! pyrimidine ribonucleotide +is_a: CHEBI:37075 ! ribonucleoside 5'-diphosphate + +[Term] +id: CHEBI:37040 +name: C-nucleoside phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:37041 +name: N-methyl-2-oxoglutaramic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:37042 +name: purine 2'-deoxyribonucleoside 5'-triphosphate +is_a: CHEBI:16381 ! 2'-deoxyribonucleoside 5'-triphosphate +is_a: CHEBI:26389 ! purine deoxyribonucleoside triphosphate +is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide + +[Term] +id: CHEBI:37043 +name: pyrimidine 2'-deoxyribonucleoside 5'-triphosphate +is_a: CHEBI:16381 ! 2'-deoxyribonucleoside 5'-triphosphate +is_a: CHEBI:26435 ! pyrimidine deoxyribonucleoside triphosphate +is_a: CHEBI:26436 ! pyrimidine 2'-deoxyribonucleotide + +[Term] +id: CHEBI:37044 +name: pyrimidine ribonucleoside 5'-triphosphate +is_a: CHEBI:26444 ! pyrimidine ribonucleoside triphosphate +is_a: CHEBI:26446 ! pyrimidine ribonucleotide +is_a: CHEBI:37076 ! ribonucleoside 5'-triphosphate + +[Term] +id: CHEBI:37045 +name: purine ribonucleoside 5'-triphosphate +is_a: CHEBI:26398 ! purine ribonucleoside triphosphate +is_a: CHEBI:26400 ! purine ribonucleotide +is_a: CHEBI:37076 ! ribonucleoside 5'-triphosphate + +[Term] +id: CHEBI:37046 +name: p-menth-8-en-3-one +is_a: CHEBI:25186 ! p-menthane monoterpenoid + +[Term] +id: CHEBI:37047 +name: (+)-cis-isopulegone +is_a: CHEBI:37046 ! p-menth-8-en-3-one + +[Term] +id: CHEBI:37049 +name: (S)-3-hydroxyhexanoic acid +is_a: CHEBI:37035 ! 3-hydroxyhexanoic acid + +[Term] +id: CHEBI:37050 +name: 3-hydroxybutanoyl-CoA +is_a: CHEBI:24685 ! hydroxybutanoyl-CoA +is_a: CHEBI:65260 ! 3-hydroxyacyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:37051 +name: 3-hydroxy-2-methylbutanoic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:37052 +name: (2S,3S)-3-hydroxy-2-methylbutanoic acid +is_a: CHEBI:37051 ! 3-hydroxy-2-methylbutanoic acid + +[Term] +id: CHEBI:37054 +name: 3-hydroxybutyrate +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37056 +name: nucleoside tetraphosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:37058 +name: ribonucleoside tetraphosphate +is_a: CHEBI:37056 ! nucleoside tetraphosphate + +[Term] +id: CHEBI:37059 +name: purine nucleoside tetraphosphate +is_a: CHEBI:37056 ! nucleoside tetraphosphate + +[Term] +id: CHEBI:37063 +name: purine ribonucleoside tetraphosphate +is_a: CHEBI:37058 ! ribonucleoside tetraphosphate +is_a: CHEBI:37059 ! purine nucleoside tetraphosphate + +[Term] +id: CHEBI:37067 +name: purine ribonucleoside 5'-tetraphosphate +is_a: CHEBI:26400 ! purine ribonucleotide +is_a: CHEBI:37063 ! purine ribonucleoside tetraphosphate +is_a: CHEBI:37077 ! ribonucleoside 5'-tetraphosphate + +[Term] +id: CHEBI:37070 +name: 2-methylbutyric acid +is_a: CHEBI:38653 ! methylbutyric acid +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37075 +name: ribonucleoside 5'-diphosphate +is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate + +[Term] +id: CHEBI:37076 +name: ribonucleoside 5'-triphosphate +is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate + +[Term] +id: CHEBI:37077 +name: ribonucleoside 5'-tetraphosphate +is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate + +[Term] +id: CHEBI:37079 +name: 2-methylacetoacetic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:37080 +name: acrylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37081 +name: 3-aminobutanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33706 ! beta-amino acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:37084 +name: 3-hydroxyisovaleric acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37086 +name: C-nucleoside +is_a: CHEBI:20857 ! C-glycosyl compound + +[Term] +id: CHEBI:37088 +name: anthrol +is_a: CHEBI:37507 ! anthracenol + +[Term] +id: CHEBI:37089 +name: ortho-fused tricyclic hydrocarbon +is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon +is_a: CHEBI:51119 ! tricyclic hydrocarbon + +[Term] +id: CHEBI:37092 +name: 2'-deoxycytidine phosphate +is_a: CHEBI:23621 ! deoxycytidine phosphate + +[Term] +id: CHEBI:37096 +name: adenosine 5'-phosphate +is_a: CHEBI:22256 ! adenosine phosphate + +[Term] +id: CHEBI:37097 +name: adenosine 3'-phosphate +is_a: CHEBI:22256 ! adenosine phosphate + +[Term] +id: CHEBI:37098 +name: 3-hydroxyoctanoic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid + +[Term] +id: CHEBI:37099 +name: (R)-3-hydroxyoctanoic acid +is_a: CHEBI:37098 ! 3-hydroxyoctanoic acid +is_a: CHEBI:85678 ! (3R)-3-hydroxy fatty acid + +[Term] +id: CHEBI:371 +name: (S)-1-pyrroline-5-carboxylic acid +is_a: CHEBI:1372 ! 1-pyrroline-5-carboxylic acid + +[Term] +id: CHEBI:37100 +name: (S)-3-hydroxyoctanoic acid +is_a: CHEBI:37098 ! 3-hydroxyoctanoic acid + +[Term] +id: CHEBI:37102 +name: nucleoside pentaphosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:37105 +name: 2-aminopteridin-4(1H)-one +is_a: CHEBI:26374 ! pterin + +[Term] +id: CHEBI:37107 +name: 7-methyl-3-oxooctanoic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:37108 +name: 7-methyloctanoic acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid + +[Term] +id: CHEBI:37120 +name: guanosine 3'-phosphate +is_a: CHEBI:24455 ! guanosine phosphate + +[Term] +id: CHEBI:37121 +name: guanosine 5'-phosphate +is_a: CHEBI:24455 ! guanosine phosphate + +[Term] +id: CHEBI:37123 +name: nucleoside bisphosphate +is_a: CHEBI:25608 ! nucleoside phosphate + +[Term] +id: CHEBI:37124 +name: guanosine bisphosphate +is_a: CHEBI:24455 ! guanosine phosphate +is_a: CHEBI:61079 ! ribonucleoside bisphosphate +is_a: CHEBI:64620 ! purine ribonucleoside bisphosphate + +[Term] +id: CHEBI:37125 +name: 5-hydroxy monocarboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:37127 +name: 3-methylbut-2-enoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:37128 +name: caesium molecular entity +is_a: CHEBI:33296 ! alkali metal molecular entity +relationship: has_part CHEBI:30514 ! caesium atom + +[Term] +id: CHEBI:37141 +name: organobromine compound +is_a: CHEBI:22928 ! bromine molecular entity +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:37142 +name: organoiodine compound +is_a: CHEBI:24860 ! iodine molecular entity +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:37143 +name: organofluorine compound +is_a: CHEBI:24062 ! fluorine molecular entity +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:37146 +name: molybdopterin dinucleotide +is_a: CHEBI:47885 ! dinucleotide + +[Term] +id: CHEBI:37147 +name: dibromobenzene +is_a: CHEBI:37149 ! bromobenzenes + +[Term] +id: CHEBI:37148 +name: bromoarene +is_a: CHEBI:22926 ! bromohydrocarbon +is_a: CHEBI:50887 ! haloarene + +[Term] +id: CHEBI:37149 +name: bromobenzenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:37141 ! organobromine compound + +[Term] +id: CHEBI:37151 +name: 1,3-dibromobenzene +is_a: CHEBI:37147 ! dibromobenzene + +[Term] +id: CHEBI:37153 +name: EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor +is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor + +[Term] +id: CHEBI:37154 +name: fumarate(1-) +is_a: CHEBI:37155 ! hydrogen butenedioate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:37155 +name: hydrogen butenedioate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:37156 +name: maleate(1-) +is_a: CHEBI:132951 ! maleate +is_a: CHEBI:37155 ! hydrogen butenedioate + +[Term] +id: CHEBI:37157 +name: 3-oxodecanoic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid + +[Term] +id: CHEBI:37158 +name: bromocarboxylic acid +is_a: CHEBI:37141 ! organobromine compound + +[Term] +id: CHEBI:37162 +name: trans-2-dodecenoic acid +is_a: CHEBI:38371 ! 2-dodecenoic acid + +[Term] +id: CHEBI:37163 +name: glucan +is_a: CHEBI:37164 ! homopolysaccharide + +[Term] +id: CHEBI:37164 +name: homopolysaccharide +is_a: CHEBI:18154 ! polysaccharide + +[Term] +id: CHEBI:37165 +name: galactan +is_a: CHEBI:37164 ! homopolysaccharide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:37166 +name: xylan +is_a: CHEBI:37164 ! homopolysaccharide + +[Term] +id: CHEBI:37175 +name: organic hydride +is_a: CHEBI:33692 ! hydrides + +[Term] +id: CHEBI:37176 +name: mononuclear parent hydride +is_a: CHEBI:33692 ! hydrides + +[Term] +id: CHEBI:37190 +name: silicon coordination entity +is_a: CHEBI:26677 ! silicon molecular entity +is_a: CHEBI:36562 ! main-group coordination entity + +[Term] +id: CHEBI:37191 +name: silicon oxoanion +is_a: CHEBI:24834 ! inorganic anion +is_a: CHEBI:35406 ! oxoanion +is_a: CHEBI:37190 ! silicon coordination entity + +[Term] +id: CHEBI:37193 +name: elemental lead +is_a: CHEBI:33585 ! lead molecular entity + +[Term] +id: CHEBI:37196 +name: bismuth molecular entity +is_a: CHEBI:33302 ! pnictogen molecular entity +relationship: has_part CHEBI:33301 ! bismuth atom + +[Term] +id: CHEBI:37205 +name: pentol +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:37206 +name: hexol +is_a: CHEBI:26191 ! polyol + +[Term] +id: CHEBI:37207 +name: cis-3-dodecenoic acid +is_a: CHEBI:38373 ! 3-dodecenoic acid + +[Term] +id: CHEBI:37208 +name: pinitol +is_a: CHEBI:37205 ! pentol +is_a: CHEBI:61362 ! cyclitol ether +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:37209 +name: L-pinitol +is_a: CHEBI:37208 ! pinitol + +[Term] +id: CHEBI:37237 +name: elemental molybdenum +is_a: CHEBI:25370 ! molybdenum molecular entity + +[Term] +id: CHEBI:37239 +name: molybdenum cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:37237 ! elemental molybdenum + +[Term] +id: CHEBI:37240 +name: adenosine 3',5'-bisphosphate +is_a: CHEBI:22251 ! adenosine bisphosphate + +[Term] +id: CHEBI:37245 +name: (E)-3-methylglutaconic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:37246 +name: elemental sodium +is_a: CHEBI:26712 ! sodium molecular entity + +[Term] +id: CHEBI:37247 +name: elemental potassium +is_a: CHEBI:26217 ! potassium molecular entity + +[Term] +id: CHEBI:37248 +name: 3-hydroxypalmitic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid +is_a: CHEBI:72726 ! hydroxypalmitic acid + +[Term] +id: CHEBI:37250 +name: (S)-3-hydroxypalmitic acid +is_a: CHEBI:37248 ! 3-hydroxypalmitic acid + +[Term] +id: CHEBI:37251 +name: 3-oxopalmitic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid + +[Term] +id: CHEBI:37252 +name: (E)-hexadec-2-enoic acid +is_a: CHEBI:24548 ! hexadecenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:37253 +name: elemental zinc +is_a: CHEBI:27364 ! zinc molecular entity + +[Term] +id: CHEBI:37257 +name: phytanate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:83972 ! 3-methyl fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37258 +name: 2-hydroxyphytanic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid + +[Term] +id: CHEBI:37259 +name: 3-oxopimelic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:37260 +name: hept-2-enedioic acid +is_a: CHEBI:24522 ! heptenedioic acid + +[Term] +id: CHEBI:37270 +name: 3-oxotetradecanoic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid + +[Term] +id: CHEBI:37271 +name: trans-2-tetradecenoic acid +is_a: CHEBI:61366 ! 2-tetradecenoic acid + +[Term] +id: CHEBI:37273 +name: cis-11-tetradecenoic acid +is_a: CHEBI:38331 ! 11-tetradecenoic acid + +[Term] +id: CHEBI:37274 +name: trans-11-tetradecenoic acid +is_a: CHEBI:38331 ! 11-tetradecenoic acid + +[Term] +id: CHEBI:37276 +name: (1-hydroxycyclohexyl)acetic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:37283 +name: heptanoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:37287 +name: (3R)-3-isopropenyl-6-oxoheptanoic acid +is_a: CHEBI:64264 ! 3-isopropenyl-6-oxoheptanoic acid + +[Term] +id: CHEBI:37290 +name: 1-(phosphoribosyl)imidazolecarboxamide +is_a: CHEBI:26556 ! 1-ribosylimidazolecarboxamide +is_a: CHEBI:37292 ! 1-(phosphoribosyl)imidazole + +[Term] +id: CHEBI:37291 +name: (3S)-3-isopropenyl-6-oxoheptanoic acid +is_a: CHEBI:64264 ! 3-isopropenyl-6-oxoheptanoic acid + +[Term] +id: CHEBI:37292 +name: 1-(phosphoribosyl)imidazole +is_a: CHEBI:26562 ! ribose phosphate +is_a: CHEBI:37293 ! 1-ribosylimidazole + +[Term] +id: CHEBI:37293 +name: 1-ribosylimidazole +is_a: CHEBI:48117 ! 1-glycosylimidazole + +[Term] +id: CHEBI:37296 +name: 1-alkyl-2-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:17088 ! monoacyl-sn-glycerol 3-phosphate +is_a: CHEBI:22329 ! alkyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:37316 +name: (E,E)-piperic acid +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:37318 +name: 2-oxopent-4-enoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:37319 +name: 2-hydroxypenta-2,4-dienoate +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:37322 +name: penta-2,4-dienoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:37323 +name: 7,8-dimethylisoalloxazine +is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione + +[Term] +id: CHEBI:37324 +name: 7,8-dimethylbenzo[g]pteridine-2,4-dione +is_a: CHEBI:38925 ! benzopteridine + +[Term] +id: CHEBI:37325 +name: alloxazine +is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione + +[Term] +id: CHEBI:37326 +name: benzo[g]pteridine-2,4-dione +is_a: CHEBI:38925 ! benzopteridine + +[Term] +id: CHEBI:37327 +name: isoalloxazine +is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione + +[Term] +id: CHEBI:37328 +name: phosphatidylinositol bisphosphate +is_a: CHEBI:28765 ! phosphatidylinositol phosphate + +[Term] +id: CHEBI:37329 +name: phosphatidylinositol 5-phosphate +is_a: CHEBI:26036 ! phosphatidylinositol monophosphate + +[Term] +id: CHEBI:37331 +name: (E)-penta-2,4-dienoic acid +is_a: CHEBI:35964 ! penta-2,4-dienoic acid + +[Term] +id: CHEBI:37332 +name: tropane alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:38295 ! azabicycloalkane + +[Term] +id: CHEBI:37334 +name: diagnostic imaging agent +is_a: CHEBI:33295 ! diagnostic agent + +[Term] +id: CHEBI:37335 +name: MRI contrast agent +is_a: CHEBI:37334 ! diagnostic imaging agent + +[Term] +id: CHEBI:37371 +name: (S)-3-hydroxydecanoic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:37373 +name: (S)-3-hydroxyisobutyric acid +is_a: CHEBI:18064 ! 3-hydroxyisobutyric acid + +[Term] +id: CHEBI:37374 +name: (S)-3-hydroxytetradecanoic acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:37390 +name: azoxy compound +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:37392 +name: ribonic acid phosphate +is_a: CHEBI:22300 ! aldonic acid phosphate + +[Term] +id: CHEBI:37393 +name: 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate +is_a: CHEBI:17264 ! phosphatidylglycerol phosphate + +[Term] +id: CHEBI:37395 +name: mucopolysaccharide +is_a: CHEBI:18085 ! glycosaminoglycan + +[Term] +id: CHEBI:37396 +name: proteoglycan +is_a: CHEBI:17089 ! glycoprotein +is_a: CHEBI:65212 ! polysaccharide derivative + +[Term] +id: CHEBI:37397 +name: chondroitin sulfate +is_a: CHEBI:35722 ! sulfated glycosaminoglycan +is_a: CHEBI:37395 ! mucopolysaccharide + +[Term] +id: CHEBI:37398 +name: nucleotide-aldonic acid +is_a: CHEBI:35241 ! nucleotide-carbohydrate + +[Term] +id: CHEBI:37404 +name: elemental copper +is_a: CHEBI:23377 ! copper molecular entity + +[Term] +id: CHEBI:37407 +name: cyclic ether +is_a: CHEBI:25698 ! ether +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:37409 +name: crown compound +is_a: CHEBI:24532 ! organic heterocyclic compound + +[Term] +id: CHEBI:37412 +name: phosphoshikimic acid +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:37416 +name: EC 2.7.7.6 (RNA polymerase) inhibitor +is_a: CHEBI:76815 ! EC 2.7.7.* (nucleotidyltransferase) inhibitor + +[Term] +id: CHEBI:37420 +name: 12-hydroxyjasmonic acid +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:36140 ! cyclopentanones +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:37421 +name: carbohydrate lactone +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:37422 +name: arabinono-1,4-lactone +is_a: CHEBI:22598 ! arabinonolactone + +[Term] +id: CHEBI:37424 +name: sterol 3-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:61655 ! steroid saponin + +[Term] +id: CHEBI:37425 +name: L-galactonic acid +is_a: CHEBI:24149 ! galactonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:37426 +name: aldarolactone +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:37421 ! carbohydrate lactone + +[Term] +id: CHEBI:37427 +name: ketoaldonolactone +is_a: CHEBI:37421 ! carbohydrate lactone + +[Term] +id: CHEBI:37429 +name: aldonolactone phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:37431 +name: uronolactone +is_a: CHEBI:37421 ! carbohydrate lactone + +[Term] +id: CHEBI:37432 +name: mannonolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:37433 +name: gulonolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:37434 +name: ribonolactone +is_a: CHEBI:22302 ! aldonolactone + +[Term] +id: CHEBI:37440 +name: 3-oxoadipic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37445 +name: folic acids +is_a: CHEBI:26375 ! pterins +is_a: CHEBI:83982 ! L-glutamic acid derivative + +[Term] +id: CHEBI:37448 +name: 2-dehydro-3-deoxy-L-fuconate +is_a: CHEBI:24961 ! ketoaldonate +is_a: CHEBI:33769 ! fuconates + +[Term] +id: CHEBI:37449 +name: 2-deoxy-alpha-D-glucoside +is_a: CHEBI:19555 ! 2-deoxy-D-glucoside + +[Term] +id: CHEBI:37450 +name: 2-methoxyestrone 3-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:37453 +name: phenanthrenediol +is_a: CHEBI:25961 ! phenanthrenes + +[Term] +id: CHEBI:37455 +name: ribulose 5-phosphate +is_a: CHEBI:26573 ! ribulose phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:37462 +name: L-tagatose +is_a: CHEBI:33954 ! tagatose + +[Term] +id: CHEBI:37463 +name: ADP-D-ribose 2'-phosphate +is_a: CHEBI:17193 ! ADP-aldose +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:37464 +name: 3,4-dihydrophenanthrene-3,4-diol +is_a: CHEBI:23738 ! dihydrophenanthrenediol + +[Term] +id: CHEBI:37465 +name: (3R,4S)-3,4-dihydrophenanthrene-3,4-diol +is_a: CHEBI:23286 ! cis-3,4-dihydrophenanthrene-3,4-diol + +[Term] +id: CHEBI:37466 +name: O-phosphocorrinoid +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:37469 +name: 9,10-dihydrophenanthrene-9,10-diol +is_a: CHEBI:23738 ! dihydrophenanthrenediol + +[Term] +id: CHEBI:37470 +name: trans-9,10-dihydrophenanthrene-9,10-diol +is_a: CHEBI:37469 ! 9,10-dihydrophenanthrene-9,10-diol + +[Term] +id: CHEBI:37480 +name: D-galactopyranose 1-phosphate +is_a: CHEBI:20960 ! galactose phosphate +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:37481 +name: amidoalkyl phosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:37483 +name: monohydroxyanthraquinone +is_a: CHEBI:37485 ! hydroxyanthraquinones + +[Term] +id: CHEBI:37484 +name: dihydroxyanthraquinone +is_a: CHEBI:37485 ! hydroxyanthraquinones + +[Term] +id: CHEBI:37485 +name: hydroxyanthraquinones +is_a: CHEBI:22580 ! anthraquinone +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:37488 +name: trihydroxyanthraquinone +is_a: CHEBI:37485 ! hydroxyanthraquinones + +[Term] +id: CHEBI:37493 +name: 1D-myo-inositol 5-phosphate +is_a: CHEBI:25446 ! myo-inositol monophosphate + +[Term] +id: CHEBI:37496 +name: tetrahydroxyanthraquinone +is_a: CHEBI:37485 ! hydroxyanthraquinones + +[Term] +id: CHEBI:37507 +name: anthracenol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:46955 ! anthracenes + +[Term] +id: CHEBI:37511 +name: thiophosphate +is_a: CHEBI:26020 ! phosphate + +[Term] +id: CHEBI:37512 +name: organic thiophosphate +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:25716 ! organothiophosphorus compound +is_a: CHEBI:37511 ! thiophosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:37515 +name: D-fructofuranose 1-phosphate +is_a: CHEBI:78736 ! D-fructose 1-phosphate + +[Term] +id: CHEBI:37519 +name: cyclohepta-1,3,5-triene +is_a: CHEBI:33662 ! annulene +is_a: CHEBI:51732 ! cycloheptatriene + +[Term] +id: CHEBI:37525 +name: O-phospho-L-threonine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84189 ! L-threonine derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:37526 +name: tigliane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:37527 +name: acid +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:37528 +name: sn-glycerol 1-phosphates +is_a: CHEBI:26707 ! glycerol phosphate + +[Term] +id: CHEBI:37530 +name: phosphatidylinositol 4-phosphate +is_a: CHEBI:26036 ! phosphatidylinositol monophosphate + +[Term] +id: CHEBI:37531 +name: polyprenyl diphosphate +is_a: CHEBI:16460 ! polyprenol phosphate + +[Term] +id: CHEBI:37532 +name: phorbol ester +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:52557 ! tetracyclic diterpenoid + +[Term] +id: CHEBI:37533 +name: azo compound +is_a: CHEBI:51143 ! nitrogen molecular entity +relationship: has_part CHEBI:30106 ! azo group + +[Term] +id: CHEBI:37534 +name: ribitol 5-phosphate +is_a: CHEBI:22295 ! alditol 5-phosphate +is_a: CHEBI:26554 ! ribitol phosphate + +[Term] +id: CHEBI:37537 +name: phorbol 13-acetate 12-myristate +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:37532 ! phorbol ester +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:51307 ! diester +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:64018 ! protein kinase C agonist + +[Term] +id: CHEBI:37545 +name: altrarate(2-) +is_a: CHEBI:48916 ! altraric acid anion + +[Term] +id: CHEBI:37546 +name: D-altrarate(2-) +is_a: CHEBI:37545 ! altrarate(2-) + +[Term] +id: CHEBI:37547 +name: L-altrarate(2-) +is_a: CHEBI:37545 ! altrarate(2-) + +[Term] +id: CHEBI:37549 +name: glycoside phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:37550 +name: sphingosine 1-phosphate +is_a: CHEBI:77068 ! sphingoid 1-phosphate +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:63114 ! sphingosine-1-phosphate receptor agonist +relationship: has_role CHEBI:63173 ! T-cell proliferation inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:37554 +name: fatty acyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +is_a: CHEBI:61697 ! fatty acid derivative + +[Term] +id: CHEBI:37555 +name: omega-carboxyacyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:37556 +name: O-(alpha-D-mannosyl)-L-serine +is_a: CHEBI:21957 ! O-glycosyl-L-serine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:37557 +name: O-(alpha-D-mannosyl)-L-threonine +is_a: CHEBI:21958 ! O-glycosyl-L-threonine + +[Term] +id: CHEBI:37558 +name: aryl dialkyl phosphate +is_a: CHEBI:16648 ! dialkyl phosphate +is_a: CHEBI:36943 ! aryl phosphate + +[Term] +id: CHEBI:37563 +name: CTP(4-) +is_a: CHEBI:61557 ! nucleoside triphosphate(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37565 +name: GTP(4-) +is_a: CHEBI:61557 ! nucleoside triphosphate(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37568 +name: dTTP(4-) +is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37569 +name: (+)-abscisate +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:62071 ! 2-cis-abscisate + +[Term] +id: CHEBI:37573 +name: (2R)-DIMBOA glucoside +is_a: CHEBI:16603 ! DIMBOA glucoside + +[Term] +id: CHEBI:37574 +name: thiamine(1+) monophosphate(1-) +is_a: CHEBI:26945 ! thiamine phosphate + +[Term] +id: CHEBI:37575 +name: thiamine(1+) monophosphate(2-) +is_a: CHEBI:26945 ! thiamine phosphate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37576 +name: gallate ester +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:36054 ! benzoate ester + +[Term] +id: CHEBI:37577 +name: heteroatomic molecular entity +is_a: CHEBI:36357 ! polyatomic entity + +[Term] +id: CHEBI:37578 +name: halide +is_a: CHEBI:24471 ! halogen molecular entity +is_a: CHEBI:37577 ! heteroatomic molecular entity + +[Term] +id: CHEBI:37579 +name: acyl halide +is_a: CHEBI:37578 ! halide + +[Term] +id: CHEBI:37581 +name: gamma-lactone +is_a: CHEBI:25000 ! lactone + +[Term] +id: CHEBI:37584 +name: nicotinic acid dinucleotide +is_a: CHEBI:25534 ! nicotinic acid nucleotide +is_a: CHEBI:47885 ! dinucleotide + +[Term] +id: CHEBI:37586 +name: sodium phosphate +is_a: CHEBI:24838 ! inorganic phosphate +is_a: CHEBI:26714 ! sodium salt + +[Term] +id: CHEBI:37588 +name: phosphonic acid derivative +is_a: CHEBI:36359 ! phosphorus oxoacid derivative + +[Term] +id: CHEBI:37592 +name: organic phosphonate +is_a: CHEBI:25710 ! organophosphorus compound +is_a: CHEBI:26066 ! phosphonate + +[Term] +id: CHEBI:37598 +name: nitrogen mustard +is_a: CHEBI:35352 ! organonitrogen compound +relationship: has_role CHEBI:22333 ! alkylating agent + +[Term] +id: CHEBI:37602 +name: allenes +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:37604 +name: cis-octadec-9-ene +is_a: CHEBI:37605 ! octadec-9-ene + +[Term] +id: CHEBI:37605 +name: octadec-9-ene +is_a: CHEBI:37606 ! octadecene + +[Term] +id: CHEBI:37606 +name: octadecene +is_a: CHEBI:32878 ! alkene + +[Term] +id: CHEBI:37607 +name: trans-octadec-9-ene +is_a: CHEBI:37605 ! octadec-9-ene + +[Term] +id: CHEBI:37610 +name: cyclohexa-1,3-diene +is_a: CHEBI:37613 ! cyclohexadiene + +[Term] +id: CHEBI:37611 +name: cyclohexa-1,4-diene +is_a: CHEBI:37613 ! cyclohexadiene + +[Term] +id: CHEBI:37613 +name: cyclohexadiene +is_a: CHEBI:36401 ! cycloalkadiene + +[Term] +id: CHEBI:37614 +name: alkenyl group +is_a: CHEBI:33248 ! hydrocarbyl group + +[Term] +id: CHEBI:37617 +name: aldehydo-L-galactose +is_a: CHEBI:37618 ! L-galactose +is_a: CHEBI:37662 ! aldehydo-galactose + +[Term] +id: CHEBI:37618 +name: L-galactose +is_a: CHEBI:28260 ! galactose + +[Term] +id: CHEBI:37619 +name: L-galactopyranose +is_a: CHEBI:37618 ! L-galactose +is_a: CHEBI:37621 ! galactopyranose + +[Term] +id: CHEBI:37620 +name: beta-L-galactose +is_a: CHEBI:37619 ! L-galactopyranose + +[Term] +id: CHEBI:37621 +name: galactopyranose +is_a: CHEBI:28260 ! galactose + +[Term] +id: CHEBI:37622 +name: carboxamide +is_a: CHEBI:33256 ! primary amide +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:36963 ! organooxygen compound +relationship: has_part CHEBI:23004 ! carbamoyl group + +[Term] +id: CHEBI:37623 +name: 7alpha,25-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36864 ! 25-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37624 +name: L-glucose +is_a: CHEBI:17234 ! glucose + +[Term] +id: CHEBI:37627 +name: L-glucopyranose +is_a: CHEBI:37624 ! L-glucose +is_a: CHEBI:37661 ! glucopyranose + +[Term] +id: CHEBI:37630 +name: alpha-L-glucose +is_a: CHEBI:37627 ! L-glucopyranose + +[Term] +id: CHEBI:37631 +name: beta-L-glucose +is_a: CHEBI:37627 ! L-glucopyranose + +[Term] +id: CHEBI:37639 +name: polysaccharide phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:65212 ! polysaccharide derivative + +[Term] +id: CHEBI:37640 +name: (24S)-7alpha,24-dihydroxycholesterol +is_a: CHEBI:50517 ! 7alpha,24-dihydroxycholesterol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37642 +name: (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:15493 ! 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA + +[Term] +id: CHEBI:37643 +name: (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA +is_a: CHEBI:15493 ! 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37645 +name: luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] 4'-O-beta-D-glucosiduronic acid +is_a: CHEBI:25091 ! luteolin O-glucuronoside +is_a: CHEBI:38686 ! dihydroxyflavone + +[Term] +id: CHEBI:37646 +name: 2-acyl-sn-glycero-3-phosphoserine +is_a: CHEBI:68510 ! lysophosphatidylserine + +[Term] +id: CHEBI:37649 +name: purine ribonucleoside 2'-monophosphate +is_a: CHEBI:26397 ! purine ribonucleoside monophosphate +is_a: CHEBI:26558 ! ribonucleoside monophosphate +is_a: CHEBI:37650 ! ribonucleoside 2'-monophosphate + +[Term] +id: CHEBI:37650 +name: ribonucleoside 2'-monophosphate +is_a: CHEBI:26558 ! ribonucleoside monophosphate +is_a: CHEBI:53010 ! nucleoside 2'-phosphate + +[Term] +id: CHEBI:37651 +name: pyrimidine ribonucleoside 2'-monophosphate +is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate +is_a: CHEBI:37650 ! ribonucleoside 2'-monophosphate + +[Term] +id: CHEBI:37653 +name: phosphoerythronic acid +is_a: CHEBI:49062 ! tetronic acid phosphate + +[Term] +id: CHEBI:37654 +name: erythronic acid +is_a: CHEBI:49060 ! 2,3,4-trihydroxybutanoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37655 +name: D-erythronic acid +is_a: CHEBI:37654 ! erythronic acid + +[Term] +id: CHEBI:37659 +name: oleanolic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:3766 +name: clozapine +is_a: CHEBI:22720 ! benzodiazepine +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:46848 ! N-arylpiperazine +is_a: CHEBI:46920 ! N-methylpiperazine +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:37887 ! adrenergic antagonist +relationship: has_role CHEBI:37956 ! histamine antagonist +relationship: has_role CHEBI:48279 ! serotonergic antagonist +relationship: has_role CHEBI:48561 ! dopaminergic antagonist +relationship: has_role CHEBI:48876 ! muscarinic antagonist +relationship: has_role CHEBI:65191 ! second generation antipsychotic +relationship: has_role CHEBI:65259 ! GABA antagonist +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:37661 +name: glucopyranose +is_a: CHEBI:17234 ! glucose + +[Term] +id: CHEBI:37662 +name: aldehydo-galactose +is_a: CHEBI:28260 ! galactose + +[Term] +id: CHEBI:37667 +name: sesquiterpene lactone +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:37668 ! terpene lactone + +[Term] +id: CHEBI:37668 +name: terpene lactone +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:37669 +name: methanopterins +is_a: CHEBI:26375 ! pterins +is_a: CHEBI:36942 ! pterin phosphate + +[Term] +id: CHEBI:37670 +name: protease inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor + +[Term] +id: CHEBI:37671 +name: (1->3)-beta-D-glucan +is_a: CHEBI:28793 ! beta-D-glucan +is_a: CHEBI:72813 ! exopolysaccharide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:37673 +name: ajmalan +is_a: CHEBI:38482 ! indole alkaloid fundamental parent +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:37674 +name: 17-O-acetylajmaline +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:37676 +name: L-mannose +is_a: CHEBI:37684 ! mannose + +[Term] +id: CHEBI:37677 +name: L-mannopyranose +is_a: CHEBI:37676 ! L-mannose +is_a: CHEBI:37683 ! mannopyranose + +[Term] +id: CHEBI:37679 +name: beta-L-mannose +is_a: CHEBI:37677 ! L-mannopyranose + +[Term] +id: CHEBI:37680 +name: alpha-L-mannose +is_a: CHEBI:37677 ! L-mannopyranose + +[Term] +id: CHEBI:37683 +name: mannopyranose +is_a: CHEBI:37684 ! mannose + +[Term] +id: CHEBI:37684 +name: mannose +is_a: CHEBI:33917 ! aldohexose +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:37690 +name: allose +is_a: CHEBI:33917 ! aldohexose +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:37694 +name: O-phospho peptide +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester + +[Term] +id: CHEBI:37696 +name: carbohydrate acid ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:63436 ! carbohydrate acid derivative + +[Term] +id: CHEBI:37697 +name: indolocarbazole alkaloid +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:51915 ! indolocarbazole + +[Term] +id: CHEBI:37699 +name: protein kinase inhibitor +is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor + +[Term] +id: CHEBI:37700 +name: EC 2.7.11.13 (protein kinase C) inhibitor +is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor + +[Term] +id: CHEBI:37702 +name: aldonate ester phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate + +[Term] +id: CHEBI:37708 +name: altrose +is_a: CHEBI:33917 ! aldohexose + +[Term] +id: CHEBI:37712 +name: O-phosphoserine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:26649 ! serine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:37713 +name: O-phospho-D-serine +is_a: CHEBI:37712 ! O-phosphoserine + +[Term] +id: CHEBI:37721 +name: D-fructofuranose +is_a: CHEBI:15824 ! D-fructose +is_a: CHEBI:37722 ! fructofuranose + +[Term] +id: CHEBI:37722 +name: fructofuranose +is_a: CHEBI:28757 ! fructose + +[Term] +id: CHEBI:37723 +name: keto-fructose +is_a: CHEBI:28757 ! fructose + +[Term] +id: CHEBI:37724 +name: keto-L-fructose +is_a: CHEBI:28120 ! L-fructose +is_a: CHEBI:37723 ! keto-fructose + +[Term] +id: CHEBI:37725 +name: L-fructofuranose +is_a: CHEBI:28120 ! L-fructose +is_a: CHEBI:37722 ! fructofuranose + +[Term] +id: CHEBI:37733 +name: EC 3.1.1.8 (cholinesterase) inhibitor +is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor + +[Term] +id: CHEBI:37734 +name: phosphoric ester +is_a: CHEBI:26079 ! phosphoric acid derivative +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:37735 +name: phosphonic ester +is_a: CHEBI:35701 ! ester +is_a: CHEBI:37588 ! phosphonic acid derivative + +[Term] +id: CHEBI:37736 +name: D-fructofuranose 1,6-bisphosphate +is_a: CHEBI:78682 ! D-fructose 1,6-bisphosphate + +[Term] +id: CHEBI:37737 +name: 5-phospho-beta-D-ribosylamine +is_a: CHEBI:17284 ! 5-phospho-D-ribosylamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:37738 +name: undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide + +[Term] +id: CHEBI:37739 +name: glycerophospholipid +is_a: CHEBI:16247 ! phospholipid +is_a: CHEBI:35741 ! glycerolipid + +[Term] +id: CHEBI:37740 +name: beta-L-allose +is_a: CHEBI:37741 ! L-allopyranose + +[Term] +id: CHEBI:37741 +name: L-allopyranose +is_a: CHEBI:37742 ! allopyranose +is_a: CHEBI:37747 ! L-allose + +[Term] +id: CHEBI:37742 +name: allopyranose +is_a: CHEBI:37690 ! allose + +[Term] +id: CHEBI:37746 +name: aldehydo-L-allose +is_a: CHEBI:37747 ! L-allose +is_a: CHEBI:37748 ! aldehydo-allose + +[Term] +id: CHEBI:37747 +name: L-allose +is_a: CHEBI:37690 ! allose + +[Term] +id: CHEBI:37748 +name: aldehydo-allose +is_a: CHEBI:37690 ! allose + +[Term] +id: CHEBI:37749 +name: halogen oxide +is_a: CHEBI:24471 ! halogen molecular entity +is_a: CHEBI:24836 ! inorganic oxide + +[Term] +id: CHEBI:37750 +name: chlorine oxide +is_a: CHEBI:37749 ! halogen oxide + +[Term] +id: CHEBI:37753 +name: pseudooxynicotine +is_a: CHEBI:26416 ! pyridine alkaloid +is_a: CHEBI:38208 ! aminoacylpyridine + +[Term] +id: CHEBI:37754 +name: 6-hydroxypseudooxynicotine +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:37755 +name: 4-(methylamino)butyric acid +is_a: CHEBI:33707 ! gamma-amino acid + +[Term] +id: CHEBI:37757 +name: iodoalkane +is_a: CHEBI:24469 ! haloalkane + +[Term] +id: CHEBI:37763 +name: elemental silicon +is_a: CHEBI:26677 ! silicon molecular entity + +[Term] +id: CHEBI:37773 +name: organic phosphoramidate +is_a: CHEBI:25703 ! organic phosphate + +[Term] +id: CHEBI:37783 +name: organosulfinic acid +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:37784 ! sulfinic acid derivative +is_a: CHEBI:64709 ! organic acid + +[Term] +id: CHEBI:37784 +name: sulfinic acid derivative +is_a: CHEBI:33424 ! sulfur oxoacid derivative + +[Term] +id: CHEBI:37785 +name: organosulfinate oxoanion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:37786 +name: acyclic phosphorus acid anhydride +is_a: CHEBI:36608 ! acyclic acid anhydride + +[Term] +id: CHEBI:37787 +name: acyclic mixed acid anhydride +is_a: CHEBI:36608 ! acyclic acid anhydride + +[Term] +id: CHEBI:37788 +name: O(4)-phospho-L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:74956 ! O(4)-phosphotyrosine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:37793 +name: amino sulfonic acid +is_a: CHEBI:33551 ! organosulfonic acid +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:37794 +name: aminosulfinic acid +is_a: CHEBI:37783 ! organosulfinic acid + +[Term] +id: CHEBI:37798 +name: cyclic phosphorus acid anhydride +is_a: CHEBI:36607 ! cyclic acid anhydride + +[Term] +id: CHEBI:37806 +name: penicillanic acid +is_a: CHEBI:25865 ! penicillanic acids + +[Term] +id: CHEBI:37808 +name: butane +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:78017 ! food propellant +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:37809 +name: trans-dec-3-enoic acid +is_a: CHEBI:61200 ! 3-decenoic acid + +[Term] +id: CHEBI:37810 +name: octadecatetraenoic acid +is_a: CHEBI:132503 ! fatty acid 18:4 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36326 ! octadecanoid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:37812 +name: dialkylglycerol +is_a: CHEBI:64611 ! ether lipid + +[Term] +id: CHEBI:37814 +name: dialkylglycerophosphoethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine + +[Term] +id: CHEBI:37826 +name: sulfuric acid derivative +is_a: CHEBI:33424 ! sulfur oxoacid derivative + +[Term] +id: CHEBI:37827 +name: thiosulfuric acid derivative +is_a: CHEBI:33424 ! sulfur oxoacid derivative + +[Term] +id: CHEBI:37834 +name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene +is_a: CHEBI:37835 ! alkatetraene + +[Term] +id: CHEBI:37835 +name: alkatetraene +is_a: CHEBI:33645 ! acyclic olefin + +[Term] +id: CHEBI:37838 +name: carboacyl group +is_a: CHEBI:22221 ! acyl group + +[Term] +id: CHEBI:37839 +name: heterocyclyl sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:26819 ! sulfuric ester + +[Term] +id: CHEBI:37840 +name: hydroxyflavone sulfate +is_a: CHEBI:37839 ! heterocyclyl sulfate + +[Term] +id: CHEBI:37841 +name: isoprenoid phosphate +is_a: CHEBI:16247 ! phospholipid + +[Term] +id: CHEBI:37845 +name: growth hormone +is_a: CHEBI:24621 ! hormone + +[Term] +id: CHEBI:37846 +name: imidazo[1,2-a]pyrazine +is_a: CHEBI:37847 ! imidazopyrazine +is_a: CHEBI:38180 ! polycyclic heteroarene +is_a: CHEBI:50893 ! azaarene + +[Term] +id: CHEBI:37847 +name: imidazopyrazine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:37848 +name: plant hormone +is_a: CHEBI:24621 ! hormone +is_a: CHEBI:26155 ! plant growth regulator + +[Term] +id: CHEBI:37852 +name: organoammonium sulfate salt +is_a: CHEBI:46850 ! organoammonium salt +is_a: CHEBI:51337 ! organic sulfate salt + +[Term] +id: CHEBI:37858 +name: sulfenic acid +is_a: CHEBI:33402 ! sulfur oxoacid + +[Term] +id: CHEBI:37859 +name: sulfenate +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:37861 +name: nucleotide-sugar sulfate +is_a: CHEBI:35724 ! carbohydrate sulfate + +[Term] +id: CHEBI:37862 +name: O-sulfoamino acid +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:26819 ! sulfuric ester + +[Term] +id: CHEBI:37863 +name: chalcoperoxol +is_a: CHEBI:36962 ! organochalcogen compound + +[Term] +id: CHEBI:37864 +name: thioperoxol +is_a: CHEBI:37863 ! chalcoperoxol + +[Term] +id: CHEBI:37868 +name: octanol +is_a: CHEBI:24026 ! fatty alcohol + +[Term] +id: CHEBI:37875 +name: acyl sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride + +[Term] +id: CHEBI:37876 +name: O-acylglucosamine +is_a: CHEBI:24271 ! glucosamines + +[Term] +id: CHEBI:37878 +name: glucosamine sulfate +is_a: CHEBI:24585 ! hexosamine sulfate +is_a: CHEBI:37876 ! O-acylglucosamine + +[Term] +id: CHEBI:37886 +name: adrenergic agonist +is_a: CHEBI:37962 ! adrenergic agent + +[Term] +id: CHEBI:37887 +name: adrenergic antagonist +is_a: CHEBI:37962 ! adrenergic agent + +[Term] +id: CHEBI:37888 +name: (1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid +is_a: CHEBI:18340 ! cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid + +[Term] +id: CHEBI:37889 +name: (1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid +is_a: CHEBI:18340 ! cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid + +[Term] +id: CHEBI:3789 +name: cobalt-precorrin-6B +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:37890 +name: alpha-adrenergic antagonist +is_a: CHEBI:37887 ! adrenergic antagonist +is_a: CHEBI:48539 ! alpha-adrenergic drug + +[Term] +id: CHEBI:37898 +name: tyrosyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group + +[Term] +id: CHEBI:3790 +name: cobalt-precorrin-2 +is_a: CHEBI:25216 ! metalloporphyrin + +[Term] +id: CHEBI:37902 +name: methionyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group + +[Term] +id: CHEBI:37903 +name: lysyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group + +[Term] +id: CHEBI:37909 +name: oligosaccharide sulfate +is_a: CHEBI:35724 ! carbohydrate sulfate +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:3791 +name: cobalt-precorrin-3 +is_a: CHEBI:25216 ! metalloporphyrin + +[Term] +id: CHEBI:37911 +name: indane +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon +is_a: CHEBI:46940 ! indanes + +[Term] +id: CHEBI:37912 +name: hydroxycoumarin +is_a: CHEBI:23403 ! coumarins + +[Term] +id: CHEBI:37914 +name: 27-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:37919 +name: aryl sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:26819 ! sulfuric ester + +[Term] +id: CHEBI:3792 +name: cobalt-precorrin-4 +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:37921 +name: pyridazines +is_a: CHEBI:38313 ! diazines + +[Term] +id: CHEBI:37930 +name: phenothiazine antipsychotic drug +is_a: CHEBI:65190 ! first generation antipsychotic + +[Term] +id: CHEBI:37931 +name: 10H-phenothiazine +is_a: CHEBI:37932 ! phenothiazine +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:37932 +name: phenothiazine +is_a: CHEBI:36416 ! mancude organic heterotricyclic parent +is_a: CHEBI:38093 ! phenothiazines + +[Term] +id: CHEBI:37933 +name: 4aH-phenothiazine +is_a: CHEBI:37932 ! phenothiazine + +[Term] +id: CHEBI:37934 +name: 1H-phenothiazine +is_a: CHEBI:37932 ! phenothiazine + +[Term] +id: CHEBI:37935 +name: 3H-phenothiazine +is_a: CHEBI:37932 ! phenothiazine + +[Term] +id: CHEBI:3794 +name: cobalt-precorrin-6A +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:37941 +name: clopidogrel +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:37942 ! thienopyridine +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:68563 ! P2Y12 receptor antagonist + +[Term] +id: CHEBI:37942 +name: thienopyridine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:37944 +name: polysaccharide sulfate +is_a: CHEBI:35724 ! carbohydrate sulfate +is_a: CHEBI:65212 ! polysaccharide derivative + +[Term] +id: CHEBI:37947 +name: benzothiazoles +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:37948 +name: oxaspiro compound +is_a: CHEBI:33599 ! spiro compound + +[Term] +id: CHEBI:37949 +name: azacycloalkane +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:3795 +name: cobalt-precorrin-8 +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:37955 +name: H1-receptor antagonist +is_a: CHEBI:37956 ! histamine antagonist + +[Term] +id: CHEBI:37956 +name: histamine antagonist +is_a: CHEBI:37957 ! histaminergic drug +is_a: CHEBI:48706 ! antagonist + +[Term] +id: CHEBI:37957 +name: histaminergic drug +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:37958 +name: dye +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:37962 +name: adrenergic agent +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:37963 +name: pyranone +is_a: CHEBI:26407 ! pyrans + +[Term] +id: CHEBI:37965 +name: 2H-pyran-2-one +is_a: CHEBI:75885 ! 2-pyranones + +[Term] +id: CHEBI:37986 +name: 1-(3-O-sulfo-beta-D-galactosyl-(1->4)-beta-D-glucosyl)-N-acylsphingosine +is_a: CHEBI:36477 ! sulfoglycosphingolipid +is_a: CHEBI:63415 ! glycodiaosylceramide + +[Term] +id: CHEBI:37996 +name: organic thiosulfate +is_a: CHEBI:26977 ! thiosulfate + +[Term] +id: CHEBI:37997 +name: homopolymer macromolecule +is_a: CHEBI:33839 ! macromolecule + +[Term] +id: CHEBI:37998 +name: glycolithocholic acid +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:36255 ! bile acid glycine conjugate + +[Term] +id: CHEBI:38001 +name: 2,6-diaminopurines +is_a: CHEBI:22527 ! aminopurine + +[Term] +id: CHEBI:38012 +name: aminoglycoside sulfate salt +is_a: CHEBI:37852 ! organoammonium sulfate salt + +[Term] +id: CHEBI:38023 +name: 3-sulfolactic acid +is_a: CHEBI:38031 ! carboxyalkanesulfonic acid + +[Term] +id: CHEBI:38024 +name: carboxyalkyl sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid + +[Term] +id: CHEBI:38028 +name: cyanuric acid +is_a: CHEBI:26588 ! 1,3,5-triazines +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:38029 +name: carbohydrate sulfonate +is_a: CHEBI:33551 ! organosulfonic acid +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:38031 +name: carboxyalkanesulfonic acid +is_a: CHEBI:33551 ! organosulfonic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid + +[Term] +id: CHEBI:38032 +name: carbotricyclic compound +is_a: CHEBI:35294 ! carbopolycyclic compound +is_a: CHEBI:51959 ! organic tricyclic compound + +[Term] +id: CHEBI:38033 +name: acenaphthylenes +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:38034 +name: aminonaphthalene +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:33860 ! aromatic amine + +[Term] +id: CHEBI:38036 +name: sulfobenzoate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:38038 +name: sulfuric amide +is_a: CHEBI:37826 ! sulfuric acid derivative + +[Term] +id: CHEBI:38060 +name: triazine insecticide +is_a: CHEBI:24852 ! insecticide + +[Term] +id: CHEBI:38063 +name: quinolizines +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38068 +name: antimalarial +is_a: CHEBI:64915 ! antiplasmodial drug + +[Term] +id: CHEBI:38070 +name: anti-arrhythmia drug +is_a: CHEBI:35554 ! cardiovascular drug + +[Term] +id: CHEBI:38071 +name: 1,3,5-triazine-2,4-diamine +is_a: CHEBI:38170 ! diamino-1,3,5-triazine + +[Term] +id: CHEBI:38074 +name: 2-chloro-1,3,5-triazine +is_a: CHEBI:38168 ! chloro-1,3,5-triazine + +[Term] +id: CHEBI:38077 +name: polypyrrole +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38084 +name: sulfoximide +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:38089 +name: 15-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:38090 +name: 15beta-hydroxy steroid +is_a: CHEBI:38089 ! 15-hydroxy steroid + +[Term] +id: CHEBI:38091 +name: spirostanyl glycoside +is_a: CHEBI:61655 ! steroid saponin + +[Term] +id: CHEBI:38093 +name: phenothiazines +is_a: CHEBI:26979 ! organic heterotricyclic compound + +[Term] +id: CHEBI:38101 +name: organonitrogen heterocyclic compound +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:38102 +name: triazines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:50893 ! azaarene + +[Term] +id: CHEBI:38104 +name: oxacycle +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:38106 +name: organosulfur heterocyclic compound +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:38107 +name: trans-4-carboxymethylenebut-2-en-4-olide +is_a: CHEBI:11972 ! 4-carboxymethylenebut-2-en-4-olide + +[Term] +id: CHEBI:38108 +name: azetidine-2-carboxylic acid +is_a: CHEBI:33709 ! amino acid +is_a: CHEBI:46891 ! azetidinecarboxylic acid +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:38109 +name: (R)-azetidine-2-carboxylic acid +is_a: CHEBI:38108 ! azetidine-2-carboxylic acid + +[Term] +id: CHEBI:38111 +name: benzoindole +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38113 +name: (R,R,R)-nicotianamine +is_a: CHEBI:25520 ! nicotianamine + +[Term] +id: CHEBI:38118 +name: but-2-en-4-olide +is_a: CHEBI:50523 ! butenolide + +[Term] +id: CHEBI:38120 +name: but-3-en-4-olide +is_a: CHEBI:50523 ! butenolide + +[Term] +id: CHEBI:38122 +name: 2-chloro-4-carboxymethylenebut-2-en-1,4-olide +is_a: CHEBI:50523 ! butenolide + +[Term] +id: CHEBI:38124 +name: dialdehyde +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:38131 +name: lactol +is_a: CHEBI:5653 ! hemiacetal + +[Term] +id: CHEBI:38132 +name: indanone +is_a: CHEBI:24789 ! indanones + +[Term] +id: CHEBI:38133 +name: naphthalenediol +is_a: CHEBI:23783 ! naphthalenediols + +[Term] +id: CHEBI:38139 +name: (1S,2R)-1,2-dihydronaphthalene-1,2-diol +is_a: CHEBI:15561 ! cis-1,2-dihydronaphthalene-1,2-diol + +[Term] +id: CHEBI:38141 +name: dihydronaphthalene +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon +is_a: CHEBI:90740 ! dihydronaphthalenes + +[Term] +id: CHEBI:38142 +name: 1,2-dihydronaphthalene +is_a: CHEBI:38141 ! dihydronaphthalene + +[Term] +id: CHEBI:38147 +name: cardiotonic drug +is_a: CHEBI:35554 ! cardiovascular drug + +[Term] +id: CHEBI:38149 +name: 19-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:38150 +name: enterobactin(6-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:26672 ! siderophore + +[Term] +id: CHEBI:38151 +name: ferrienterobactin +is_a: CHEBI:84734 ! Fe(III)-complexed siderophore + +[Term] +id: CHEBI:38155 +name: phytosiderophore +is_a: CHEBI:24028 ! iron(3+) chelator +is_a: CHEBI:24874 ! iron ionophore + +[Term] +id: CHEBI:38157 +name: iron chelator +is_a: CHEBI:38161 ! chelator + +[Term] +id: CHEBI:38159 +name: 3-epi-3-hydroxy-2'-deoxymugineic acid +is_a: CHEBI:25427 ! mugineic acids + +[Term] +id: CHEBI:38160 +name: 3''-deamino-3''-oxonicotianamine +is_a: CHEBI:25427 ! mugineic acids + +[Term] +id: CHEBI:38161 +name: chelator +is_a: CHEBI:52214 ! ligand + +[Term] +id: CHEBI:38163 +name: organic heterotetracyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:38164 +name: organic heteropentacyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:38165 +name: organic heterooctacyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:38166 +name: organic heteropolycyclic compound +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:33671 ! heteropolycyclic compound + +[Term] +id: CHEBI:38168 +name: chloro-1,3,5-triazine +is_a: CHEBI:26588 ! 1,3,5-triazines +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:38169 +name: monoamino-1,3,5-triazine +is_a: CHEBI:26588 ! 1,3,5-triazines + +[Term] +id: CHEBI:38170 +name: diamino-1,3,5-triazine +is_a: CHEBI:23666 ! diamine +is_a: CHEBI:26588 ! 1,3,5-triazines + +[Term] +id: CHEBI:38172 +name: monohydroxy-1,3,5-triazine +is_a: CHEBI:26588 ! 1,3,5-triazines + +[Term] +id: CHEBI:38173 +name: dihydroxy-1,3,5-triazine +is_a: CHEBI:26588 ! 1,3,5-triazines + +[Term] +id: CHEBI:38175 +name: triamino-1,3,5-triazine +is_a: CHEBI:26588 ! 1,3,5-triazines + +[Term] +id: CHEBI:38179 +name: monocyclic heteroarene +is_a: CHEBI:33833 ! heteroarene + +[Term] +id: CHEBI:38180 +name: polycyclic heteroarene +is_a: CHEBI:33833 ! heteroarene + +[Term] +id: CHEBI:38181 +name: pyridinemonocarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38182 +name: monohydroxypyridine +is_a: CHEBI:24745 ! hydroxypyridine + +[Term] +id: CHEBI:38183 +name: pyridone +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:38184 +name: picolinate +is_a: CHEBI:38181 ! pyridinemonocarboxylate + +[Term] +id: CHEBI:38186 +name: isonicotinate +is_a: CHEBI:38181 ! pyridinemonocarboxylate + +[Term] +id: CHEBI:38187 +name: pyridinecarbaldehyde +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:49104 ! heteroarenecarbaldehyde + +[Term] +id: CHEBI:38188 +name: pyridinium salt +is_a: CHEBI:24868 ! organic salt +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:38189 +name: pyridine N-oxides +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:35580 ! N-oxide + +[Term] +id: CHEBI:38194 +name: 5alpha-hydroxy steroid +is_a: CHEBI:36848 ! 5-hydroxy steroid + +[Term] +id: CHEBI:38196 +name: hydroxymethylpyridine +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:38197 +name: furopyridine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:38198 +name: aminoalkylpyridine +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:38201 +name: bacteriochlorophyll +is_a: CHEBI:28966 ! chlorophyll + +[Term] +id: CHEBI:38206 +name: chlorophyllide +is_a: CHEBI:28966 ! chlorophyll + +[Term] +id: CHEBI:38208 +name: aminoacylpyridine +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:38209 +name: chlorophyllide b +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:38215 +name: calcium channel blocker +is_a: CHEBI:38808 ! calcium channel modulator + +[Term] +id: CHEBI:38221 +name: fumonisin B1 +is_a: CHEBI:27136 ! triol +is_a: CHEBI:38224 ! fumonisin +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:51307 ! diester +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50903 ! carcinogenic agent + +[Term] +id: CHEBI:38222 +name: hydrocarbyl anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:38224 +name: fumonisin +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35742 ! tetracarboxylic acid +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:38226 +name: 1,2-dithiolane +is_a: CHEBI:38335 ! dithiolane + +[Term] +id: CHEBI:38229 +name: solanapyrone A +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:38230 ! solanapyrone +is_a: CHEBI:38332 ! pyrancarbaldehyde +relationship: has_role CHEBI:131699 ! EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor + +[Term] +id: CHEBI:38230 +name: solanapyrone +is_a: CHEBI:75885 ! 2-pyranones +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:38231 +name: phytotoxin +is_a: CHEBI:27026 ! toxin +is_a: CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:38234 +name: DNA polymerase inhibitor +is_a: CHEBI:76815 ! EC 2.7.7.* (nucleotidyltransferase) inhibitor + +[Term] +id: CHEBI:38237 +name: prosolanapyrone +is_a: CHEBI:75885 ! 2-pyranones + +[Term] +id: CHEBI:38238 +name: prosolanapyrone II +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:38237 ! prosolanapyrone + +[Term] +id: CHEBI:38247 +name: (R)-3-hydroxypalmitic acid +is_a: CHEBI:37248 ! 3-hydroxypalmitic acid +is_a: CHEBI:85678 ! (3R)-3-hydroxy fatty acid + +[Term] +id: CHEBI:38249 +name: (1S,4R)-1-hydroxylimonen-2-one +is_a: CHEBI:50246 ! 1-hydroxylimonen-2-one + +[Term] +id: CHEBI:38251 +name: magnesium tetrapyrrole +is_a: CHEBI:33909 ! metallotetrapyrrole +is_a: CHEBI:33976 ! magnesium coordination entity + +[Term] +id: CHEBI:38252 +name: phorbines +is_a: CHEBI:36309 ! cyclic tetrapyrrole + +[Term] +id: CHEBI:38254 +name: pheophorbide +is_a: CHEBI:38252 ! phorbines + +[Term] +id: CHEBI:38257 +name: pheophorbide a +is_a: CHEBI:38254 ! pheophorbide + +[Term] +id: CHEBI:38259 +name: divinyl chlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:38260 +name: pyrrolidines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38261 +name: imidazolidines +is_a: CHEBI:38304 ! diazolidine + +[Term] +id: CHEBI:38262 +name: allothreonine +is_a: CHEBI:38263 ! 2-amino-3-hydroxybutanoic acid + +[Term] +id: CHEBI:38263 +name: 2-amino-3-hydroxybutanoic acid +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:38264 +name: 2-amino-3-methylpentanoic acid +is_a: CHEBI:22918 ! branched-chain amino acid +is_a: CHEBI:33704 ! alpha-amino acid + +[Term] +id: CHEBI:38265 +name: carvone +is_a: CHEBI:23048 ! carvones +is_a: CHEBI:86494 ! botanical anti-fungal agent + +[Term] +id: CHEBI:38266 +name: O-beta-D-glucosyl-trans-zeatin +is_a: CHEBI:38646 ! O-beta-D-glucosylzeatin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:38275 +name: pyrrolidinone +is_a: CHEBI:38260 ! pyrrolidines + +[Term] +id: CHEBI:3828 +name: (R)-columbianetin +is_a: CHEBI:59948 ! columbianetin + +[Term] +id: CHEBI:38290 +name: L-ascorbate +is_a: CHEBI:22651 ! ascorbate +relationship: has_role CHEBI:27314 ! water-soluble vitamin +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:38291 +name: dihydrostreptomycin +is_a: CHEBI:26788 ! streptomycins + +[Term] +id: CHEBI:38295 +name: azabicycloalkane +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38297 +name: thiabicycloalkane +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:38298 +name: benzodioxoles +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:38299 +name: vernolic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:72659 ! epoxyoctadecenoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:3830 +name: camphene +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:38303 +name: azirinopyrroloindole +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:38304 +name: diazolidine +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38305 +name: gibberellin monocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:38306 +name: imidazole-4-carboxylic acid +is_a: CHEBI:38307 ! imidazolyl carboxylic acid + +[Term] +id: CHEBI:38307 +name: imidazolyl carboxylic acid +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:33859 ! aromatic carboxylic acid + +[Term] +id: CHEBI:38308 +name: N-acylimidazole +is_a: CHEBI:24780 ! imidazoles + +[Term] +id: CHEBI:38311 +name: cephem +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:27933 ! beta-lactam antibiotic +is_a: CHEBI:35627 ! beta-lactam +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:38313 +name: diazines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38314 +name: pyrazines +is_a: CHEBI:38313 ! diazines + +[Term] +id: CHEBI:38315 +name: beta-D-arabinoside +is_a: CHEBI:22601 ! arabinoside + +[Term] +id: CHEBI:38316 +name: pyrimidinecarboxylate anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38317 +name: EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor +is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor + +[Term] +id: CHEBI:38319 +name: usnic acid +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38922 ! dibenzofurans +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:22153 ! acaricide +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:78361 ! lichen metabolite + +[Term] +id: CHEBI:38320 +name: (+)-usnic acid +is_a: CHEBI:38319 ! usnic acid + +[Term] +id: CHEBI:38323 +name: cholinergic drug +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:38324 +name: cholinergic agonist +is_a: CHEBI:38323 ! cholinergic drug + +[Term] +id: CHEBI:38325 +name: muscarinic agonist +is_a: CHEBI:38324 ! cholinergic agonist + +[Term] +id: CHEBI:38326 +name: thiazine +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:38329 +name: oxazolidines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:38331 +name: 11-tetradecenoic acid +is_a: CHEBI:36004 ! tetradecenoic acid + +[Term] +id: CHEBI:38332 +name: pyrancarbaldehyde +is_a: CHEBI:26407 ! pyrans + +[Term] +id: CHEBI:38333 +name: thiazolidine +is_a: CHEBI:35622 ! thiazolidines +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent + +[Term] +id: CHEBI:38335 +name: dithiolane +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:38106 ! organosulfur heterocyclic compound +is_a: CHEBI:39192 ! dithiolanes + +[Term] +id: CHEBI:38336 +name: dithiolanecarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:39192 ! dithiolanes + +[Term] +id: CHEBI:38337 +name: pyrimidone +is_a: CHEBI:39447 ! pyrimidines + +[Term] +id: CHEBI:38338 +name: aminopyrimidine +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:39447 ! pyrimidines + +[Term] +id: CHEBI:38339 +name: formamidopyrimidine +is_a: CHEBI:24079 ! formamides +is_a: CHEBI:48536 ! amidopyrimidine + +[Term] +id: CHEBI:38340 +name: hydroxypyrimidine +is_a: CHEBI:39447 ! pyrimidines +is_a: CHEBI:74818 ! heteroaryl hydroxy compound + +[Term] +id: CHEBI:38342 +name: L-sorbose 1-phosphate +is_a: CHEBI:28173 ! sorbose 1-phosphate +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:38355 +name: hex-4-enoic acid +is_a: CHEBI:24580 ! hexenoic acid + +[Term] +id: CHEBI:38356 +name: trans-hex-4-enoic acid +is_a: CHEBI:38355 ! hex-4-enoic acid + +[Term] +id: CHEBI:38358 +name: (2E,4E)-hexa-2,4-dienoic acid +is_a: CHEBI:35962 ! sorbic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:383703 +name: 3,6-diamino-10-methylacridinium chloride +is_a: CHEBI:36094 ! organic chloride salt +relationship: has_part CHEBI:60585 ! 3,6-diamino-10-methylacridinium +relationship: has_role CHEBI:24853 ! intercalator +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:48218 ! antiseptic drug +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:77178 ! histological dye + +[Term] +id: CHEBI:38371 +name: 2-dodecenoic acid +is_a: CHEBI:23867 ! dodecenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:38373 +name: 3-dodecenoic acid +is_a: CHEBI:23867 ! dodecenoic acid + +[Term] +id: CHEBI:38382 +name: 9,11,13-octadecatrienoic acid +is_a: CHEBI:61160 ! conjugated linolenic acid + +[Term] +id: CHEBI:38387 +name: 9,11,15-octadecatrienoic acid +is_a: CHEBI:25633 ! octadecatrienoic acid + +[Term] +id: CHEBI:38390 +name: 9,11,15-octadecatrienoate +is_a: CHEBI:36434 ! octadecatrienoate + +[Term] +id: CHEBI:38393 +name: octadeca-9,11-dienoate +is_a: CHEBI:25626 ! octadecadienoate + +[Term] +id: CHEBI:38407 +name: muconic acid +is_a: CHEBI:24553 ! hexadienedioic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:38408 +name: chloromuconic acid +is_a: CHEBI:36685 ! chlorocarboxylic acid + +[Term] +id: CHEBI:38409 +name: 2,4-dichloromuconic acid +is_a: CHEBI:38422 ! dichloromuconic acid + +[Term] +id: CHEBI:38411 +name: chlorocarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:38412 +name: 2,4-dichloromuconate(2-) +is_a: CHEBI:38424 ! dichloromuconate(2-) + +[Term] +id: CHEBI:38418 +name: 1,3-thiazoles +is_a: CHEBI:48901 ! thiazoles + +[Term] +id: CHEBI:38419 +name: saturated organic heterobicyclic parent +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:36388 ! saturated organic heterocyclic parent + +[Term] +id: CHEBI:38422 +name: dichloromuconic acid +is_a: CHEBI:38408 ! chloromuconic acid + +[Term] +id: CHEBI:38424 +name: dichloromuconate(2-) +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion +is_a: CHEBI:38411 ! chlorocarboxylic acid anion + +[Term] +id: CHEBI:38425 +name: 2,5-dichloromuconate(2-) +is_a: CHEBI:38424 ! dichloromuconate(2-) + +[Term] +id: CHEBI:38427 +name: 2,3,5-trichloro-cis,cis-muconate(1-) +is_a: CHEBI:38411 ! chlorocarboxylic acid anion + +[Term] +id: CHEBI:38428 +name: 3-chloromuconic acid +is_a: CHEBI:38429 ! monochloromuconic acid + +[Term] +id: CHEBI:38429 +name: monochloromuconic acid +is_a: CHEBI:38408 ! chloromuconic acid + +[Term] +id: CHEBI:38434 +name: 2-chloromuconic acid +is_a: CHEBI:38429 ! monochloromuconic acid + +[Term] +id: CHEBI:38436 +name: muconic semialdehyde +is_a: CHEBI:26643 ! aldehydic acid + +[Term] +id: CHEBI:38443 +name: 1-benzopyran +is_a: CHEBI:22727 ! benzopyran + +[Term] +id: CHEBI:38444 +name: 2-benzopyran +is_a: CHEBI:22727 ! benzopyran + +[Term] +id: CHEBI:38445 +name: chromenone +is_a: CHEBI:23232 ! chromenes + +[Term] +id: CHEBI:38448 +name: trichloromuconic acid +is_a: CHEBI:38408 ! chloromuconic acid + +[Term] +id: CHEBI:38459 +name: oxindoles +is_a: CHEBI:24829 ! indolones +is_a: CHEBI:74222 ! gamma-lactam + +[Term] +id: CHEBI:38460 +name: methylindole +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:38462 +name: EC 3.1.1.7 (acetylcholinesterase) inhibitor +is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor + +[Term] +id: CHEBI:38466 +name: imidazolyl carboxylic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38467 +name: indolyl alcohol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:38468 +name: indol-3-yl carboxylic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38472 +name: acetonitrile +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:80291 ! aliphatic nitrile +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor + +[Term] +id: CHEBI:38481 +name: alkaloid ester +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:38482 +name: indole alkaloid fundamental parent +is_a: CHEBI:35506 ! alkaloid fundamental parent + +[Term] +id: CHEBI:38484 +name: ergoline +is_a: CHEBI:23666 ! diamine +is_a: CHEBI:38482 ! indole alkaloid fundamental parent +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:60529 ! ergoline alkaloid + +[Term] +id: CHEBI:38496 +name: electron-transport chain inhibitor +is_a: CHEBI:76932 ! pathway inhibitor + +[Term] +id: CHEBI:38497 +name: respiratory-chain inhibitor +is_a: CHEBI:38496 ! electron-transport chain inhibitor + +[Term] +id: CHEBI:38498 +name: mitochondrial NADH:ubiquinone reductase inhibitor +is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor +is_a: CHEBI:38503 ! EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor + +[Term] +id: CHEBI:38500 +name: EC 1.9.3.1 (cytochrome c oxidase) inhibitor +is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor +is_a: CHEBI:76870 ! EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor + +[Term] +id: CHEBI:38503 +name: EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor +is_a: CHEBI:38497 ! respiratory-chain inhibitor +is_a: CHEBI:76866 ! EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor + +[Term] +id: CHEBI:38512 +name: dibenzoquinolizine +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38515 +name: isoquinoline alkaloid fundamental parent +is_a: CHEBI:35506 ! alkaloid fundamental parent + +[Term] +id: CHEBI:38517 +name: benzophenanthridine alkaloid +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:38518 ! benzophenanthridine + +[Term] +id: CHEBI:38518 +name: benzophenanthridine +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:38521 +name: pyrrolizine alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:38522 ! pyrrolizines + +[Term] +id: CHEBI:38522 +name: pyrrolizines +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38526 +name: quinolizidine alkaloid fundamental parent +is_a: CHEBI:35506 ! alkaloid fundamental parent + +[Term] +id: CHEBI:38530 +name: quinazolines +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38532 +name: hydrazone +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:38560 +name: simple protein +is_a: CHEBI:36080 ! protein + +[Term] +id: CHEBI:38573 +name: ferroheme +is_a: CHEBI:30413 ! heme + +[Term] +id: CHEBI:38574 +name: ferriheme +is_a: CHEBI:30413 ! heme + +[Term] +id: CHEBI:38579 +name: peptide pheromone +is_a: CHEBI:16670 ! peptide +relationship: has_role CHEBI:26013 ! pheromone + +[Term] +id: CHEBI:38582 +name: difluorobenzene +is_a: CHEBI:35496 ! fluorobenzenes + +[Term] +id: CHEBI:38584 +name: 1,3-difluorobenzene +is_a: CHEBI:38582 ! difluorobenzene + +[Term] +id: CHEBI:38595 +name: 3H-pyrazole +is_a: CHEBI:14973 ! pyrazole + +[Term] +id: CHEBI:38596 +name: pyrazolide +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:38597 +name: triazole +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:35727 ! triazoles +is_a: CHEBI:38179 ! monocyclic heteroarene + +[Term] +id: CHEBI:38599 +name: 4H-pyrazole +is_a: CHEBI:14973 ! pyrazole + +[Term] +id: CHEBI:38600 +name: 4H-pyrazol-4-ide +is_a: CHEBI:38596 ! pyrazolide + +[Term] +id: CHEBI:38605 +name: phenethylamine alkaloid +is_a: CHEBI:22315 ! alkaloid + +[Term] +id: CHEBI:38606 +name: cyclopentapyran +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:38607 +name: dibenzazecine +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38608 +name: dibenzazecine alkaloid +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:38607 ! dibenzazecine + +[Term] +id: CHEBI:38609 +name: indolecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38615 +name: cyclopiazonic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:38275 ! pyrrolidinone +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:38623 +name: EC 1.4.3.4 (monoamine oxidase) inhibitor +is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor + +[Term] +id: CHEBI:38631 +name: aminoalkylindole +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:38632 +name: membrane transport modulator +is_a: CHEBI:52208 ! biophysical role + +[Term] +id: CHEBI:38633 +name: sodium channel blocker +is_a: CHEBI:39000 ! sodium channel modulator + +[Term] +id: CHEBI:38637 +name: tyrosine kinase inhibitor +is_a: CHEBI:37699 ! protein kinase inhibitor + +[Term] +id: CHEBI:38643 +name: 6-isopentenylaminopurine +is_a: CHEBI:22527 ! aminopurine + +[Term] +id: CHEBI:38644 +name: O-beta-D-glucosylzeatins +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:38645 +name: N-glycosylzeatin +is_a: CHEBI:21731 ! N-glycosyl compound + +[Term] +id: CHEBI:38646 +name: O-beta-D-glucosylzeatin +is_a: CHEBI:24289 ! glucosyl-N(6)-isopentenyladenine +is_a: CHEBI:38644 ! O-beta-D-glucosylzeatins + +[Term] +id: CHEBI:38653 +name: methylbutyric acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid + +[Term] +id: CHEBI:38655 +name: (S)-2-methylbutyric acid +is_a: CHEBI:37070 ! 2-methylbutyric acid + +[Term] +id: CHEBI:38656 +name: organochlorine pesticide +is_a: CHEBI:36683 ! organochlorine compound +relationship: has_role CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:38667 +name: purinemonocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:38668 +name: purinecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38670 +name: pyrrolopyrimidine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38672 +name: flavans +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:38443 ! 1-benzopyran +is_a: CHEBI:47916 ! flavonoid + +[Term] +id: CHEBI:38674 +name: chromenemonocarboxylate +is_a: CHEBI:23232 ! chromenes +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38679 +name: fluorobiphenyl +is_a: CHEBI:22888 ! biphenyls +is_a: CHEBI:37143 ! organofluorine compound + +[Term] +id: CHEBI:38684 +name: tetrahydroxyflavone +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:38685 +name: 1,2-epoxypropane +is_a: CHEBI:32955 ! epoxide + +[Term] +id: CHEBI:38686 +name: dihydroxyflavone +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:38687 +name: monohydroxyflavone +is_a: CHEBI:24698 ! hydroxyflavone + +[Term] +id: CHEBI:38691 +name: flavan +is_a: CHEBI:38672 ! flavans + +[Term] +id: CHEBI:38695 +name: anthocyanidin +is_a: CHEBI:47916 ! flavonoid +relationship: has_part CHEBI:16366 ! anthocyanidin cation + +[Term] +id: CHEBI:38697 +name: anthocyanin +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:47916 ! flavonoid +relationship: has_part CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:38700 +name: organic sodium salt +is_a: CHEBI:24868 ! organic salt +is_a: CHEBI:26714 ! sodium salt + +[Term] +id: CHEBI:38702 +name: inorganic sodium salt +is_a: CHEBI:24839 ! inorganic salt +is_a: CHEBI:26714 ! sodium salt + +[Term] +id: CHEBI:38706 +name: pediculicide +is_a: CHEBI:24852 ! insecticide + +[Term] +id: CHEBI:38716 +name: carboxylic acid dianion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:38717 +name: carboxylic acid trianion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:38738 +name: monomethoxyflavanone +is_a: CHEBI:25240 ! methoxyflavanone + +[Term] +id: CHEBI:38739 +name: trihydroxyflavanone +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:38740 +name: isoflavan +is_a: CHEBI:72572 ! isoflavans + +[Term] +id: CHEBI:38741 +name: isoflavanones +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:72572 ! isoflavans + +[Term] +id: CHEBI:38742 +name: tetrahydroxyflavanone +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:38744 +name: hexahydroxyflavanone +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:38745 +name: pentahydroxyflavanone +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:38747 +name: taxifolin +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:38745 ! pentahydroxyflavanone +is_a: CHEBI:48024 ! 3'-hydroxyflavanones +is_a: CHEBI:48039 ! dihydroflavonols + +[Term] +id: CHEBI:38748 +name: monohydroxyflavanone +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:38749 +name: dihydroxyflavanone +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:38751 +name: triamine +is_a: CHEBI:88061 ! polyamine + +[Term] +id: CHEBI:38755 +name: hydroxyisoflavone +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:38757 ! isoflavones + +[Term] +id: CHEBI:38756 +name: methoxyisoflavone +is_a: CHEBI:25698 ! ether +is_a: CHEBI:38757 ! isoflavones + +[Term] +id: CHEBI:38757 +name: isoflavones +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:50753 ! isoflavonoid + +[Term] +id: CHEBI:38758 +name: isocoumarins +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:38761 ! isochromenes + +[Term] +id: CHEBI:38759 +name: isocoumarin +is_a: CHEBI:38758 ! isocoumarins + +[Term] +id: CHEBI:38760 +name: mellein +is_a: CHEBI:38762 ! isochromanes + +[Term] +id: CHEBI:38761 +name: isochromenes +is_a: CHEBI:38444 ! 2-benzopyran + +[Term] +id: CHEBI:38762 +name: isochromanes +is_a: CHEBI:38444 ! 2-benzopyran + +[Term] +id: CHEBI:38763 +name: chromanone +is_a: CHEBI:23230 ! chromanes +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:38767 +name: benzothiophenes +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:38773 +name: quinolinemonocarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38774 +name: hydroxyquinoline +is_a: CHEBI:26513 ! quinolines + +[Term] +id: CHEBI:38775 +name: monohydroxyquinoline +is_a: CHEBI:38774 ! hydroxyquinoline + +[Term] +id: CHEBI:38777 +name: azetidines +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38778 +name: triazinanes +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38779 +name: 1,3,5-triazinanes +is_a: CHEBI:38778 ! triazinanes + +[Term] +id: CHEBI:38784 +name: oxetanes +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:38785 +name: morpholines +is_a: CHEBI:46952 ! oxazinane + +[Term] +id: CHEBI:38793 +name: pteroate +is_a: CHEBI:38796 ! pteroates + +[Term] +id: CHEBI:38794 +name: pteroic acid +is_a: CHEBI:38795 ! pteroic acids + +[Term] +id: CHEBI:38795 +name: pteroic acids +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:38796 +name: pteroates +is_a: CHEBI:22494 ! aminobenzoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:38797 +name: dihydropterin +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:38807 +name: calcium channel agonist +is_a: CHEBI:38808 ! calcium channel modulator + +[Term] +id: CHEBI:38808 +name: calcium channel modulator +is_a: CHEBI:38632 ! membrane transport modulator + +[Term] +id: CHEBI:38809 +name: ryanodine receptor modulator +is_a: CHEBI:38808 ! calcium channel modulator + +[Term] +id: CHEBI:38818 +name: N-methylcoclaurine +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline + +[Term] +id: CHEBI:38824 +name: fluorocarbon +is_a: CHEBI:37143 ! organofluorine compound + +[Term] +id: CHEBI:38825 +name: tetrafluoromethane +is_a: CHEBI:38824 ! fluorocarbon +is_a: CHEBI:39281 ! fluoromethanes +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:38828 +name: nonionic surfactant +is_a: CHEBI:35195 ! surfactant + +[Term] +id: CHEBI:38830 +name: 1-benzofurans +is_a: CHEBI:35259 ! benzofurans + +[Term] +id: CHEBI:38831 +name: 2-benzofurans +is_a: CHEBI:35259 ! benzofurans + +[Term] +id: CHEBI:38834 +name: benzofurochromene +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:38835 +name: xanthenes +is_a: CHEBI:39203 ! dibenzopyran + +[Term] +id: CHEBI:38836 +name: 1-benzothiophenes +is_a: CHEBI:38767 ! benzothiophenes + +[Term] +id: CHEBI:38846 +name: phenoxyacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:38853 +name: decalin +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon +relationship: has_role CHEBI:46787 ! solvent + +[Term] +id: CHEBI:38856 +name: halophenol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36684 ! organohalogen compound + +[Term] +id: CHEBI:38863 +name: trans-decalin +is_a: CHEBI:38853 ! decalin + +[Term] +id: CHEBI:38867 +name: anaesthetic +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:38869 +name: general anaesthetic +is_a: CHEBI:38867 ! anaesthetic + +[Term] +id: CHEBI:38870 +name: inhalation anaesthetic +is_a: CHEBI:38869 ! general anaesthetic + +[Term] +id: CHEBI:38877 +name: intravenous anaesthetic +is_a: CHEBI:38869 ! general anaesthetic + +[Term] +id: CHEBI:38884 +name: diphenylmethane +is_a: CHEBI:51614 ! diarylmethane + +[Term] +id: CHEBI:3892 +name: corticotropin +is_a: CHEBI:15841 ! polypeptide +is_a: CHEBI:25905 ! peptide hormone +is_a: CHEBI:33694 ! biomacromolecule +relationship: has_role CHEBI:33295 ! diagnostic agent + +[Term] +id: CHEBI:38920 +name: benzochromene +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:38922 +name: dibenzofurans +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:38925 +name: benzopteridine +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:38932 +name: pyridopyrimidine +is_a: CHEBI:27171 ! organic heterobicyclic compound + +[Term] +id: CHEBI:38933 +name: 3-aminopropane-1-thiol +is_a: CHEBI:29256 ! thiol + +[Term] +id: CHEBI:38934 +name: purvalanol +is_a: CHEBI:38001 ! 2,6-diaminopurines + +[Term] +id: CHEBI:38941 +name: schistosomicide drug +is_a: CHEBI:35684 ! antiplatyhelmintic drug + +[Term] +id: CHEBI:38956 +name: ectoparasiticide +is_a: CHEBI:35442 ! antiparasitic agent + +[Term] +id: CHEBI:38958 +name: indole alkaloid +is_a: CHEBI:22315 ! alkaloid +relationship: has_part CHEBI:73398 ! indole skeleton + +[Term] +id: CHEBI:38975 +name: methylbenzene +is_a: CHEBI:38976 ! alkylbenzene + +[Term] +id: CHEBI:38976 +name: alkylbenzene +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:33847 ! monocyclic arene + +[Term] +id: CHEBI:38999 +name: GABA-gated chloride channel antagonist +is_a: CHEBI:38632 ! membrane transport modulator + +[Term] +id: CHEBI:3900 +name: costunolide +is_a: CHEBI:73011 ! germacranolide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:35442 ! antiparasitic agent +relationship: has_role CHEBI:35443 ! anthelminthic drug +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:36044 ! antiviral drug + +[Term] +id: CHEBI:39000 +name: sodium channel modulator +is_a: CHEBI:38632 ! membrane transport modulator + +[Term] +id: CHEBI:39015 +name: apolipoprotein +is_a: CHEBI:13850 ! apoprotein + +[Term] +id: CHEBI:39022 +name: inclusion compound +is_a: CHEBI:50967 ! non-covalently-bound molecular entity + +[Term] +id: CHEBI:39024 +name: clathrate compound +is_a: CHEBI:39022 ! inclusion compound + +[Term] +id: CHEBI:39025 +name: high-density lipoprotein +is_a: CHEBI:6495 ! lipoprotein +relationship: has_part CHEBI:47775 ! high-density lipoprotein cholesterol + +[Term] +id: CHEBI:39026 +name: low-density lipoprotein +is_a: CHEBI:6495 ! lipoprotein +relationship: has_part CHEBI:47774 ! low-density lipoprotein cholesterol + +[Term] +id: CHEBI:39027 +name: very-low-density lipoprotein +is_a: CHEBI:6495 ! lipoprotein +relationship: has_part CHEBI:47773 ! very-low-density lipoprotein cholesterol +relationship: has_part CHEBI:47776 ! very-low-density lipoprotein triglyceride + +[Term] +id: CHEBI:39053 +name: nitrilotriacetate(1-) +is_a: CHEBI:36299 ! tricarboxylic acid monoanion +is_a: CHEBI:39054 ! NTA + +[Term] +id: CHEBI:39054 +name: NTA +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:38161 ! chelator + +[Term] +id: CHEBI:39056 +name: nitrilotriacetate(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion +is_a: CHEBI:39054 ! NTA + +[Term] +id: CHEBI:39093 +name: organophosphorus pesticide +is_a: CHEBI:25710 ! organophosphorus compound +relationship: has_role CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:39116 +name: pyrethroid ester insecticide +is_a: CHEBI:26413 ! pyrethroid insecticide + +[Term] +id: CHEBI:39123 +name: calcium cation +is_a: CHEBI:33513 ! alkaline earth cation +is_a: CHEBI:39124 ! calcium ion + +[Term] +id: CHEBI:39124 +name: calcium ion +is_a: CHEBI:25213 ! metal cation +is_a: CHEBI:35155 ! elemental calcium + +[Term] +id: CHEBI:39127 +name: magnesium cation +is_a: CHEBI:33513 ! alkaline earth cation +is_a: CHEBI:39128 ! magnesium ion + +[Term] +id: CHEBI:39128 +name: magnesium ion +is_a: CHEBI:33973 ! elemental magnesium + +[Term] +id: CHEBI:39141 +name: Bronsted acid +is_a: CHEBI:17891 ! donor +is_a: CHEBI:37527 ! acid + +[Term] +id: CHEBI:39142 +name: Bronsted base +is_a: CHEBI:15339 ! acceptor +is_a: CHEBI:22695 ! base + +[Term] +id: CHEBI:39143 +name: Lewis acid +is_a: CHEBI:15339 ! acceptor +is_a: CHEBI:37527 ! acid + +[Term] +id: CHEBI:39144 +name: Lewis base +is_a: CHEBI:17891 ! donor +is_a: CHEBI:22695 ! base + +[Term] +id: CHEBI:39146 +name: trichostatin +is_a: CHEBI:49319 ! carbocyclic antibiotic + +[Term] +id: CHEBI:39150 +name: 4-oxopentanoate +is_a: CHEBI:25798 ! oxopentanoates +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:39153 +name: 5-oxopentanoic acid +is_a: CHEBI:25799 ! oxopentanoic acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:76328 ! omega-oxo fatty acid + +[Term] +id: CHEBI:39154 +name: chlorocyclohexane +is_a: CHEBI:39155 ! chlorocycloalkane + +[Term] +id: CHEBI:39155 +name: chlorocycloalkane +is_a: CHEBI:23115 ! chlorohydrocarbon + +[Term] +id: CHEBI:39157 +name: trichostatic acid +is_a: CHEBI:35983 ! 7-oxo monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:39158 +name: (R)-trichostatic acid +is_a: CHEBI:39157 ! trichostatic acid + +[Term] +id: CHEBI:39159 +name: (S)-trichostatic acid +is_a: CHEBI:39157 ! trichostatic acid + +[Term] +id: CHEBI:39161 +name: 1,1,1-trichloro-2,2-diphenylethane +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:39162 +name: (R)-nicotine +is_a: CHEBI:138000 ! 3-(1-methylpyrrolidin-2-yl)pyridine + +[Term] +id: CHEBI:39166 +name: tetramine +is_a: CHEBI:88061 ! polyamine + +[Term] +id: CHEBI:39172 +name: monochloropyridine +is_a: CHEBI:39173 ! chloropyridine + +[Term] +id: CHEBI:39173 +name: chloropyridine +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:39174 +name: 2-chloropyridine +is_a: CHEBI:39172 ! monochloropyridine + +[Term] +id: CHEBI:3918 +name: crocetin +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:35311 ! carotenoic acid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50733 ! nutraceutical + +[Term] +id: CHEBI:39192 +name: dithiolanes +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:39201 +name: phenazines +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:39203 +name: dibenzopyran +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:39205 +name: dibenzopyrrole +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:39206 +name: dibenzopyridine +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:39208 +name: antibiotic insecticide +is_a: CHEBI:24852 ! insecticide +is_a: CHEBI:39215 ! antibiotic pesticide + +[Term] +id: CHEBI:39215 +name: antibiotic pesticide +is_a: CHEBI:25944 ! pesticide +is_a: CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:39226 +name: chlorocarbon +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:39236 +name: alpha-farnesene +is_a: CHEBI:39237 ! farnesene + +[Term] +id: CHEBI:39237 +name: farnesene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:39241 +name: beta-farnesene +is_a: CHEBI:39237 ! farnesene + +[Term] +id: CHEBI:39246 +name: nonadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:39250 +name: isopentadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid + +[Term] +id: CHEBI:39252 +name: pyridophenoxazine +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:38180 ! polycyclic heteroarene + +[Term] +id: CHEBI:39258 +name: diphenyl ether +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:39259 +name: pyrethroid ester acaricide +is_a: CHEBI:22153 ! acaricide + +[Term] +id: CHEBI:39268 +name: dibenzothiazepine +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:39270 +name: naphthofuran +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:39275 +name: bromomethane +is_a: CHEBI:22926 ! bromohydrocarbon +is_a: CHEBI:25253 ! methyl halides +is_a: CHEBI:39278 ! bromomethanes +relationship: has_role CHEBI:39277 ! fumigant insecticide +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:39276 +name: fumigant +is_a: CHEBI:25944 ! pesticide + +[Term] +id: CHEBI:39277 +name: fumigant insecticide +is_a: CHEBI:24852 ! insecticide +is_a: CHEBI:39276 ! fumigant + +[Term] +id: CHEBI:39278 +name: bromomethanes +is_a: CHEBI:22929 ! bromoalkane +is_a: CHEBI:39279 ! halomethane + +[Term] +id: CHEBI:39279 +name: halomethane +is_a: CHEBI:24469 ! haloalkane +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:39281 +name: fluoromethanes +is_a: CHEBI:24067 ! fluoroalkane +is_a: CHEBI:39279 ! halomethane + +[Term] +id: CHEBI:39282 +name: iodomethane +is_a: CHEBI:25253 ! methyl halides +is_a: CHEBI:39284 ! iodomethanes +relationship: has_role CHEBI:39277 ! fumigant insecticide + +[Term] +id: CHEBI:39284 +name: iodomethanes +is_a: CHEBI:37757 ! iodoalkane +is_a: CHEBI:39279 ! halomethane + +[Term] +id: CHEBI:39304 +name: coformycins +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:39305 ! imidazodiazepine +relationship: has_role CHEBI:25605 ! nucleoside antibiotic + +[Term] +id: CHEBI:39305 +name: imidazodiazepine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:39306 +name: pyrimidodiazepine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:39308 +name: 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:39317 +name: growth regulator +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:39352 +name: dinitrophenol +is_a: CHEBI:25562 ! nitrophenol + +[Term] +id: CHEBI:39362 +name: mononitrophenol +is_a: CHEBI:25562 ! nitrophenol + +[Term] +id: CHEBI:3941 +name: cucurbitacin B +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:16219 ! cucurbitacin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:39412 +name: bridged diphenyl acaricide +is_a: CHEBI:22153 ! acaricide + +[Term] +id: CHEBI:39417 +name: branched-chain saturated fatty acid +is_a: CHEBI:26607 ! saturated fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid + +[Term] +id: CHEBI:39418 +name: straight-chain saturated fatty acid +is_a: CHEBI:26607 ! saturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:39432 +name: furochromene +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:39434 +name: limonoid +is_a: CHEBI:36615 ! triterpenoid + +[Term] +id: CHEBI:39435 +name: cycloheptafuran +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:39436 +name: chromenol +is_a: CHEBI:23232 ! chromenes + +[Term] +id: CHEBI:39437 +name: tocol +is_a: CHEBI:23229 ! chromanol +relationship: has_role CHEBI:22586 ! antioxidant + +[Term] +id: CHEBI:39439 +name: benzoquinone +is_a: CHEBI:22729 ! benzoquinones + +[Term] +id: CHEBI:39442 +name: fluorescent probe +is_a: CHEBI:50406 ! probe + +[Term] +id: CHEBI:39446 +name: pyrimidine ribonucleosides +is_a: CHEBI:18254 ! ribonucleoside +is_a: CHEBI:26440 ! pyrimidine nucleoside + +[Term] +id: CHEBI:39447 +name: pyrimidines +is_a: CHEBI:38313 ! diazines + +[Term] +id: CHEBI:39448 +name: undecenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:39449 +name: 2-undecenoic acid +is_a: CHEBI:39448 ! undecenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:39450 +name: trans-undec-2-enoic acid +is_a: CHEBI:39449 ! 2-undecenoic acid + +[Term] +id: CHEBI:39456 +name: antiglaucoma drug +is_a: CHEBI:66981 ! ophthalmology drug + +[Term] +id: CHEBI:39457 +name: pyrimidine ribonucleoside 5'-monophosphate +is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate +is_a: CHEBI:26446 ! pyrimidine ribonucleotide +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:39474 +name: polyazaalkane +is_a: CHEBI:46686 ! azaalkane +is_a: CHEBI:88061 ! polyamine + +[Term] +id: CHEBI:39482 +name: chloroolefin +is_a: CHEBI:23115 ! chlorohydrocarbon + +[Term] +id: CHEBI:39547 +name: (R)-carnitinium +is_a: CHEBI:3424 ! carnitinium + +[Term] +id: CHEBI:39564 +name: (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid +is_a: CHEBI:11656 ! 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid + +[Term] +id: CHEBI:39567 +name: 12-hydroxylauric acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:39573 +name: (13R)-HPODE +is_a: CHEBI:91272 ! 13-HPODE + +[Term] +id: CHEBI:3962 +name: curcumin +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:51689 ! enone +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:78802 ! diarylheptanoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:35856 ! lipoxygenase inhibitor +relationship: has_role CHEBI:37958 ! dye +relationship: has_role CHEBI:38157 ! iron chelator +relationship: has_role CHEBI:48550 ! EC 1.1.1.21 (aldehyde reductase) inhibitor +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:49323 ! contraceptive drug +relationship: has_role CHEBI:50390 ! EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:52214 ! ligand +relationship: has_role CHEBI:53746 ! EC 1.1.1.205 (IMP dehydrogenase) inhibitor +relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:64670 ! EC 1.8.1.9 (thioredoxin reductase) inhibitor +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76617 ! EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor +relationship: has_role CHEBI:77182 ! food colouring +relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor + +[Term] +id: CHEBI:39737 +name: D-sorbose 1-phosphate +is_a: CHEBI:28173 ! sorbose 1-phosphate + +[Term] +id: CHEBI:39745 +name: dihydrogenphosphate +is_a: CHEBI:35780 ! phosphate ion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:3978 +name: cyanin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:39785 +name: 1-pyrroline-2-carboxylic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:39870 +name: propylamine +is_a: CHEBI:22331 ! alkylamines + +[Term] +id: CHEBI:3992 +name: cyclic ketone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:39949 +name: triphosphoric acid +is_a: CHEBI:33457 ! phosphorus oxoacid +is_a: CHEBI:37786 ! acyclic phosphorus acid anhydride + +[Term] +id: CHEBI:40 +name: (+)-pinoresinol +is_a: CHEBI:8225 ! pinoresinol +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:40009 +name: D-cycloserine +is_a: CHEBI:23503 ! 4-amino-1,2-oxazolidin-3-one +is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic +is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:64571 ! NMDA receptor agonist + +[Term] +id: CHEBI:40036 +name: amitrole +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:35727 ! triazoles +relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:75380 ! EC 1.11.1.6 (catalase) inhibitor + +[Term] +id: CHEBI:40070 +name: 4-hydroxycoumarin +is_a: CHEBI:37912 ! hydroxycoumarin + +[Term] +id: CHEBI:40096 +name: adenosine 5'-(hexahydrogen pentaphosphate) +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:37102 ! nucleoside pentaphosphate + +[Term] +id: CHEBI:40196 +name: N(6)-methyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:40235 +name: 9H-purine-2,6-diamine +is_a: CHEBI:38001 ! 2,6-diaminopurines +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:4027 +name: cyclophosphamide +is_a: CHEBI:35467 ! phosphorodiamide +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37598 ! nitrogen mustard +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:35842 ! antirheumatic drug +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:78298 ! environmental contaminant +relationship: has_role CHEBI:88188 ! drug allergen + +[Term] +id: CHEBI:40303 +name: lovastatin +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:87632 ! statin (naturally occurring) +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35821 ! anticholesteremic drug +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:4031 +name: cyclosporin A +is_a: CHEBI:24613 ! homodetic cyclic peptide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:35842 ! antirheumatic drug +relationship: has_role CHEBI:37153 ! EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor +relationship: has_role CHEBI:49167 ! anti-asthmatic drug +relationship: has_role CHEBI:50177 ! dermatologic drug +relationship: has_role CHEBI:50903 ! carcinogenic agent + +[Term] +id: CHEBI:40356 +name: N-acetyl-alpha-D-galactosamine +is_a: CHEBI:28037 ! N-acetyl-D-galactosamine +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:40407 +name: 2-octaprenylphenol +is_a: CHEBI:1269 ! 2-polyprenylphenol +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:40410 +name: N-acetylglycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:21575 ! N-acetyl-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:40460 +name: 2'-O-methyladenosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate + +[Term] +id: CHEBI:4047 +name: L-cysteinylglycine +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:40519 +name: adamantane +is_a: CHEBI:35713 ! polycyclic alkane +is_a: CHEBI:51339 ! adamantanes + +[Term] +id: CHEBI:405237 +name: L-canavanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:40538 +name: benzylamine +is_a: CHEBI:18000 ! aralkylamine +is_a: CHEBI:32877 ! primary amine +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77118 ! EC 3.5.5.1 (nitrilase) inhhibitor + +[Term] +id: CHEBI:4056 +name: cytochrome +is_a: CHEBI:35137 ! hemoprotein + +[Term] +id: CHEBI:40611 +name: adamantanone +is_a: CHEBI:22235 ! adamantanones + +[Term] +id: CHEBI:40656 +name: beta-D-allose +is_a: CHEBI:4093 ! D-allopyranose + +[Term] +id: CHEBI:40666 +name: 1,6-anhydro-N-acetyl-beta-muramic acid +is_a: CHEBI:63379 ! anhydrohexose derivative + +[Term] +id: CHEBI:40673 +name: L-2-amino-3-oxobutanoic acid +is_a: CHEBI:17844 ! 2-amino-3-oxobutanoic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:40721 +name: adenosine 5'-monophosphate(1+) +is_a: CHEBI:25697 ! organic cation +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:40729 +name: N-acetyl-beta-D-muramic acid +is_a: CHEBI:21615 ! N-acetyl-D-muramic acid + +[Term] +id: CHEBI:4075 +name: (R)-(1-aminoethyl)phosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:40751 +name: (S)-adrenaline +is_a: CHEBI:33568 ! adrenaline + +[Term] +id: CHEBI:40753 +name: 9-anthrol +is_a: CHEBI:37088 ! anthrol + +[Term] +id: CHEBI:4077 +name: (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one +is_a: CHEBI:33823 ! enol +is_a: CHEBI:48953 ! cyclohexenones +is_a: CHEBI:51689 ! enone + +[Term] +id: CHEBI:40799 +name: androsta-1,4-diene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:40813 +name: 4-methoxybenzoic acid +is_a: CHEBI:25238 ! methoxybenzoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:40822 +name: aldehydo-D-allose +is_a: CHEBI:17393 ! D-allose +is_a: CHEBI:37748 ! aldehydo-allose + +[Term] +id: CHEBI:4083 +name: D-4-hydroxy-2-oxoglutaric acid +is_a: CHEBI:30923 ! 4-hydroxy-2-oxoglutaric acid + +[Term] +id: CHEBI:40886 +name: beta-L-arabinopyranose +is_a: CHEBI:17535 ! L-arabinopyranose + +[Term] +id: CHEBI:40910 +name: azide anion +is_a: CHEBI:36828 ! pseudohalide anion +relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor + +[Term] +id: CHEBI:4093 +name: D-allopyranose +is_a: CHEBI:17393 ! D-allose +is_a: CHEBI:37742 ! allopyranose +relationship: has_role CHEBI:22586 ! antioxidant + +[Term] +id: CHEBI:40968 +name: astaxanthin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:35310 ! carotenone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77182 ! food colouring + +[Term] +id: CHEBI:40992 +name: N-acetyl-L-alanine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:41117 +name: N-benzylformamide +is_a: CHEBI:24079 ! formamides + +[Term] +id: CHEBI:41131 +name: crotonic acid +is_a: CHEBI:17217 ! 2-butenoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:41139 +name: N,N,N-trimethylglycinium +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:4116 +name: D-erythrulose 4-phosphate +is_a: CHEBI:24980 ! ketotetrose phosphate +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:41183 +name: D-erythro-biopterin +is_a: CHEBI:15373 ! biopterin + +[Term] +id: CHEBI:41189 +name: butane-1,4-diol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:52684 ! butanediol +relationship: has_role CHEBI:48356 ! protic solvent +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:50910 ! neurotoxin + +[Term] +id: CHEBI:41218 +name: mercaptoethanol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:47908 ! alkanethiol + +[Term] +id: CHEBI:41237 +name: benzyl benzoate +is_a: CHEBI:36054 ! benzoate ester +is_a: CHEBI:90628 ! benzyl ester +relationship: has_role CHEBI:22153 ! acaricide +relationship: has_role CHEBI:73333 ! scabicide +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:412516 +name: 5-hydroxymethylfurfural +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:24129 ! furans +is_a: CHEBI:33855 ! arenecarbaldehyde +relationship: has_role CHEBI:47867 ! indicator +relationship: has_role CHEBI:77523 ! Maillard reaction product + +[Term] +id: CHEBI:41253 +name: tetradecane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:4126 +name: D-fructofuranuronic acid +is_a: CHEBI:20937 ! D-fructuronic acid + +[Term] +id: CHEBI:41275 +name: 1H-benzimidazole +is_a: CHEBI:36622 ! benzimidazole +is_a: CHEBI:38180 ! polycyclic heteroarene + +[Term] +id: CHEBI:41308 +name: benzophenone +is_a: CHEBI:22726 ! benzophenones +relationship: has_role CHEBI:47868 ! photosensitizing agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:41321 +name: cholesterol sulfate +is_a: CHEBI:16158 ! steroid sulfate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:4139 +name: D-galactopyranose +is_a: CHEBI:12936 ! D-galactose +is_a: CHEBI:37621 ! galactopyranose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:41402 +name: carboxymethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:4141 +name: D-galactopyranose 6-phosphate +is_a: CHEBI:12937 ! D-galactose 6-phosphate +is_a: CHEBI:61667 ! D-hexopyranose 6-phosphate +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:41425 +name: (7R)-7-(4-carboxybutanamido)cephalosporanic acid +is_a: CHEBI:23066 ! cephalosporin + +[Term] +id: CHEBI:41450 +name: gamma-carboxy-L-glutamic acid +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:41482 +name: (R)-carnitinyl-CoA betaine +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:35284 ! ammonium betaine + +[Term] +id: CHEBI:41487 +name: oxidized Oplophorus luciferin +is_a: CHEBI:38314 ! pyrazines +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:41509 +name: cholesteryl linoleate +is_a: CHEBI:46903 ! cholesteryl octadeca-9,12-dienoate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:4153 +name: D-galactopyranuronic acid +is_a: CHEBI:18024 ! D-galacturonic acid + +[Term] +id: CHEBI:41550 +name: fluoroform +is_a: CHEBI:39281 ! fluoromethanes +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:41582 +name: D-pipecolic acid +is_a: CHEBI:17964 ! pipecolic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:41595 +name: (+)-germacrene A +is_a: CHEBI:36517 ! germacrene A + +[Term] +id: CHEBI:41609 +name: carbonate +is_a: CHEBI:35604 ! carbon oxoanion + +[Term] +id: CHEBI:41625 +name: chromopyrrolic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:59197 ! pyrroledicarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:41630 +name: S-oxy-L-cysteine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:41633 +name: 24(S),25-epoxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:86029 ! liver X receptor agonist + +[Term] +id: CHEBI:4167 +name: D-glucopyranose +is_a: CHEBI:17634 ! D-glucose +is_a: CHEBI:37661 ! glucopyranose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:41674 +name: cyclohexane-1,2-dione +is_a: CHEBI:23478 ! cyclohexanedione + +[Term] +id: CHEBI:4170 +name: D-glucopyranose 6-phosphate +is_a: CHEBI:14314 ! D-glucose 6-phosphate +is_a: CHEBI:61667 ! D-hexopyranose 6-phosphate + +[Term] +id: CHEBI:41710 +name: S-hydroxy-L-cysteine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:41721 +name: L-cysteine-S-dioxide +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:4177 +name: D-glucosylsphingosine +is_a: CHEBI:35436 ! D-glucoside + +[Term] +id: CHEBI:4178 +name: D-glucuronic acid +is_a: CHEBI:24298 ! glucuronic acid + +[Term] +id: CHEBI:41808 +name: decane +is_a: CHEBI:18310 ! alkane + +[Term] +id: CHEBI:41837 +name: (4S,5S)-1,2-dithiane-4,5-diol +is_a: CHEBI:16912 ! trans-1,2-dithiane-4,5-diol + +[Term] +id: CHEBI:41847 +name: 1,2-dioctadecanoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:86987 ! diacylglycerol 36:0 + +[Term] +id: CHEBI:41865 +name: sebacic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:41879 +name: dexamethasone +is_a: CHEBI:24261 ! glucocorticoid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:50830 ! fluorinated steroid +is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:37962 ! adrenergic agent +relationship: has_role CHEBI:50919 ! antiemetic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:4188 +name: D-glycero-D-manno-heptose 1,7-bisphosphate +is_a: CHEBI:35157 ! aldoheptose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:41917 +name: 4-phospho-L-threonic acid +is_a: CHEBI:49064 ! 4-phosphothreonic acid + +[Term] +id: CHEBI:41929 +name: 2-deoxy-5-O-phosphono-beta-L-ribofuranosylcytosine +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:4194 +name: D-hexose +is_a: CHEBI:18133 ! hexose + +[Term] +id: CHEBI:41941 +name: (3,4-dihydroxyphenyl)acetic acid +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:61409 ! dihydroxyphenylacetic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:41945 +name: 9-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)guanine +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:4195 +name: D-hexose 6-phosphate +is_a: CHEBI:15965 ! D-hexose phosphate +is_a: CHEBI:47877 ! hexose 6-phosphate + +[Term] +id: CHEBI:41963 +name: (-)-taxifolin +is_a: CHEBI:38747 ! taxifolin + +[Term] +id: CHEBI:41977 +name: daunorubicin +is_a: CHEBI:22507 ! aminoglycoside antibiotic +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:41983 +name: 4'-epidoxorubicinium +is_a: CHEBI:64678 ! anthracycline cation + +[Term] +id: CHEBI:42017 +name: 2,4-dinitrophenol +is_a: CHEBI:39352 ! dinitrophenol +relationship: has_role CHEBI:48218 ! antiseptic drug +relationship: has_role CHEBI:73267 ! oxidative phosphorylation inhibitor +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:42027 +name: 1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:84815 ! 1,2-di-octadecadienoyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:4208 +name: D-mannopyranose +is_a: CHEBI:16024 ! D-mannose +is_a: CHEBI:17608 ! D-aldohexose +is_a: CHEBI:37683 ! mannopyranose +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:42088 +name: alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc +is_a: CHEBI:62263 ! alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-D-GlcpNAc + +[Term] +id: CHEBI:42090 +name: L-threitol +is_a: CHEBI:26981 ! threitol +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:42101 +name: D-norleucine +is_a: CHEBI:36405 ! 2-aminohexanoic acid + +[Term] +id: CHEBI:42111 +name: (R)-lactic acid +is_a: CHEBI:78320 ! 2-hydroxypropanoic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:42112 +name: 1-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)thymine +is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:42115 +name: 3-deoxy-alpha-D-manno-2-octulosonic acid 8-phosphate +is_a: CHEBI:24962 ! ketoaldonic acid phosphate +is_a: CHEBI:63436 ! carbohydrate acid derivative + +[Term] +id: CHEBI:42147 +name: (4R,5R)-1,2-dithiane-4,5-diol +is_a: CHEBI:16912 ! trans-1,2-dithiane-4,5-diol + +[Term] +id: CHEBI:42156 +name: 17-epiestriol +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:63951 ! estrogen receptor agonist +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:42164 +name: 3-AMINO-ALANINE +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:42191 +name: ethylenediaminetetraacetic acid +is_a: CHEBI:31577 ! ethylenediamine derivative +is_a: CHEBI:35742 ! tetracarboxylic acid +is_a: CHEBI:60892 ! polyamino carboxylic acid +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:50247 ! antidote +relationship: has_role CHEBI:50249 ! anticoagulant + +[Term] +id: CHEBI:422 +name: (S)-lactic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:78320 ! 2-hydroxypropanoic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:42202 +name: daidzein 7-O-beta-D-glucoside +is_a: CHEBI:140301 ! 7-hydroxyisoflavones 7-O-beta-D-glucoside +is_a: CHEBI:38755 ! hydroxyisoflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:4222 +name: D-pantetheine 4'-phosphate +is_a: CHEBI:16858 ! pantetheine 4'-phosphate +relationship: has_role CHEBI:26348 ! prosthetic group + +[Term] +id: CHEBI:42223 +name: emodin +is_a: CHEBI:37488 ! trihydroxyanthraquinone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor +relationship: has_role CHEBI:50503 ! laxative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:42255 +name: (-)-epigallocatechin +is_a: CHEBI:23053 ! catechin +is_a: CHEBI:71224 ! flavan-3,3',4',5,5',7-hexol +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:42266 +name: ethane +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78433 ! refrigerant + +[Term] +id: CHEBI:42355 +name: erythromycin A +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:48923 ! erythromycin + +[Term] +id: CHEBI:42362 +name: (6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene +is_a: CHEBI:36534 ! 2,6,10-trimethyldodeca-2,6,10-triene + +[Term] +id: CHEBI:42394 +name: tricosanoic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:42438 +name: 2-methoxy-4-vinylphenol +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:42465 +name: ethanesulfonic acid +is_a: CHEBI:47901 ! alkanesulfonic acid + +[Term] +id: CHEBI:42471 +name: forskolin +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:27136 ! triol +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:35674 ! antihypertensive agent +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:64946 ! anti-HIV agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78547 ! protein kinase A agonist +relationship: has_role CHEBI:78548 ! adenylate cyclase agonist + +[Term] +id: CHEBI:42485 +name: formyl group +is_a: CHEBI:27207 ! univalent carboacyl group + +[Term] +id: CHEBI:4249 +name: D-tagatopyranose +is_a: CHEBI:16443 ! D-tagatose + +[Term] +id: CHEBI:4250 +name: D-tagatofuranose 1,6-bisphosphate +is_a: CHEBI:16743 ! D-tagatose 1,6-bisphosphate + +[Term] +id: CHEBI:42504 +name: pentadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:4251 +name: D-tagatofuranose 6-phosphate +is_a: CHEBI:17837 ! D-tagatose 6-phosphate + +[Term] +id: CHEBI:42534 +name: epitestosterone +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:35497 ! androgen antagonist +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:42539 +name: (R)-3-hydroxytetradecanoic acid +is_a: CHEBI:85148 ! 3-hydroxytetradecanoic acid +is_a: CHEBI:85678 ! (3R)-3-hydroxy fatty acid + +[Term] +id: CHEBI:42548 +name: alpha-L-fucose +is_a: CHEBI:2181 ! L-fucopyranose +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:42564 +name: alpha-D-fucose +is_a: CHEBI:2179 ! D-fucopyranose + +[Term] +id: CHEBI:42589 +name: beta-L-fucose +is_a: CHEBI:2181 ! L-fucopyranose + +[Term] +id: CHEBI:425902 +name: propiophenone +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:48318 ! fragrance + +[Term] +id: CHEBI:42626 +name: glycyl-AMP zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:42630 +name: propylbenzene +is_a: CHEBI:38976 ! alkylbenzene + +[Term] +id: CHEBI:42646 +name: flaviolin +is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:42660 +name: GDP-beta-L-galactose +is_a: CHEBI:18038 ! GDP-L-galactose + +[Term] +id: CHEBI:42677 +name: (2R)-2-hydroxypropylammonium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:42717 +name: alpha-D-glucuronic acid +is_a: CHEBI:47952 ! D-glucopyranuronic acid + +[Term] +id: CHEBI:42724 +name: (R)-amphetamine +is_a: CHEBI:132233 ! 1-phenylpropan-2-amine + +[Term] +id: CHEBI:4280 +name: (2R,4S)-2,4-diaminopentanoic acid +is_a: CHEBI:904 ! 2,4-diaminopentanoic acid + +[Term] +id: CHEBI:42819 +name: 5-dehydro-4-deoxy-D-glucarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:42820 +name: guanidine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:35359 ! carboxamidine +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:42896 +name: 1-thio-beta-D-glucopyranose +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:73754 ! thiosugar + +[Term] +id: CHEBI:42905 +name: alpha-L-galactose +is_a: CHEBI:37619 ! L-galactopyranose + +[Term] +id: CHEBI:42939 +name: cyclohexylammonium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:42977 +name: 25-hydroxycholesterol +is_a: CHEBI:36864 ! 25-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:42989 +name: 7beta-hydroxycholesterol +is_a: CHEBI:35349 ! 7beta-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol + +[Term] +id: CHEBI:43029 +name: L-erythro-7,8-dihydrobiopterin +is_a: CHEBI:64277 ! 7,8-dihydrobiopterin + +[Term] +id: CHEBI:43034 +name: 7,8-didemethyl-8-hydroxy-5-deazariboflavin +is_a: CHEBI:59535 ! pyrimidoquinolines +relationship: has_role CHEBI:26348 ! prosthetic group + +[Term] +id: CHEBI:43035 +name: (R)-hydratropic acid +is_a: CHEBI:48526 ! hydratropic acid + +[Term] +id: CHEBI:43065 +name: (S)-3-phenyllactic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:25998 ! 3-phenyllactic acid + +[Term] +id: CHEBI:43074 +name: (3S)-3-hydroxy-3-methylglutaryl-CoA(5-) +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:43088 +name: N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine +is_a: CHEBI:28538 ! N(omega)-hydroxy-L-arginine +is_a: CHEBI:47827 ! N(5)-[(hydroxyamino)(imino)methyl]ornithine + +[Term] +id: CHEBI:43098 +name: heptane +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:43120 +name: (6R)-L-erythro-6,7-dihydrobiopterin +is_a: CHEBI:20680 ! 6,7-dihydrobiopterin + +[Term] +id: CHEBI:43129 +name: (+)-6a-hydroxymaackiain +is_a: CHEBI:26377 ! pterocarpans +is_a: CHEBI:26878 ! tertiary alcohol + +[Term] +id: CHEBI:43176 +name: hydroxy group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:43186 +name: 5-hydroxy-D-tryptophan +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:28171 ! 5-hydroxytryptophan +is_a: CHEBI:47997 ! D-tryptophan derivative + +[Term] +id: CHEBI:43197 +name: (R)-3-hydroxylauric acid +is_a: CHEBI:36206 ! 3-hydroxylauric acid +is_a: CHEBI:85678 ! (3R)-3-hydroxy fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:43254 +name: (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one +is_a: CHEBI:38337 ! pyrimidone + +[Term] +id: CHEBI:43291 +name: L-erythro-isocitric acid +is_a: CHEBI:30887 ! isocitric acid + +[Term] +id: CHEBI:43419 +name: isoursodeoxycholic acid +is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:43433 +name: L-alloisoleucine +is_a: CHEBI:22359 ! alloisoleucine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:43445 +name: (+)-aristolochene +is_a: CHEBI:36529 ! aristolochene + +[Term] +id: CHEBI:43451 +name: hydrogen iodide +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18140 ! hydrogen halide +is_a: CHEBI:37176 ! mononuclear parent hydride +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:43468 +name: (2R,3S)-3-isopropylmalic acid +is_a: CHEBI:35114 ! 3-isopropylmalic acid + +[Term] +id: CHEBI:43474 +name: hydrogenphosphate +is_a: CHEBI:35780 ! phosphate ion +is_a: CHEBI:79388 ! divalent inorganic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:43572 +name: kojic acid +is_a: CHEBI:131906 ! 4-pyranones +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:33823 ! enol +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor +relationship: has_role CHEBI:76956 ! Aspergillus metabolite +relationship: has_role CHEBI:85046 ! skin lightening agent +relationship: has_role CHEBI:85049 ! EC 1.10.3.1 (catechol oxidase) inhibitor +relationship: has_role CHEBI:85050 ! EC 1.10.3.2 (laccase) inhibitor +relationship: has_role CHEBI:85051 ! EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor +relationship: has_role CHEBI:85052 ! EC 1.4.3.3 (D-amino-acid oxidase) inhibitor + +[Term] +id: CHEBI:43577 +name: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid +is_a: CHEBI:11791 ! 3-deoxy-D-manno-octulosonic acid + +[Term] +id: CHEBI:43615 +name: 2H-imidazol-4-ylacetic acid +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:43619 +name: icosane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:43703 +name: beta-L-fructofuranose +is_a: CHEBI:37725 ! L-fructofuranose + +[Term] +id: CHEBI:43711 +name: (R)-dihydrolipoamide +is_a: CHEBI:17694 ! dihydrolipoamide + +[Term] +id: CHEBI:4372 +name: (6S)-dehydrovomifoliol +is_a: CHEBI:18429 ! dehydrovomifoliol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:43722 +name: isomyristic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid + +[Term] +id: CHEBI:43732 +name: thiazole +is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +is_a: CHEBI:38179 ! monocyclic heteroarene +is_a: CHEBI:38418 ! 1,3-thiazoles + +[Term] +id: CHEBI:437678 +name: (S)-columbianetin +is_a: CHEBI:59948 ! columbianetin + +[Term] +id: CHEBI:43786 +name: D-glycero-alpha-D-manno-heptose 7-phosphate +is_a: CHEBI:28723 ! D-glycero-D-manno-heptose 7-phosphate + +[Term] +id: CHEBI:43796 +name: (S)-lipoic acid +is_a: CHEBI:16494 ! lipoic acid +is_a: CHEBI:39192 ! dithiolanes +is_a: CHEBI:48847 ! heterocyclic fatty acid +is_a: CHEBI:59643 ! thia fatty acid + +[Term] +id: CHEBI:43799 +name: butan-1-amine +is_a: CHEBI:17062 ! primary aliphatic amine + +[Term] +id: CHEBI:43858 +name: L-vinylglycine +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:136984 ! EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor + +[Term] +id: CHEBI:43896 +name: alpha-D-mannose 6-phosphate +is_a: CHEBI:48066 ! D-mannopyranose 6-phosphate +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:43966 +name: melagatran +is_a: CHEBI:35359 ! carboxamidine +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +is_a: CHEBI:38777 ! azetidines +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:64926 ! serine protease inhibitor +relationship: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor + +[Term] +id: CHEBI:43967 +name: N(2),N(2)-dimethylguanosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:439819 +name: L-alpha-phenylglycine +is_a: CHEBI:55484 ! alpha-phenylglycine + +[Term] +id: CHEBI:43986 +name: N(6),N(6)-dimethyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:43991 +name: malonamic acid +is_a: CHEBI:22823 ! beta-alanine derivative + +[Term] +id: CHEBI:43997 +name: N(6),N(6)-dimethyl-L-lysine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:44027 +name: menaquinone-8 +is_a: CHEBI:16374 ! menaquinone + +[Term] +id: CHEBI:44074 +name: molybdopterin +is_a: CHEBI:35203 ! molybdopterins + +[Term] +id: CHEBI:44075 +name: methyl L-leucinate +is_a: CHEBI:25018 ! L-leucine derivative +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:46874 ! alpha-amino acid ester + +[Term] +id: CHEBI:44089 +name: (2S)-2-methyltetradecanoyl-CoA +is_a: CHEBI:15450 ! (2R)-2-methylacyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA + +[Term] +id: CHEBI:44111 +name: 3-mercaptopropanoic acid +is_a: CHEBI:47871 ! mercaptopropanoic acid +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:44120 +name: L-methionine (S)-S-oxide residue +is_a: CHEBI:15989 ! L-methionine S-oxide residue + +[Term] +id: CHEBI:44147 +name: menaquinone-9 +is_a: CHEBI:16374 ! menaquinone +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:44185 +name: methotrexate +is_a: CHEBI:26373 ! pteridines +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:35842 ! antirheumatic drug +relationship: has_role CHEBI:50177 ! dermatologic drug +relationship: has_role CHEBI:50683 ! EC 1.5.1.3 (dihydrofolate reductase) inhibitor +relationship: has_role CHEBI:50691 ! abortifacient +relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor + +[Term] +id: CHEBI:44215 +name: NAD zwitterion +is_a: CHEBI:13389 ! NAD + +[Term] +id: CHEBI:44230 +name: 6-(alpha-D-glucosaminyl)-1D-myo-inositol +is_a: CHEBI:35373 ! D-glucosaminide +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:44236 +name: (S)-NADHX +is_a: CHEBI:26916 ! tetrahydronicotinamide adenine dinucleotide +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:44245 +name: menaquinone-7 +is_a: CHEBI:16374 ! menaquinone +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite + +[Term] +id: CHEBI:44247 +name: (15Z)-tetracosenoic acid +is_a: CHEBI:36032 ! tetracosenoic acid + +[Term] +id: CHEBI:44278 +name: N-acetyl-alpha-D-glucosamine +is_a: CHEBI:506227 ! N-acetyl-D-glucosamine + +[Term] +id: CHEBI:4429 +name: deoxypodophyllotoxin +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:37581 ! gamma-lactone +is_a: CHEBI:50307 ! furonaphthodioxole +is_a: CHEBI:51683 ! methoxybenzenes +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:44303 +name: L-m-tyrosine +is_a: CHEBI:24734 ! hydroxyphenylalanine +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84144 ! L-phenylalanine derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:4431 +name: deoxyribonucleotide +is_a: CHEBI:23634 ! deoxyaldopentose phosphate +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:44312 +name: beta-muramic acid +is_a: CHEBI:7027 ! 2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose + +[Term] +id: CHEBI:44313 +name: N-acetyl-alpha-D-galactosamine 1-phosphate +is_a: CHEBI:55404 ! N-acetyl-D-galactosamine 1-phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:44337 +name: N-acetyl-L-glutamate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:44343 +name: (1R,2S)-1,2-dihydronaphthalene-1,2-diol +is_a: CHEBI:15561 ! cis-1,2-dihydronaphthalene-1,2-diol + +[Term] +id: CHEBI:44348 +name: N-ethylsuccinimide +is_a: CHEBI:35356 ! dicarboximide +is_a: CHEBI:38275 ! pyrrolidinone + +[Term] +id: CHEBI:443725 +name: fosmidomycin +is_a: CHEBI:24650 ! hydroxamic acid +is_a: CHEBI:26069 ! phosphonic acids +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77654 ! EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor + +[Term] +id: CHEBI:4439 +name: dermatan +is_a: CHEBI:37395 ! mucopolysaccharide + +[Term] +id: CHEBI:44395 +name: N-acetyl-beta-D-galactosamine 6-sulfate +is_a: CHEBI:24155 ! galactosamine sulfate + +[Term] +id: CHEBI:44400 +name: 2-iminiopropionate +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:44409 +name: NADP zwitterion +is_a: CHEBI:25523 ! NADP +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:44423 +name: hydroxyurea +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor +relationship: has_role CHEBI:64911 ! antimitotic +relationship: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor + +[Term] +id: CHEBI:44485 +name: N-ethylmaleimide +is_a: CHEBI:55417 ! maleimides +relationship: has_role CHEBI:77115 ! EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor +relationship: has_role CHEBI:78366 ! EC 2.7.1.1 (hexokinase) inhibitor +relationship: has_role CHEBI:78377 ! EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor + +[Term] +id: CHEBI:44510 +name: (S)-2-hydroxy-4-methylpentanoic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:59783 ! 2-hydroxy-4-methylvaleric acid + +[Term] +id: CHEBI:44526 +name: (10E,12Z)-octadecadienoic acid +is_a: CHEBI:36331 ! octadeca-10,12-dienoic acid + +[Term] +id: CHEBI:44549 +name: 4-amino-5-aminomethyl-2-methylpyrimidine +is_a: CHEBI:38338 ! aminopyrimidine + +[Term] +id: CHEBI:44557 +name: nitrilotriacetic acid +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:39054 ! NTA +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50909 ! nephrotoxic agent + +[Term] +id: CHEBI:44576 +name: 2'-hydroxybiphenyl-2-sulfinic acid +is_a: CHEBI:24681 ! hydroxybiphenyls +is_a: CHEBI:37783 ! organosulfinic acid + +[Term] +id: CHEBI:44638 +name: 2'-O-methylguanosine 5'-monophosphate +is_a: CHEBI:37121 ! guanosine 5'-phosphate + +[Term] +id: CHEBI:44639 +name: tert-butylamine +is_a: CHEBI:17062 ! primary aliphatic amine + +[Term] +id: CHEBI:44642 +name: 2'-O-methyluridine 5'-monophosphate +is_a: CHEBI:27232 ! uridine 5'-phosphate + +[Term] +id: CHEBI:44666 +name: 2'-O-methylcytidine 5'-monophosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:44667 +name: L-ornithinium(2+) +is_a: CHEBI:46913 ! ornithinium(2+) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:44678 +name: alpha-D-glucosamine +is_a: CHEBI:47977 ! 2-amino-2-deoxy-D-glucopyranose + +[Term] +id: CHEBI:44680 +name: 3-oxooctanoic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid + +[Term] +id: CHEBI:4469 +name: (S)-amphetamine +is_a: CHEBI:132233 ! 1-phenylpropan-2-amine +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor +relationship: has_role CHEBI:37962 ! adrenergic agent +relationship: has_role CHEBI:48560 ! dopaminergic agent +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor + +[Term] +id: CHEBI:4470 +name: dextromethorphan +is_a: CHEBI:25418 ! morphinane alkaloid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:83818 ! morphinane-like compound +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:51177 ! antitussive +relationship: has_role CHEBI:60643 ! NMDA receptor antagonist +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:44747 +name: homogentisic acid +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:61409 ! dihydroxyphenylacetic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:44788 +name: 2-succinylbenzoic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:44800 +name: (2R,4S)-2-methyltetrahydrofuran-2,3,3,4-tetrol +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:47041 ! tetrahydroxytetrahydrofuran +is_a: CHEBI:59779 ! cyclic ketal +is_a: CHEBI:63734 ! ketone hydrate +relationship: has_role CHEBI:71338 ! autoinducer + +[Term] +id: CHEBI:44811 +name: 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:35674 ! antihypertensive agent +relationship: has_role CHEBI:50141 ! bronchoconstrictor agent +relationship: has_role CHEBI:50248 ! hematologic agent + +[Term] +id: CHEBI:44813 +name: N,N-dimethyl-L-prolinium +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:44841 +name: 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-one +is_a: CHEBI:38797 ! dihydropterin + +[Term] +id: CHEBI:44884 +name: pentan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:50584 ! alkyl alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:44897 +name: phosphoenolpyruvic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:44898 +name: pheophytin a +is_a: CHEBI:8108 ! pheophytin + +[Term] +id: CHEBI:44951 +name: dioxidophosphate(1-) +is_a: CHEBI:33461 ! phosphorus oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:44962 +name: D-alpha-phenylglycine +is_a: CHEBI:55484 ! alpha-phenylglycine + +[Term] +id: CHEBI:44976 +name: phosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:33457 ! phosphorus oxoacid +relationship: has_role CHEBI:24127 ! fungicide + +[Term] +id: CHEBI:44992 +name: 2-aminopteridin-4(3H)-one +is_a: CHEBI:26374 ! pterin + +[Term] +id: CHEBI:45013 +name: 2-phospho-L-lactic acid +is_a: CHEBI:340863 ! 2-phospholactic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate + +[Term] +id: CHEBI:45021 +name: palmitoyl group +is_a: CHEBI:24027 ! fatty-acyl group + +[Term] +id: CHEBI:45049 +name: 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:45064 +name: phosphite(3-) +is_a: CHEBI:26045 ! phosphite ion +is_a: CHEBI:79387 ! trivalent inorganic anion + +[Term] +id: CHEBI:45075 +name: 7-cyano-7-deazaguanine +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:38670 ! pyrrolopyrimidine +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:45126 +name: 7-aminomethyl-7-deazaguanine +is_a: CHEBI:38670 ! pyrrolopyrimidine + +[Term] +id: CHEBI:45129 +name: methylphosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:45133 +name: pivalic acid +is_a: CHEBI:26666 ! short-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid + +[Term] +id: CHEBI:45212 +name: diphosphate(2-) +is_a: CHEBI:35782 ! diphosphate ion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:45230 +name: (R)-dihydrolipoic acid +is_a: CHEBI:18047 ! dihydrolipoic acid + +[Term] +id: CHEBI:45240 +name: 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +is_a: CHEBI:65294 ! phosphatidylcholine 28:0 +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:45257 +name: ribostamycin +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:22507 ! aminoglycoside antibiotic +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:36047 ! antibacterial drug + +[Term] +id: CHEBI:45285 +name: pyrazinecarboxamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:38314 ! pyrazines +is_a: CHEBI:83628 ! N-acylammonia +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:50266 ! prodrug + +[Term] +id: CHEBI:45296 +name: hexadecane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:45373 +name: sulfanilamide +is_a: CHEBI:35358 ! sulfonamide +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:87228 ! sulfonamide antibiotic +relationship: has_role CHEBI:23018 ! EC 4.2.1.1 (carbonic anhydrase) inhibitor +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:45389 +name: (R)-styrene oxide +is_a: CHEBI:17907 ! styrene oxide + +[Term] +id: CHEBI:45410 +name: (S)-2-hydroxypropylphosphonic acid +is_a: CHEBI:1171 ! 2-hydroxypropylphosphonic acid + +[Term] +id: CHEBI:45441 +name: N-acetyl-L-serine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:22194 ! acetyl-L-serine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:45479 +name: 13-cis-retinol +is_a: CHEBI:50211 ! retinol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:45487 +name: 13-cis-retinal +is_a: CHEBI:15035 ! retinal +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:45506 +name: alpha-D-ribose +is_a: CHEBI:47013 ! D-ribofuranose + +[Term] +id: CHEBI:45522 +name: O-phospho-L-serine residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:45525 +name: (R)-2-methylbutyric acid +is_a: CHEBI:37070 ! 2-methylbutyric acid + +[Term] +id: CHEBI:4553 +name: dihydroanhydropodorhizol +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:51683 ! methoxybenzenes +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:45557 +name: sec-butyl group +is_a: CHEBI:22323 ! alkyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:45564 +name: 5-hydroxypentanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:45571 +name: heptanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:45599 +name: dodecyl hydrogen sulfate +is_a: CHEBI:29281 ! alkyl sulfate + +[Term] +id: CHEBI:45616 +name: (R)-1-phenylethanol +is_a: CHEBI:669 ! 1-phenylethanol +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:456215 +name: adenosine 5'-monophosphate(2-) +is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:456216 +name: ADP(3-) +is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:45630 +name: 4-oxopentanoic acid +is_a: CHEBI:25799 ! oxopentanoic acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:45696 +name: hydrogensulfate +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:45713 +name: trans-resveratrol +is_a: CHEBI:27881 ! resveratrol +relationship: has_role CHEBI:138977 ! quorum sensing inhibitor +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:26115 ! phytoalexin +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:45718 +name: 3,3,3-tetramine +is_a: CHEBI:39166 ! tetramine +is_a: CHEBI:39474 ! polyazaalkane + +[Term] +id: CHEBI:45725 +name: spermine(4+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:45744 +name: N-acetyl-beta-neuraminic acid +is_a: CHEBI:17012 ! N-acetylneuraminic acid +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:45757 +name: (5S)-5-(carboxymethyl)-L-proline +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:84186 ! L-proline derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:45764 +name: L-methionine (R)-S-oxide residue +is_a: CHEBI:15989 ! L-methionine S-oxide residue + +[Term] +id: CHEBI:4579 +name: dihydropinosylvin +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:51571 ! diphenylethane +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:45804 +name: beta-D-tagatofuranose 6-phosphate +is_a: CHEBI:4251 ! D-tagatofuranose 6-phosphate + +[Term] +id: CHEBI:4581 +name: 7,8-dihydropteroic acid +is_a: CHEBI:38795 ! pteroic acids + +[Term] +id: CHEBI:45815 +name: N-octanoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine + +[Term] +id: CHEBI:45826 +name: N-acetyl-L-threonine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:84189 ! L-threonine derivative + +[Term] +id: CHEBI:45863 +name: paclitaxel +is_a: CHEBI:50367 ! taxane diterpenoid +is_a: CHEBI:52557 ! tetracyclic diterpenoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:61950 ! microtubule-stabilising agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:45868 +name: dTDP-4-dehydro-beta-L-rhamnose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:45869 +name: estriol 3-O-(beta-D-glucuronide) +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:45895 +name: tert-butanol +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:45906 +name: suramin +is_a: CHEBI:36336 ! naphthalenesulfonic acid +relationship: has_role CHEBI:35444 ! antinematodal drug +relationship: has_role CHEBI:36335 ! trypanocidal drug + +[Term] +id: CHEBI:45912 +name: D-threonate +is_a: CHEBI:15243 ! threonate + +[Term] +id: CHEBI:4593 +name: dihydroxyfumaric acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid + +[Term] +id: CHEBI:45931 +name: thiamine(1+) diphosphate(1-) +is_a: CHEBI:26945 ! thiamine phosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:45956 +name: tristearoylglycerol +is_a: CHEBI:138347 ! triacylglycerol 54:0 +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite + +[Term] +id: CHEBI:45969 +name: tricarballylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:45979 +name: thiabendazole +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:38418 ! 1,3-thiazoles +is_a: CHEBI:87036 ! benzimidazole fungicide +relationship: has_role CHEBI:35444 ! antinematodal drug +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:45996 +name: ribothymidine +is_a: CHEBI:25347 ! methyluridine +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46024 +name: trichostatin A +is_a: CHEBI:24650 ! hydroxamic acid +is_a: CHEBI:39146 ! trichostatin +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:46050 +name: docosane +is_a: CHEBI:83563 ! long-chain alkane +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:46053 +name: 2,4,6-trinitrotoluene +is_a: CHEBI:27135 ! trinitrotoluene +relationship: has_role CHEBI:63490 ! explosive + +[Term] +id: CHEBI:46077 +name: 4H-1,2,4-triazole +is_a: CHEBI:35560 ! 1,2,4-triazole + +[Term] +id: CHEBI:46081 +name: fluconazole +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38582 ! difluorobenzene +is_a: CHEBI:87071 ! conazole antifungal drug +is_a: CHEBI:87101 ! triazole antifungal drug +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50183 ! P450 inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:46143 +name: UDP-N-acetyl-alpha-muramoyl-L-alanyl-D-glutamic acid +is_a: CHEBI:16970 ! UDP-N-acetylmuramoyl-L-alanyl-D-glutamic acid + +[Term] +id: CHEBI:46195 +name: paracetamol +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:35493 ! antipyretic +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor +relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor +relationship: has_role CHEBI:50908 ! hepatotoxic agent +relationship: has_role CHEBI:73263 ! cyclooxygenase 3 inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:46209 +name: L-tyrosinal +is_a: CHEBI:22492 ! amino aldehyde +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:46229 +name: UDP-alpha-D-glucose +is_a: CHEBI:18066 ! UDP-D-glucose +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:4623 +name: (carboxymethyl)(dimethyl)sulfonium +is_a: CHEBI:26830 ! sulfonium compound + +[Term] +id: CHEBI:46245 +name: coenzyme Q10 +is_a: CHEBI:16389 ! ubiquinones +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46252 +name: 5,6-diaminouracil +is_a: CHEBI:22532 ! aminouracil +is_a: CHEBI:23666 ! diamine +is_a: CHEBI:38337 ! pyrimidone + +[Term] +id: CHEBI:46261 +name: N-phenylthiourea +is_a: CHEBI:51276 ! thioureas +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor + +[Term] +id: CHEBI:46280 +name: beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:4629 +name: diosgenin +is_a: CHEBI:26606 ! sapogenin +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:70994 ! hexacyclic triterpenoid +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:68495 ! apoptosis inducer + +[Term] +id: CHEBI:46342 +name: undecane +is_a: CHEBI:18310 ! alkane + +[Term] +id: CHEBI:46345 +name: 5-fluorouracil +is_a: CHEBI:37143 ! organofluorine compound +is_a: CHEBI:67142 ! nucleobase analogue +relationship: has_role CHEBI:132992 ! radiosensitizing agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:4638 +name: diphenidol +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:50919 ! antiemetic + +[Term] +id: CHEBI:46398 +name: UTP(4-) +is_a: CHEBI:61557 ! nucleoside triphosphate(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46430 +name: (-)-alpha-tocopherol +is_a: CHEBI:22470 ! alpha-tocopherol + +[Term] +id: CHEBI:46442 +name: vanadate(3-) +is_a: CHEBI:30528 ! vanadium oxoanion +is_a: CHEBI:79387 ! trivalent inorganic anion +relationship: has_role CHEBI:35608 ! EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor +relationship: has_role CHEBI:37153 ! EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor +relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor +relationship: has_role CHEBI:77024 ! EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor + +[Term] +id: CHEBI:46470 +name: uridine 5'-monophosphate residue +is_a: CHEBI:50299 ! canonical ribonucleotide residue + +[Term] +id: CHEBI:4648 +name: hop-22(29)-ene +is_a: CHEBI:35191 ! triterpene + +[Term] +id: CHEBI:46502 +name: tungstate +is_a: CHEBI:36270 ! tungsten oxoanion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:46570 +name: cis-zeatin +is_a: CHEBI:15333 ! zeatin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:46574 +name: wybutosine +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:60783 ! nucleoside analogue + +[Term] +id: CHEBI:46611 +name: phosphorothioic O,O,O-acid +is_a: CHEBI:46612 ! phosphorothioic acid + +[Term] +id: CHEBI:46612 +name: phosphorothioic acid +is_a: CHEBI:33457 ! phosphorus oxoacid + +[Term] +id: CHEBI:46613 +name: phosphorothioic O,O,S-acid +is_a: CHEBI:46612 ! phosphorothioic acid + +[Term] +id: CHEBI:46629 +name: oxo group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:46633 +name: carbapenems +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:27933 ! beta-lactam antibiotic +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:46634 +name: carbapenemcarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:46633 ! carbapenems + +[Term] +id: CHEBI:46638 +name: O-sinapoyl-D-glucaric acid +is_a: CHEBI:16681 ! O-sinapoylglucaric acid + +[Term] +id: CHEBI:46640 +name: diketone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:46644 +name: D-altronic acid +is_a: CHEBI:33532 ! altronic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:46645 +name: isobutanol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:50584 ! alkyl alcohol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:46662 +name: mineral +is_a: CHEBI:59999 ! chemical substance + +[Term] +id: CHEBI:46668 +name: amino acid ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:46685 +name: oxadiazole +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:46686 +name: azaalkane +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:46687 +name: diazaalkane +is_a: CHEBI:39474 ! polyazaalkane + +[Term] +id: CHEBI:46691 +name: 2,3-dihydroxy-5-methyl-1,4-benzoquinone +is_a: CHEBI:132124 ! 1,4-benzoquinones + +[Term] +id: CHEBI:46695 +name: fluorohydrocarbon +is_a: CHEBI:24472 ! halohydrocarbon +is_a: CHEBI:37143 ! organofluorine compound + +[Term] +id: CHEBI:46700 +name: benzoxazole +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:46701 +name: pyrrolidinemonocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:46767 ! pyrrolidinecarboxylic acid + +[Term] +id: CHEBI:46702 +name: (-)-geosmin +is_a: CHEBI:46703 ! geosmin + +[Term] +id: CHEBI:46703 +name: geosmin +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:33654 ! alicyclic compound + +[Term] +id: CHEBI:46705 +name: (+)-geosmin +is_a: CHEBI:46703 ! geosmin + +[Term] +id: CHEBI:4672 +name: docetaxel anhydrous +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:52557 ! tetracyclic diterpenoid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38068 ! antimalarial +relationship: has_role CHEBI:47868 ! photosensitizing agent + +[Term] +id: CHEBI:46722 +name: carbonate ester +is_a: CHEBI:23016 ! carbonates +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:46723 +name: phosphate mineral +is_a: CHEBI:46662 ! mineral + +[Term] +id: CHEBI:46731 +name: alkyl diphosphate +is_a: CHEBI:22324 ! alkyl phosphate + +[Term] +id: CHEBI:46733 +name: oxabicycloalkane +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:46734 +name: (1E,4S,5E,7R)-germacra-1(10),5-dien-11-ol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:68588 ! germacrane sesquiterpenoid + +[Term] +id: CHEBI:4676 +name: dodecanedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:50269 ! EC 1.1.1.1 (alcohol dehydrogenase) inhibitor +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46761 +name: dipeptide +is_a: CHEBI:25676 ! oligopeptide + +[Term] +id: CHEBI:46762 +name: (E,E,E)-geranylgeraniol +is_a: CHEBI:24229 ! geranylgeraniol + +[Term] +id: CHEBI:46765 +name: carbapenem +is_a: CHEBI:46633 ! carbapenems + +[Term] +id: CHEBI:46767 +name: pyrrolidinecarboxylic acid +is_a: CHEBI:38260 ! pyrrolidines + +[Term] +id: CHEBI:46770 +name: pyrrolidinecarboxamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:38260 ! pyrrolidines + +[Term] +id: CHEBI:46774 +name: polyether +is_a: CHEBI:25698 ! ether + +[Term] +id: CHEBI:46775 +name: N-alkylpyrrolidine +is_a: CHEBI:38260 ! pyrrolidines +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:46787 +name: solvent +is_a: CHEBI:33232 ! application +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:468 +name: poly[(1->4)-beta-D-mannuronic acid] +is_a: CHEBI:37164 ! homopolysaccharide + +[Term] +id: CHEBI:46811 +name: 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one +is_a: CHEBI:27226 ! uric acid + +[Term] +id: CHEBI:46812 +name: 1,3-oxazoles +is_a: CHEBI:35790 ! oxazole + +[Term] +id: CHEBI:46814 +name: 9H-purine-2,6,8-triol +is_a: CHEBI:27226 ! uric acid + +[Term] +id: CHEBI:46817 +name: 7H-purine-2,6,8-triol +is_a: CHEBI:27226 ! uric acid + +[Term] +id: CHEBI:46818 +name: urate anion +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46819 +name: urate salt +is_a: CHEBI:24868 ! organic salt +relationship: has_part CHEBI:46818 ! urate anion + +[Term] +id: CHEBI:46820 +name: 2,6,8-trihydroxypurin-7-ide +is_a: CHEBI:30848 ! urate(1-) + +[Term] +id: CHEBI:46821 +name: 6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate +is_a: CHEBI:30848 ! urate(1-) + +[Term] +id: CHEBI:46822 +name: 2,8-dihydroxy-1H-purin-6-olate +is_a: CHEBI:30848 ! urate(1-) + +[Term] +id: CHEBI:46823 +name: 1H-purine-2,6,8-triol +is_a: CHEBI:27226 ! uric acid + +[Term] +id: CHEBI:46824 +name: 2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-olate +is_a: CHEBI:30848 ! urate(1-) + +[Term] +id: CHEBI:46825 +name: 6-oxo-6,7-dihydro-1H-purine-2,8-diolate +is_a: CHEBI:27216 ! urate(2-) + +[Term] +id: CHEBI:46826 +name: 2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide +is_a: CHEBI:27216 ! urate(2-) + +[Term] +id: CHEBI:46827 +name: carboxypyridinecarboxylate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:46828 +name: quinolinate(1-) +is_a: CHEBI:132942 ! quinolinate +is_a: CHEBI:46827 ! carboxypyridinecarboxylate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46835 +name: dipicolinate(1-) +is_a: CHEBI:46827 ! carboxypyridinecarboxylate + +[Term] +id: CHEBI:46837 +name: dipicolinic acid +is_a: CHEBI:36112 ! pyridinedicarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:46838 +name: cyclic carbonate ester +is_a: CHEBI:46722 ! carbonate ester + +[Term] +id: CHEBI:46842 +name: sarcosinium +is_a: CHEBI:33719 ! alpha-amino-acid cation +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46845 +name: N-alkylpiperazine +is_a: CHEBI:26144 ! piperazines +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:46846 +name: piperazinone +is_a: CHEBI:26144 ! piperazines + +[Term] +id: CHEBI:46847 +name: N-iminopiperazine +is_a: CHEBI:26144 ! piperazines + +[Term] +id: CHEBI:46848 +name: N-arylpiperazine +is_a: CHEBI:26144 ! piperazines +is_a: CHEBI:33860 ! aromatic amine +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:46850 +name: organoammonium salt +is_a: CHEBI:35276 ! ammonium compound + +[Term] +id: CHEBI:46851 +name: N-(2-hydroxyethyl)piperazine +is_a: CHEBI:23981 ! ethanolamines +is_a: CHEBI:46845 ! N-alkylpiperazine + +[Term] +id: CHEBI:46853 +name: piperazinecarboxamide +is_a: CHEBI:26144 ! piperazines +is_a: CHEBI:29347 ! monocarboxylic acid amide + +[Term] +id: CHEBI:46854 +name: L-glutamo group +is_a: CHEBI:24321 ! glutamo group +is_a: CHEBI:33717 ! C-terminal proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:46855 +name: L-alpha-glutamyl group +is_a: CHEBI:22453 ! alpha-glutamyl group +is_a: CHEBI:33716 ! N-terminal proteinogenic amino-acid residue + +[Term] +id: CHEBI:46856 +name: 11-cis-retinoic acid +is_a: CHEBI:26536 ! retinoic acid + +[Term] +id: CHEBI:46858 +name: L-tyrosine residue +is_a: CHEBI:32789 ! tyrosine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:46860 +name: cinchomeronic acid +is_a: CHEBI:36112 ! pyridinedicarboxylic acid + +[Term] +id: CHEBI:46861 +name: cinchomeronate(2-) +is_a: CHEBI:36173 ! pyridinedicarboxylate + +[Term] +id: CHEBI:46862 +name: cinchomeronate(1-) +is_a: CHEBI:46827 ! carboxypyridinecarboxylate + +[Term] +id: CHEBI:46867 +name: indolyl carboxylic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:46874 +name: alpha-amino acid ester +is_a: CHEBI:46668 ! amino acid ester + +[Term] +id: CHEBI:46883 +name: carboxy group +is_a: CHEBI:33249 ! organyl group + +[Term] +id: CHEBI:46890 +name: silicon hydroxide +is_a: CHEBI:26677 ! silicon molecular entity + +[Term] +id: CHEBI:46891 +name: azetidinecarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:38777 ! azetidines + +[Term] +id: CHEBI:46895 +name: lipopeptide +is_a: CHEBI:16670 ! peptide +is_a: CHEBI:18059 ! lipid + +[Term] +id: CHEBI:46896 +name: diacyl lipopeptide +is_a: CHEBI:46895 ! lipopeptide + +[Term] +id: CHEBI:46898 +name: cholesteryl oleate +is_a: CHEBI:46900 ! cholesteryl octadec-9-enoate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:46900 +name: cholesteryl octadec-9-enoate +is_a: CHEBI:132001 ! cholesteryl octadecenoate + +[Term] +id: CHEBI:46903 +name: cholesteryl octadeca-9,12-dienoate +is_a: CHEBI:132002 ! cholesteryl octadecadienoate + +[Term] +id: CHEBI:46904 +name: oxalate(1-) +is_a: CHEBI:132952 ! oxalate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46905 +name: (R)-pantothenic acid +is_a: CHEBI:7916 ! pantothenic acid +relationship: has_role CHEBI:74530 ! antidote to curare poisoning +relationship: has_role CHEBI:75769 ! B vitamin +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:46911 +name: L-ornithinium(1+) +is_a: CHEBI:46912 ! ornithinium(1+) +is_a: CHEBI:62031 ! polar amino acid zwitterion + +[Term] +id: CHEBI:46912 +name: ornithinium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46913 +name: ornithinium(2+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:46914 +name: L-ornithinate +is_a: CHEBI:32964 ! ornithinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46915 +name: sarcosinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:46920 +name: N-methylpiperazine +is_a: CHEBI:46845 ! N-alkylpiperazine +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:46939 +name: indolyl carboxylate ester +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:46940 +name: indanes +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:46941 +name: oxane +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:46942 ! oxanes + +[Term] +id: CHEBI:46942 +name: oxanes +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:46951 +name: 3-(2,3-dihydroxyphenyl)propanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:46952 +name: oxazinane +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:46953 +name: alpha-D-galactoside +is_a: CHEBI:20961 ! D-galactoside + +[Term] +id: CHEBI:46954 +name: thiazinane +is_a: CHEBI:25693 ! organic heteromonocyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:46955 +name: anthracenes +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:51269 ! acenes + +[Term] +id: CHEBI:46957 +name: 3-(2-hydroxyphenyl)propanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:46959 +name: N-acylazetidine +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:38777 ! azetidines + +[Term] +id: CHEBI:46960 +name: dTMP(-) +is_a: CHEBI:15245 ! thymidine 5'-monophosphate + +[Term] +id: CHEBI:46961 +name: phytosphingosine +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35785 ! sphingoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:46963 +name: 2-aminooctadecene-1,3-diol +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:46964 +name: 2-aminooctadec-4-ene-1,3-diol +is_a: CHEBI:46963 ! 2-aminooctadecene-1,3-diol + +[Term] +id: CHEBI:46965 +name: (2R,3S)-2-aminooctadec-4-ene-1,3-diol +is_a: CHEBI:46964 ! 2-aminooctadec-4-ene-1,3-diol + +[Term] +id: CHEBI:46966 +name: 2-amino-1-hydroxyoctadecan-3-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:46967 +name: L-erythro-sphingosine +is_a: CHEBI:46965 ! (2R,3S)-2-aminooctadec-4-ene-1,3-diol + +[Term] +id: CHEBI:46968 +name: 2-aminooctadecane-1,3-diol +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:46969 +name: benzoxazine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:46970 +name: phytosphingosine 1-phosphate +is_a: CHEBI:77068 ! sphingoid 1-phosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:46971 +name: premnaspirodiene +is_a: CHEBI:33599 ! spiro compound +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:46976 +name: 1,4-thiazine +is_a: CHEBI:38326 ! thiazine + +[Term] +id: CHEBI:46978 +name: thiazinemonocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38326 ! thiazine + +[Term] +id: CHEBI:46979 +name: N-acetylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine + +[Term] +id: CHEBI:46981 +name: N-acetylsphingosine 1-phosphate +is_a: CHEBI:16197 ! N-acylsphingosine 1-phosphate + +[Term] +id: CHEBI:46987 +name: alpha-L-arabinopyranose +is_a: CHEBI:17535 ! L-arabinopyranose + +[Term] +id: CHEBI:46988 +name: 4-amino-4-deoxyarabinose +is_a: CHEBI:46989 ! pentosamine + +[Term] +id: CHEBI:46989 +name: pentosamine +is_a: CHEBI:60926 ! amino monosaccharide + +[Term] +id: CHEBI:46990 +name: 4-amino-4-deoxy-L-arabinose +is_a: CHEBI:46988 ! 4-amino-4-deoxyarabinose + +[Term] +id: CHEBI:46991 +name: 4-amino-4-deoxy-L-arabinopyranose +is_a: CHEBI:46990 ! 4-amino-4-deoxy-L-arabinose + +[Term] +id: CHEBI:46992 +name: 4-amino-4-deoxy-alpha-L-arabinopyranose +is_a: CHEBI:46991 ! 4-amino-4-deoxy-L-arabinopyranose + +[Term] +id: CHEBI:46993 +name: 4-amino-4-deoxy-beta-L-arabinopyranose +is_a: CHEBI:46991 ! 4-amino-4-deoxy-L-arabinopyranose + +[Term] +id: CHEBI:46994 +name: D-arabinopyranose +is_a: CHEBI:17108 ! D-arabinose + +[Term] +id: CHEBI:46995 +name: alpha-D-arabinopyranose +is_a: CHEBI:46994 ! D-arabinopyranose + +[Term] +id: CHEBI:46996 +name: beta-D-arabinopyranose +is_a: CHEBI:46994 ! D-arabinopyranose + +[Term] +id: CHEBI:46997 +name: L-ribose +is_a: CHEBI:33942 ! ribose + +[Term] +id: CHEBI:46998 +name: ribofuranose +is_a: CHEBI:33942 ! ribose +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:47000 +name: L-ribofuranose +is_a: CHEBI:46997 ! L-ribose +is_a: CHEBI:46998 ! ribofuranose + +[Term] +id: CHEBI:47002 +name: beta-D-ribose +is_a: CHEBI:47013 ! D-ribofuranose + +[Term] +id: CHEBI:47003 +name: leucine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:47004 +name: alpha-L-ribose +is_a: CHEBI:47000 ! L-ribofuranose + +[Term] +id: CHEBI:47005 +name: beta-L-ribose +is_a: CHEBI:47000 ! L-ribofuranose + +[Term] +id: CHEBI:47006 +name: D-ribopyranose +is_a: CHEBI:16988 ! D-ribose +is_a: CHEBI:47007 ! ribopyranose + +[Term] +id: CHEBI:47007 +name: ribopyranose +is_a: CHEBI:33942 ! ribose + +[Term] +id: CHEBI:47010 +name: L-ribopyranose +is_a: CHEBI:46997 ! L-ribose +is_a: CHEBI:47007 ! ribopyranose + +[Term] +id: CHEBI:47012 +name: beta-L-ribopyranose +is_a: CHEBI:47010 ! L-ribopyranose + +[Term] +id: CHEBI:47013 +name: D-ribofuranose +is_a: CHEBI:16988 ! D-ribose +is_a: CHEBI:46998 ! ribofuranose + +[Term] +id: CHEBI:47014 +name: aldehydo-D-ribose +is_a: CHEBI:16988 ! D-ribose +is_a: CHEBI:47024 ! aldehydo-ribose + +[Term] +id: CHEBI:47015 +name: aldehydo-L-ribose +is_a: CHEBI:46997 ! L-ribose +is_a: CHEBI:47024 ! aldehydo-ribose + +[Term] +id: CHEBI:47016 +name: tetrahydrofuranone +is_a: CHEBI:26912 ! oxolanes + +[Term] +id: CHEBI:47017 +name: tetrahydrofuranol +is_a: CHEBI:26912 ! oxolanes + +[Term] +id: CHEBI:47018 +name: monohydroxytetrahydrofuran +is_a: CHEBI:47017 ! tetrahydrofuranol + +[Term] +id: CHEBI:47019 +name: dihydroxytetrahydrofuran +is_a: CHEBI:47017 ! tetrahydrofuranol + +[Term] +id: CHEBI:47022 +name: tetrahydrofurandione +is_a: CHEBI:47016 ! tetrahydrofuranone + +[Term] +id: CHEBI:47024 +name: aldehydo-ribose +is_a: CHEBI:33942 ! ribose + +[Term] +id: CHEBI:47025 +name: UDP-4-amino-4-deoxy-beta-L-arabinopyranose +is_a: CHEBI:35262 ! UDP-amino sugar +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:47027 +name: UDP-4-deoxy-4-formamido-beta-L-arabinopyranose +is_a: CHEBI:35262 ! UDP-amino sugar +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:47028 +name: UDP-beta-L-threo-pentopyranos-4-ulose +is_a: CHEBI:17297 ! UDP-sugar +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:47031 +name: LL-2,6-diaminopimelate(2-) +is_a: CHEBI:23671 ! 2,6-diaminopimelate(2-) + +[Term] +id: CHEBI:47037 +name: cyclic purine dinucleotide +is_a: CHEBI:36982 ! cyclic purine nucleotide + +[Term] +id: CHEBI:47039 +name: 4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:47040 +name: lipid A +is_a: CHEBI:25051 ! lipid As + +[Term] +id: CHEBI:47041 +name: tetrahydroxytetrahydrofuran +is_a: CHEBI:47017 ! tetrahydrofuranol + +[Term] +id: CHEBI:47042 +name: hydroxycalciol +is_a: CHEBI:36853 ! hydroxy seco-steroid + +[Term] +id: CHEBI:4705 +name: double-stranded DNA +is_a: CHEBI:16991 ! deoxyribonucleic acid + +[Term] +id: CHEBI:4712 +name: doxercalciferol +is_a: CHEBI:27300 ! vitamin D +is_a: CHEBI:36853 ! hydroxy seco-steroid +relationship: has_role CHEBI:50188 ! provitamin +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:71212 ! prohormone + +[Term] +id: CHEBI:47133 +name: 5'-chloro-5'-deoxyadenosine +is_a: CHEBI:22260 ! adenosines + +[Term] +id: CHEBI:47136 +name: pentachlorobenzene +is_a: CHEBI:83390 ! pentachlorobenzenes +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:47214 +name: (23S)-23,25-dihydroxycalciol +is_a: CHEBI:47042 ! hydroxycalciol + +[Term] +id: CHEBI:47266 +name: hydrogen bromide +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:18140 ! hydrogen halide +is_a: CHEBI:37176 ! mononuclear parent hydride +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:47291 +name: 3-chloro-D-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:47356 +name: 7-chloro-L-tryptophan +is_a: CHEBI:47994 ! L-tryptophan derivative +is_a: CHEBI:55354 ! 7-chlorotryptophan +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:47395 +name: devancoaminyl vancomycin +is_a: CHEBI:24396 ! glycopeptide +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37407 ! cyclic ether +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:4743 +name: ecgonine +is_a: CHEBI:37332 ! tropane alkaloid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:4746 +name: echinenone +is_a: CHEBI:35310 ! carotenone +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:47537 +name: L-glucaric acid +is_a: CHEBI:17301 ! glucaric acid + +[Term] +id: CHEBI:47571 +name: N-acetyl-alpha-D-muramic acid +is_a: CHEBI:21615 ! N-acetyl-D-muramic acid + +[Term] +id: CHEBI:47600 +name: purvalanol A +is_a: CHEBI:38934 ! purvalanol + +[Term] +id: CHEBI:47622 +name: acetate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:4767 +name: Elastin +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:47693 +name: keto-D-tagatose +is_a: CHEBI:16443 ! D-tagatose + +[Term] +id: CHEBI:47724 +name: vancomycin aglycone +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37407 ! cyclic ether +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:47762 +name: phosphoethanolamine-Kdo2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:47763 +name: beta-L-Ara4N-lipid A +is_a: CHEBI:25051 ! lipid As +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:47771 +name: beta-tocopherol +is_a: CHEBI:27013 ! tocopherol +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component + +[Term] +id: CHEBI:47772 +name: delta-tocopherol +is_a: CHEBI:27013 ! tocopherol +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77962 ! food antioxidant + +[Term] +id: CHEBI:47773 +name: very-low-density lipoprotein cholesterol +is_a: CHEBI:50404 ! lipoprotein cholesterol + +[Term] +id: CHEBI:47774 +name: low-density lipoprotein cholesterol +is_a: CHEBI:50404 ! lipoprotein cholesterol + +[Term] +id: CHEBI:47775 +name: high-density lipoprotein cholesterol +is_a: CHEBI:50404 ! lipoprotein cholesterol + +[Term] +id: CHEBI:47776 +name: very-low-density lipoprotein triglyceride +is_a: CHEBI:17855 ! triglyceride + +[Term] +id: CHEBI:47777 +name: 1,3-diglyceride +is_a: CHEBI:18035 ! diglyceride + +[Term] +id: CHEBI:47778 +name: glyceride +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid + +[Term] +id: CHEBI:47779 +name: aminoglycoside +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:47781 +name: desipramine +is_a: CHEBI:47804 ! dibenzoazepine +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor +relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist +relationship: has_role CHEBI:37955 ! H1-receptor antagonist +relationship: has_role CHEBI:48873 ! cholinergic antagonist +relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor +relationship: has_role CHEBI:76811 ! EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor +relationship: has_role CHEBI:88188 ! drug allergen + +[Term] +id: CHEBI:47783 +name: cyclopentafuran +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:47784 +name: nucleotide conjugate +is_a: CHEBI:61120 ! nucleobase-containing molecular entity + +[Term] +id: CHEBI:47786 +name: 16-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:47787 +name: 11-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:47788 +name: 3-oxo steroid +is_a: CHEBI:35789 ! oxo steroid +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:47789 +name: 7-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:47790 +name: furofuran +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:47791 +name: phenylacetaldehyde oxime +is_a: CHEBI:22307 ! aldoxime + +[Term] +id: CHEBI:47793 +name: (E)-phenylacetaldehyde oxime +is_a: CHEBI:47791 ! phenylacetaldehyde oxime + +[Term] +id: CHEBI:47794 +name: dihydrocamalexic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38418 ! 1,3-thiazoles +is_a: CHEBI:83991 ! imidothioate + +[Term] +id: CHEBI:47795 +name: (R)-dihydrocamalexic acid +is_a: CHEBI:47794 ! dihydrocamalexic acid + +[Term] +id: CHEBI:47796 +name: (S)-dihydrocamalexic acid +is_a: CHEBI:47794 ! dihydrocamalexic acid + +[Term] +id: CHEBI:47798 +name: xi-progoitrin(1-) +is_a: CHEBI:62663 ! hydroxy-alkenylglucosinolate + +[Term] +id: CHEBI:47799 +name: calcitetrol +is_a: CHEBI:47042 ! hydroxycalciol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:47804 +name: dibenzoazepine +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:47805 +name: 25-hydroxy-24-oxocalciol +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:47806 ! oxocalciol + +[Term] +id: CHEBI:47806 +name: oxocalciol +is_a: CHEBI:47836 ! oxo seco-steroid + +[Term] +id: CHEBI:47811 +name: penamcarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:35992 ! penams + +[Term] +id: CHEBI:47812 +name: (1S)-1,25-dihydroxy-24-oxocalciol +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:47806 ! oxocalciol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:47813 +name: (1S)-1,23,25-trihydroxy-24-oxocalciol +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:47806 ! oxocalciol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:47818 +name: (1S)-1,23-dihydroxy-24,25,26,27-tetranorcalciol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:47806 ! oxocalciol + +[Term] +id: CHEBI:47819 +name: N(5)-[amino(hydroxyimino)methyl]-L-ornithine +is_a: CHEBI:28538 ! N(omega)-hydroxy-L-arginine +is_a: CHEBI:47826 ! N(5)-[amino(hydroxyimino)methyl]ornithine + +[Term] +id: CHEBI:47820 +name: (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:47806 ! oxocalciol + +[Term] +id: CHEBI:47823 +name: N(omega)-hydroxyarginine +is_a: CHEBI:47830 ! hydroxyarginine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:47826 +name: N(5)-[amino(hydroxyimino)methyl]ornithine +is_a: CHEBI:47823 ! N(omega)-hydroxyarginine + +[Term] +id: CHEBI:47827 +name: N(5)-[(hydroxyamino)(imino)methyl]ornithine +is_a: CHEBI:47823 ! N(omega)-hydroxyarginine + +[Term] +id: CHEBI:47828 +name: calcitroic acid +is_a: CHEBI:47042 ! hydroxycalciol + +[Term] +id: CHEBI:47830 +name: hydroxyarginine +is_a: CHEBI:24662 ! hydroxy-amino acid + +[Term] +id: CHEBI:47833 +name: methionine sulfoximine +is_a: CHEBI:25230 ! methionine derivative +is_a: CHEBI:38084 ! sulfoximide +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:47836 +name: oxo seco-steroid +is_a: CHEBI:35788 ! seco-steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:47843 +name: dithiane +is_a: CHEBI:51652 ! dithianes + +[Term] +id: CHEBI:47844 +name: 1,2-dithiane +is_a: CHEBI:47843 ! dithiane + +[Term] +id: CHEBI:47857 +name: ureas +is_a: CHEBI:33256 ! primary amide + +[Term] +id: CHEBI:47858 +name: 1-piperideine +is_a: CHEBI:26145 ! piperideine + +[Term] +id: CHEBI:47867 +name: indicator +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:47868 +name: photosensitizing agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:47869 +name: thioglycolate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:47870 +name: (methylthio)acetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:86315 ! methyl sulfide +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:47871 +name: mercaptopropanoic acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid + +[Term] +id: CHEBI:47877 +name: hexose 6-phosphate +is_a: CHEBI:47878 ! hexose phosphate + +[Term] +id: CHEBI:47878 +name: hexose phosphate +is_a: CHEBI:33447 ! phospho sugar +is_a: CHEBI:63385 ! hexose derivative + +[Term] +id: CHEBI:47879 +name: 3-hydroxymethylcephalosporin +is_a: CHEBI:23066 ! cephalosporin + +[Term] +id: CHEBI:47880 +name: steroid ester +is_a: CHEBI:35341 ! steroid +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:47881 +name: 3-oxo monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:47882 +name: cyclic polypyrrole +is_a: CHEBI:38077 ! polypyrrole + +[Term] +id: CHEBI:47885 +name: dinucleotide +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:47891 +name: steroid acid +is_a: CHEBI:35341 ! steroid +is_a: CHEBI:64709 ! organic acid + +[Term] +id: CHEBI:47892 +name: 4'-O-beta-D-glucosyl-cis-p-coumarate +is_a: CHEBI:47893 ! 4-O-beta-D-glucosyl-4-coumarate + +[Term] +id: CHEBI:47893 +name: 4-O-beta-D-glucosyl-4-coumarate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:47896 +name: pyridine nucleoside +is_a: CHEBI:33838 ! nucleoside +is_a: CHEBI:36979 ! N-glycosylpyridine + +[Term] +id: CHEBI:47898 +name: 4'-epidoxorubicin +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor + +[Term] +id: CHEBI:47899 +name: red chlorophyll catabolite +is_a: CHEBI:36735 ! biladienes + +[Term] +id: CHEBI:47901 +name: alkanesulfonic acid +is_a: CHEBI:33551 ! organosulfonic acid +relationship: has_part CHEBI:22323 ! alkyl group + +[Term] +id: CHEBI:47902 +name: idopyranuronic acid +is_a: CHEBI:24769 ! iduronic acid + +[Term] +id: CHEBI:47903 +name: L-idopyranuronic acid +is_a: CHEBI:47902 ! idopyranuronic acid +is_a: CHEBI:85187 ! L-iduronic acid + +[Term] +id: CHEBI:47904 +name: 4-maleylacetoacetic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:47905 +name: coniferyl acetate +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:64292 ! coniferyl ester + +[Term] +id: CHEBI:47907 +name: 3-oxo-Delta(5)-steroid +is_a: CHEBI:47788 ! 3-oxo steroid + +[Term] +id: CHEBI:47908 +name: alkanethiol +is_a: CHEBI:29256 ! thiol + +[Term] +id: CHEBI:47909 +name: 3-oxo-Delta(4) steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:51689 ! enone +relationship: has_part CHEBI:136849 ! 3-oxo-Delta(4)-steroid group + +[Term] +id: CHEBI:47910 +name: S-substituted L-cysteine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:47911 +name: S-substituted N-acetyl-L-cysteine +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:47912 +name: S-organyl-L-cysteine +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:47910 ! S-substituted L-cysteine + +[Term] +id: CHEBI:47913 +name: S-hydrocarbyl-L-cysteine +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:47912 ! S-organyl-L-cysteine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:47914 +name: S-prenyl-L-cysteine +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:47913 ! S-hydrocarbyl-L-cysteine +is_a: CHEBI:60941 ! prenylcysteine + +[Term] +id: CHEBI:47915 +name: S-alkyl-L-cysteine +is_a: CHEBI:47913 ! S-hydrocarbyl-L-cysteine + +[Term] +id: CHEBI:47916 +name: flavonoid +is_a: CHEBI:72544 ! flavonoids + +[Term] +id: CHEBI:47917 +name: 1-ribosylbenzimidazole +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:22715 ! benzimidazoles + +[Term] +id: CHEBI:47921 +name: cis-2-coumarate +is_a: CHEBI:11594 ! 2-coumarate + +[Term] +id: CHEBI:47923 +name: tripeptide +is_a: CHEBI:25676 ! oligopeptide + +[Term] +id: CHEBI:47925 +name: 3-coumaric acid +is_a: CHEBI:23401 ! coumaric acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:47927 +name: 3-coumarate +is_a: CHEBI:23399 ! coumarate + +[Term] +id: CHEBI:47928 +name: trans-3-coumarate +is_a: CHEBI:47927 ! 3-coumarate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:47931 +name: beta-D-glucosyl-(1->4)-D-mannopyranose +is_a: CHEBI:47933 ! D-glucopyranosyl-(1->4)-D-mannopyranose + +[Term] +id: CHEBI:47932 +name: D-glucosyl-(1->4)-D-mannose +is_a: CHEBI:21010 ! D-glucosyl-D-mannose + +[Term] +id: CHEBI:47933 +name: D-glucopyranosyl-(1->4)-D-mannopyranose +is_a: CHEBI:47932 ! D-glucosyl-(1->4)-D-mannose + +[Term] +id: CHEBI:47940 +name: 4,6-dioxohept-2-enedioic acid +is_a: CHEBI:24522 ! heptenedioic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:67265 ! beta-diketone + +[Term] +id: CHEBI:47941 +name: 4,6-dioxohept-2-enedioate +is_a: CHEBI:24521 ! heptenedioate +is_a: CHEBI:36147 ! oxo dicarboxylate + +[Term] +id: CHEBI:47942 +name: pantetheine 4'-phosphate(2-) +is_a: CHEBI:67051 ! phosphopantetheine anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:47947 +name: keto-D-tagatose 6-phosphate +is_a: CHEBI:17837 ! D-tagatose 6-phosphate + +[Term] +id: CHEBI:47950 +name: keto-D-fructuronic acid +is_a: CHEBI:20937 ! D-fructuronic acid + +[Term] +id: CHEBI:47951 +name: primary fluorescent chlorophyll catabolite +is_a: CHEBI:36736 ! bilenes + +[Term] +id: CHEBI:47952 +name: D-glucopyranuronic acid +is_a: CHEBI:4178 ! D-glucuronic acid +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:47954 +name: beta-D-galacturonic acid +is_a: CHEBI:4153 ! D-galactopyranuronic acid + +[Term] +id: CHEBI:47955 +name: (2R)-phycocyanobilin +is_a: CHEBI:48863 ! phycocyanobilin + +[Term] +id: CHEBI:47956 +name: thiocarboxamide +is_a: CHEBI:33256 ! primary amide + +[Term] +id: CHEBI:47957 +name: (3E)-phycocyanobilin +is_a: CHEBI:47955 ! (2R)-phycocyanobilin + +[Term] +id: CHEBI:47958 +name: nicotinic acetylcholine receptor agonist +is_a: CHEBI:38324 ! cholinergic agonist + +[Term] +id: CHEBI:47959 +name: 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:47960 +name: (2E,4Z)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid +is_a: CHEBI:47959 ! 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid + +[Term] +id: CHEBI:47961 +name: (2E,4Z)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-) +is_a: CHEBI:12113 ! 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-) + +[Term] +id: CHEBI:47962 +name: aldehydo-D-galacturonic acid +is_a: CHEBI:18024 ! D-galacturonic acid + +[Term] +id: CHEBI:47964 +name: aurone +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:72576 ! aurones + +[Term] +id: CHEBI:47965 +name: N-acetylmuramic acid +is_a: CHEBI:25432 ! muramic acids + +[Term] +id: CHEBI:47967 +name: N-acetyl-beta-muramic acid 6-phosphate +is_a: CHEBI:47968 ! N-acetylmuramic acid 6-phosphate + +[Term] +id: CHEBI:47968 +name: N-acetylmuramic acid 6-phosphate +is_a: CHEBI:25432 ! muramic acids +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:47977 +name: 2-amino-2-deoxy-D-glucopyranose +is_a: CHEBI:17315 ! D-glucosamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:47978 +name: N-acetylmuramate +is_a: CHEBI:33985 ! muramates + +[Term] +id: CHEBI:47979 +name: N-acetyl-alpha-muramate +is_a: CHEBI:28881 ! 2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose + +[Term] +id: CHEBI:47980 +name: threo-3-methyl-L-aspartic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:47982 +name: pantetheine 4'-phosphate group +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:47985 +name: enol ether +is_a: CHEBI:25698 ! ether +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:47987 +name: 2-amino-2-deoxy-D-glucopyranose 6-phosphate +is_a: CHEBI:12962 ! D-glucosamine 6-phosphate + +[Term] +id: CHEBI:47989 +name: enamine +is_a: CHEBI:32952 ! amine +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:47990 +name: N-hydroxy-L-phenylalanine +is_a: CHEBI:84144 ! L-phenylalanine derivative + +[Term] +id: CHEBI:47991 +name: N,N-dihydroxy-L-phenylalanine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid +is_a: CHEBI:84144 ! L-phenylalanine derivative + +[Term] +id: CHEBI:47992 +name: N-hydroxy-L-tryptophan +is_a: CHEBI:47995 ! hydroxy-L-tryptophan + +[Term] +id: CHEBI:47993 +name: N,N-dihydroxy-L-tryptophan +is_a: CHEBI:47996 ! dihydroxy-L-tryptophan +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid + +[Term] +id: CHEBI:47994 +name: L-tryptophan derivative +is_a: CHEBI:27164 ! tryptophan derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative + +[Term] +id: CHEBI:47995 +name: hydroxy-L-tryptophan +is_a: CHEBI:47994 ! L-tryptophan derivative +is_a: CHEBI:84194 ! hydroxytryptophan + +[Term] +id: CHEBI:47996 +name: dihydroxy-L-tryptophan +is_a: CHEBI:47994 ! L-tryptophan derivative + +[Term] +id: CHEBI:47997 +name: D-tryptophan derivative +is_a: CHEBI:27164 ! tryptophan derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative + +[Term] +id: CHEBI:48000 +name: 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole +is_a: CHEBI:37292 ! 1-(phosphoribosyl)imidazole +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:48001 +name: protein synthesis inhibitor +is_a: CHEBI:76932 ! pathway inhibitor + +[Term] +id: CHEBI:48005 +name: gamma-L-glutamylputrescine +is_a: CHEBI:24317 ! L-glutamine derivative +is_a: CHEBI:48006 ! gamma-glutamylputrescine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:48006 +name: gamma-glutamylputrescine +is_a: CHEBI:70813 ! glutamine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:48007 +name: N-[(E)-4-aminobutylidene]propane-1,3-diamine +is_a: CHEBI:24783 ! imine + +[Term] +id: CHEBI:48024 +name: 3'-hydroxyflavanones +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:48025 +name: 3',5'-dihydroxyflavanone +is_a: CHEBI:38749 ! dihydroxyflavanone +is_a: CHEBI:48024 ! 3'-hydroxyflavanones + +[Term] +id: CHEBI:48029 +name: 4-methyleneglutamic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:48030 +name: tetrapeptide +is_a: CHEBI:25676 ! oligopeptide + +[Term] +id: CHEBI:48031 +name: 4-methylene-L-glutamic acid +is_a: CHEBI:48029 ! 4-methyleneglutamic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:48032 +name: 4-methylene-D-glutamic acid +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:48029 ! 4-methyleneglutamic acid + +[Term] +id: CHEBI:48033 +name: cobyrinic acid a,c diamide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:48034 +name: cob(III)yrinic acid a,c diamide +is_a: CHEBI:48033 ! cobyrinic acid a,c diamide + +[Term] +id: CHEBI:48039 +name: dihydroflavonols +is_a: CHEBI:24697 ! hydroxyflavanone + +[Term] +id: CHEBI:48040 +name: 2,3-dihydroflavon-3-ol +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:48039 ! dihydroflavonols + +[Term] +id: CHEBI:48041 +name: microcystin +is_a: CHEBI:24533 ! heterodetic cyclic peptide +relationship: has_role CHEBI:50908 ! hepatotoxic agent +relationship: has_role CHEBI:88048 ! cyanotoxin + +[Term] +id: CHEBI:48043 +name: (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid +is_a: CHEBI:18402 ! 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid + +[Term] +id: CHEBI:48052 +name: 2,3-dihydrodipicolinic acid +is_a: CHEBI:23741 ! dihydrodipicolinic acid + +[Term] +id: CHEBI:48058 +name: buten-2-one +is_a: CHEBI:51689 ! enone +is_a: CHEBI:51867 ! methyl ketone + +[Term] +id: CHEBI:4806 +name: (-)-epigallocatechin 3-gallate +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37576 ! gallate ester +is_a: CHEBI:38672 ! flavans +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:63962 ! Hsp90 inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:48066 +name: D-mannopyranose 6-phosphate +is_a: CHEBI:17369 ! D-mannose 6-phosphate +is_a: CHEBI:61667 ! D-hexopyranose 6-phosphate + +[Term] +id: CHEBI:48068 +name: (S)-5-oxo-2,5-dihydro-2-furylacetic acid +is_a: CHEBI:18080 ! 5-oxo-2,5-dihydro-2-furylacetic acid + +[Term] +id: CHEBI:48069 +name: (R)-5-oxo-2,5-dihydro-2-furylacetic acid +is_a: CHEBI:18080 ! 5-oxo-2,5-dihydro-2-furylacetic acid + +[Term] +id: CHEBI:48070 +name: 12-oxo steroid +is_a: CHEBI:35789 ! oxo steroid + +[Term] +id: CHEBI:48080 +name: brefeldin A +is_a: CHEBI:25105 ! macrolide antibiotic +relationship: has_role CHEBI:76964 ! Penicillium metabolite + +[Term] +id: CHEBI:48081 +name: bacteriocin +is_a: CHEBI:25903 ! peptide antibiotic + +[Term] +id: CHEBI:48092 +name: L-xylonic acid +is_a: CHEBI:33828 ! xylonic acid + +[Term] +id: CHEBI:48093 +name: D-xylonic acid +is_a: CHEBI:33828 ! xylonic acid + +[Term] +id: CHEBI:48094 +name: D-aspartic acid residue +is_a: CHEBI:32470 ! aspartic acid residue + +[Term] +id: CHEBI:48095 +name: keto-D-fructose +is_a: CHEBI:15824 ! D-fructose +is_a: CHEBI:37723 ! keto-fructose + +[Term] +id: CHEBI:48096 +name: D-glutamic acid residue +is_a: CHEBI:32483 ! glutamic acid residue + +[Term] +id: CHEBI:48097 +name: D-glutamine residue +is_a: CHEBI:32677 ! glutamine residue + +[Term] +id: CHEBI:48107 +name: nitric acid +is_a: CHEBI:33455 ! nitrogen oxoacid +relationship: has_role CHEBI:33893 ! reagent +relationship: has_role CHEBI:48356 ! protic solvent + +[Term] +id: CHEBI:48109 +name: nitrobenzenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:35716 ! C-nitro compound + +[Term] +id: CHEBI:48110 +name: trinitrobenzene +is_a: CHEBI:48109 ! nitrobenzenes + +[Term] +id: CHEBI:48113 +name: 1,3,5-trinitrobenzene +is_a: CHEBI:48110 ! trinitrobenzene +relationship: has_role CHEBI:63490 ! explosive + +[Term] +id: CHEBI:48116 +name: nucleotide-amino acid +is_a: CHEBI:36976 ! nucleotide +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:48117 +name: 1-glycosylimidazole +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:24780 ! imidazoles + +[Term] +id: CHEBI:48120 +name: anthracycline +is_a: CHEBI:26188 ! polyketide +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:48121 +name: polyene +is_a: CHEBI:33641 ! olefin + +[Term] +id: CHEBI:48122 +name: hydrogensilicate(3-) +is_a: CHEBI:48123 ! silicate ion +is_a: CHEBI:79387 ! trivalent inorganic anion + +[Term] +id: CHEBI:48123 +name: silicate ion +is_a: CHEBI:37191 ! silicon oxoanion + +[Term] +id: CHEBI:48124 +name: dihydrogensilicate(2-) +is_a: CHEBI:48123 ! silicate ion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:48125 +name: trihydrogensilicate(1-) +is_a: CHEBI:48123 ! silicate ion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:48129 +name: benzoisochromanequinone +is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:36141 ! quinone + +[Term] +id: CHEBI:48131 +name: nonanedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50177 ! dermatologic drug +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:48132 +name: tetracenomycin +is_a: CHEBI:26188 ! polyketide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:48136 +name: xanthosines +is_a: CHEBI:26399 ! purine ribonucleoside + +[Term] +id: CHEBI:48144 +name: cyclosiloxane +is_a: CHEBI:26677 ! silicon molecular entity +is_a: CHEBI:5686 ! heterocyclic compound + +[Term] +id: CHEBI:48145 +name: cyclotetrasiloxane +is_a: CHEBI:48144 ! cyclosiloxane + +[Term] +id: CHEBI:48153 +name: D-erythrose 4-phosphate +is_a: CHEBI:23956 ! erythrose phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:48154 +name: sulfur oxide +is_a: CHEBI:24836 ! inorganic oxide +is_a: CHEBI:26835 ! sulfur molecular entity + +[Term] +id: CHEBI:48206 +name: fucopyranose +is_a: CHEBI:33984 ! fucose + +[Term] +id: CHEBI:48209 +name: aflatoxin B2 +is_a: CHEBI:22271 ! aflatoxin + +[Term] +id: CHEBI:48210 +name: cyclopentafurofurochromene +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:48218 +name: antiseptic drug +is_a: CHEBI:35441 ! antiinfective agent + +[Term] +id: CHEBI:48219 +name: disinfectant +is_a: CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:48230 +name: diphthine residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:48249 +name: 1r,3c,4t-p-menthane-3,8-diol +is_a: CHEBI:48250 ! p-menthane-3,8-diol + +[Term] +id: CHEBI:48250 +name: p-menthane-3,8-diol +is_a: CHEBI:25186 ! p-menthane monoterpenoid + +[Term] +id: CHEBI:48251 +name: 1alpha,3alpha,4beta-p-menthane-3,8-diol +is_a: CHEBI:48249 ! 1r,3c,4t-p-menthane-3,8-diol + +[Term] +id: CHEBI:48262 +name: D-erythrulose 1-phosphate +is_a: CHEBI:14216 ! erythrulose 1-phosphate + +[Term] +id: CHEBI:48274 +name: tryptamine alkaloid +is_a: CHEBI:27162 ! tryptamines +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:48278 +name: serotonergic drug +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:48279 +name: serotonergic antagonist +is_a: CHEBI:48278 ! serotonergic drug + +[Term] +id: CHEBI:4828 +name: ergothioneine +is_a: CHEBI:22860 ! amino-acid betaine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:38161 ! chelator +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:48289 +name: 2-O-sulfolactic acid +is_a: CHEBI:38024 ! carboxyalkyl sulfate + +[Term] +id: CHEBI:48290 +name: (R)-2-O-sulfolactic acid +is_a: CHEBI:48289 ! 2-O-sulfolactic acid + +[Term] +id: CHEBI:48291 +name: (R)-3-sulfolactic acid +is_a: CHEBI:38023 ! 3-sulfolactic acid + +[Term] +id: CHEBI:48299 +name: butane-1,2,3,4-tetrol +is_a: CHEBI:33729 ! tetritol + +[Term] +id: CHEBI:48300 +name: D-threitol +is_a: CHEBI:26981 ! threitol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:48305 +name: 2-aminobut-2-enoic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:48306 +name: 2-aminobut-2-enoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:48307 +name: L-apiitol +is_a: CHEBI:48310 ! apiitol + +[Term] +id: CHEBI:48309 +name: N-formyl-L-glutamic acid +is_a: CHEBI:21650 ! N-acyl-L-glutamic acid +is_a: CHEBI:50759 ! N-formyl amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:48310 +name: apiitol +is_a: CHEBI:63435 ! tetritol derivative + +[Term] +id: CHEBI:48313 +name: triphosphate(1-) +is_a: CHEBI:15266 ! triphosphate ion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:48314 +name: triphosphate(2-) +is_a: CHEBI:15266 ! triphosphate ion +is_a: CHEBI:79388 ! divalent inorganic anion + +[Term] +id: CHEBI:48315 +name: triphosphate(3-) +is_a: CHEBI:15266 ! triphosphate ion + +[Term] +id: CHEBI:48316 +name: triphosphate(4-) +is_a: CHEBI:15266 ! triphosphate ion + +[Term] +id: CHEBI:48318 +name: fragrance +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:48337 +name: pyrrolopyrazine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:48343 +name: disulfide +is_a: CHEBI:26835 ! sulfur molecular entity + +[Term] +id: CHEBI:48345 +name: pyrazinecarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:38314 ! pyrazines + +[Term] +id: CHEBI:48353 +name: serine proteinase inhibitor +is_a: CHEBI:37670 ! protease inhibitor +is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor + +[Term] +id: CHEBI:48354 +name: polar solvent +is_a: CHEBI:46787 ! solvent + +[Term] +id: CHEBI:48355 +name: non-polar solvent +is_a: CHEBI:46787 ! solvent + +[Term] +id: CHEBI:48356 +name: protic solvent +is_a: CHEBI:39141 ! Bronsted acid +is_a: CHEBI:48354 ! polar solvent + +[Term] +id: CHEBI:48357 +name: aprotic solvent +is_a: CHEBI:46787 ! solvent + +[Term] +id: CHEBI:48358 +name: polar aprotic solvent +is_a: CHEBI:48354 ! polar solvent +is_a: CHEBI:48357 ! aprotic solvent + +[Term] +id: CHEBI:48359 +name: protophilic solvent +is_a: CHEBI:39142 ! Bronsted base +is_a: CHEBI:48354 ! polar solvent + +[Term] +id: CHEBI:48360 +name: amphiprotic solvent +is_a: CHEBI:48356 ! protic solvent +is_a: CHEBI:48359 ! protophilic solvent + +[Term] +id: CHEBI:48361 +name: butene +is_a: CHEBI:138675 ! gas molecular entity +is_a: CHEBI:32878 ! alkene + +[Term] +id: CHEBI:48362 +name: but-1-ene +is_a: CHEBI:48361 ! butene + +[Term] +id: CHEBI:48376 +name: carbamimidic acid +is_a: CHEBI:48379 ! isourea +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:48377 +name: imidic acid +is_a: CHEBI:33241 ! oxoacid derivative +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:48378 +name: carboximidic acid +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:48377 ! imidic acid + +[Term] +id: CHEBI:48379 +name: isourea +is_a: CHEBI:48378 ! carboximidic acid + +[Term] +id: CHEBI:48396 +name: 7(1)-hydroxychlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide + +[Term] +id: CHEBI:48398 +name: pyropheophorbide a +is_a: CHEBI:38254 ! pheophorbide + +[Term] +id: CHEBI:48399 +name: 13(2)-carboxypyropheophorbide a +is_a: CHEBI:38254 ! pheophorbide + +[Term] +id: CHEBI:48400 +name: 3-(3,4-dihydroxyphenyl)propanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:48402 +name: UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronic acid +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:48403 +name: UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:48404 +name: UDP-alpha-D-mannuronic acid +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:48405 +name: 1D-myo-inositol 1,2,3,5,6-pentakisphosphate +is_a: CHEBI:25447 ! myo-inositol pentakisphosphate + +[Term] +id: CHEBI:48407 +name: antiparkinson drug +is_a: CHEBI:66956 ! antidyskinesia agent + +[Term] +id: CHEBI:48420 +name: biphenylyltetrazole +is_a: CHEBI:22888 ! biphenyls +is_a: CHEBI:35689 ! tetrazoles + +[Term] +id: CHEBI:48422 +name: angiogenesis inhibitor +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:48423 +name: 3-hydroxy-L-aspartic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83978 ! L-aspartic acid derivative +is_a: CHEBI:83981 ! 3-hydroxyaspartic acid + +[Term] +id: CHEBI:48427 +name: N-formimidoyl-L-aspartic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +is_a: CHEBI:83978 ! L-aspartic acid derivative +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:48429 +name: N-formyl-L-aspartic acid +is_a: CHEBI:21647 ! N-acyl-L-aspartic acid +is_a: CHEBI:50759 ! N-formyl amino acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:48430 +name: 4-methyl-2-oxopentanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:48431 +name: formimidic acid +is_a: CHEBI:48378 ! carboximidic acid +is_a: CHEBI:64708 ! one-carbon compound + +[Term] +id: CHEBI:48432 +name: angiotensin II +is_a: CHEBI:48433 ! angiotensin +relationship: has_role CHEBI:50514 ! vasoconstrictor agent + +[Term] +id: CHEBI:48433 +name: angiotensin +is_a: CHEBI:25905 ! peptide hormone + +[Term] +id: CHEBI:48436 +name: thiophenecarboxylic acid +is_a: CHEBI:26961 ! thiophenes +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:48455 +name: 2-demethylmenaquinone-8 +is_a: CHEBI:28192 ! 2-demethylmenaquinone + +[Term] +id: CHEBI:48462 +name: 5-deoxy-alpha-D-ribose 1-phosphate +is_a: CHEBI:20568 ! 5-deoxyribose phosphate + +[Term] +id: CHEBI:48467 +name: (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid +is_a: CHEBI:16577 ! 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid + +[Term] +id: CHEBI:48470 +name: amidobenzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:29347 ! monocarboxylic acid amide + +[Term] +id: CHEBI:48474 +name: (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:15494 ! 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA + +[Term] +id: CHEBI:48513 +name: carbazoles +is_a: CHEBI:39205 ! dibenzopyrrole + +[Term] +id: CHEBI:48517 +name: 7H-xanthine +is_a: CHEBI:15318 ! xanthine + +[Term] +id: CHEBI:48526 +name: hydratropic acid +is_a: CHEBI:16333 ! 2-arylpropionic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:48527 +name: (S)-hydratropic acid +is_a: CHEBI:48526 ! hydratropic acid + +[Term] +id: CHEBI:48529 +name: cob(I)inamide +is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide + +[Term] +id: CHEBI:48536 +name: amidopyrimidine +is_a: CHEBI:39447 ! pyrimidines +is_a: CHEBI:62733 ! aromatic amide + +[Term] +id: CHEBI:48539 +name: alpha-adrenergic drug +is_a: CHEBI:37962 ! adrenergic agent + +[Term] +id: CHEBI:48540 +name: beta-adrenergic drug +is_a: CHEBI:37962 ! adrenergic agent + +[Term] +id: CHEBI:48542 +name: deca-2,4,6,8-tetraenedioic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid + +[Term] +id: CHEBI:48544 +name: methanesulfonates +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:48545 +name: pentapeptide +is_a: CHEBI:25676 ! oligopeptide + +[Term] +id: CHEBI:48550 +name: EC 1.1.1.21 (aldehyde reductase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + +[Term] +id: CHEBI:48551 +name: guanidino group +is_a: CHEBI:33456 ! organoheteryl group + +[Term] +id: CHEBI:48560 +name: dopaminergic agent +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:48561 +name: dopaminergic antagonist +is_a: CHEBI:48560 ! dopaminergic agent + +[Term] +id: CHEBI:48563 +name: methylsulfanyl group +is_a: CHEBI:33456 ! organoheteryl group + +[Term] +id: CHEBI:48578 +name: radical scavenger +is_a: CHEBI:22586 ! antioxidant + +[Term] +id: CHEBI:48582 +name: ADP-D-ribose 1'',2''-cyclic phosphate +is_a: CHEBI:35159 ! ribose monophosphate + +[Term] +id: CHEBI:48584 +name: ADP-D-ribose 1''-phosphate +is_a: CHEBI:35159 ! ribose monophosphate + +[Term] +id: CHEBI:48585 +name: heteroarylpiperidine +is_a: CHEBI:26151 ! piperidines + +[Term] +id: CHEBI:48589 +name: piperidones +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:48590 +name: hydroxypiperidine +is_a: CHEBI:26151 ! piperidines + +[Term] +id: CHEBI:48591 +name: N-acylpiperidine +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:32988 ! amide + +[Term] +id: CHEBI:48592 +name: piperidinecarboxamide +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:29347 ! monocarboxylic acid amide + +[Term] +id: CHEBI:48595 +name: 5'-S-methyl-5'-thioinosine +is_a: CHEBI:24844 ! inosines +is_a: CHEBI:36988 ! 5'-deoxyribonucleoside + +[Term] +id: CHEBI:48597 +name: arsenate(2-) +is_a: CHEBI:22629 ! arsenate ion + +[Term] +id: CHEBI:48600 +name: arsenate(1-) +is_a: CHEBI:22629 ! arsenate ion + +[Term] +id: CHEBI:48604 +name: carnitinamide +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_part CHEBI:23004 ! carbamoyl group +relationship: has_part CHEBI:43176 ! hydroxy group + +[Term] +id: CHEBI:48622 +name: pGpG +is_a: CHEBI:48638 ! 5'-phospho-(3'->5')-dinucleotide + +[Term] +id: CHEBI:48626 +name: pyranoindolizinoquinoline +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:48635 +name: fumagillin +is_a: CHEBI:133131 ! spiro-epoxide +is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:64419 ! meroterpenoid +is_a: CHEBI:87113 ! antibiotic antifungal drug +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35820 ! antiprotozoal drug +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:48422 ! angiogenesis inhibitor +relationship: has_role CHEBI:73361 ! methionine aminopeptidase 2 inhibitor +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:48637 +name: (3'->5')-dinucleotide +is_a: CHEBI:47885 ! dinucleotide + +[Term] +id: CHEBI:48638 +name: 5'-phospho-(3'->5')-dinucleotide +is_a: CHEBI:48637 ! (3'->5')-dinucleotide + +[Term] +id: CHEBI:48643 +name: (2Z)-2-hydroxypenta-2,4-dienoic acid +is_a: CHEBI:18355 ! 2-hydroxypenta-2,4-dienoic acid + +[Term] +id: CHEBI:48649 +name: L-sorbopyranose +is_a: CHEBI:17266 ! L-sorbose +is_a: CHEBI:48679 ! sorbopyranose + +[Term] +id: CHEBI:48652 +name: 1,3-thiazolemonocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38418 ! 1,3-thiazoles + +[Term] +id: CHEBI:48657 +name: L-xylo-hexos-2-ulose +is_a: CHEBI:48664 ! xylo-hexos-2-ulose + +[Term] +id: CHEBI:4866 +name: 17beta-estradiol 3-sulfate +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:48664 +name: xylo-hexos-2-ulose +is_a: CHEBI:33921 ! ketoaldohexose + +[Term] +id: CHEBI:48666 +name: D-xylo-hexos-2-ulose +is_a: CHEBI:48664 ! xylo-hexos-2-ulose + +[Term] +id: CHEBI:48675 +name: antifibrinolytic drug +is_a: CHEBI:48676 ! fibrin modulating drug + +[Term] +id: CHEBI:48676 +name: fibrin modulating drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:48679 +name: sorbopyranose +is_a: CHEBI:27922 ! sorbose + +[Term] +id: CHEBI:48681 +name: 2,3-dihydroxycinnamic acid +is_a: CHEBI:24689 ! hydroxycinnamic acid + +[Term] +id: CHEBI:48683 +name: piperazinecarboxylic acid +is_a: CHEBI:26144 ! piperazines +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:48691 +name: 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid +is_a: CHEBI:23469 ! cyclohexadienediol +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:48701 +name: 7alpha,24-dihydroxycholest-4-en-3-one +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:48887 ! bile acid metabolite + +[Term] +id: CHEBI:48705 +name: agonist +is_a: CHEBI:52210 ! pharmacological role + +[Term] +id: CHEBI:48706 +name: antagonist +is_a: CHEBI:52210 ! pharmacological role + +[Term] +id: CHEBI:48716 +name: 9,9'-di-cis-zeta-carotene +is_a: CHEBI:27362 ! zeta-carotene + +[Term] +id: CHEBI:48717 +name: 9,9',15-tri-cis-zeta-carotene +is_a: CHEBI:27362 ! zeta-carotene + +[Term] +id: CHEBI:48726 +name: nitroanisoles +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:35716 ! C-nitro compound + +[Term] +id: CHEBI:48741 +name: beta-phellandrene +is_a: CHEBI:50034 ! phellandrene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:48742 +name: 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +relationship: has_role CHEBI:48887 ! bile acid metabolite + +[Term] +id: CHEBI:48765 +name: dimethylarsinic acid +is_a: CHEBI:33406 ! organoarsenic compound +relationship: has_role CHEBI:76206 ! xenobiotic metabolite + +[Term] +id: CHEBI:48775 +name: cadmium(2+) +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation +is_a: CHEBI:63063 ! cadmium cation + +[Term] +id: CHEBI:487869 +name: clavulanate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:48796 +name: iron-sulfur-molybdenum cluster +is_a: CHEBI:30408 ! iron-sulfur cluster + +[Term] +id: CHEBI:488 +name: 1,2-campholide +is_a: CHEBI:18946 ! delta-lactone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:48819 +name: cyano group +is_a: CHEBI:36823 ! pseudohalo group + +[Term] +id: CHEBI:48828 +name: cobalt(2+) +is_a: CHEBI:23336 ! cobalt cation +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation + +[Term] +id: CHEBI:48847 +name: heterocyclic fatty acid +is_a: CHEBI:5686 ! heterocyclic compound +is_a: CHEBI:59238 ! cyclic fatty acid + +[Term] +id: CHEBI:48848 +name: erythronolide A +is_a: CHEBI:23955 ! erythronolide + +[Term] +id: CHEBI:4885 +name: ethionamide +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:47956 ! thiocarboxamide +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:35679 ! antilipemic drug +relationship: has_role CHEBI:35816 ! leprostatic drug +relationship: has_role CHEBI:50185 ! fatty acid synthesis inhibitor +relationship: has_role CHEBI:50266 ! prodrug + +[Term] +id: CHEBI:48850 +name: alkyloxynaphthalene +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:48851 +name: methoxynaphthalene +is_a: CHEBI:48850 ! alkyloxynaphthalene + +[Term] +id: CHEBI:48854 +name: sulfurous acid +is_a: CHEBI:33402 ! sulfur oxoacid + +[Term] +id: CHEBI:48861 +name: 2-trans,6-trans,10-trans-geranylgeranyl diphosphate +is_a: CHEBI:15831 ! geranylgeranyl diphosphate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:48863 +name: phycocyanobilin +is_a: CHEBI:22869 ! bilins +relationship: has_role CHEBI:82632 ! phytochrome chromophore + +[Term] +id: CHEBI:48867 +name: 4-(trimethylammonio)but-2-enoic acid +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:48868 +name: sn-1-O-(geranylgeranyl)glycerol 3-phosphate +is_a: CHEBI:48869 ! 3-O-(geranylgeranyl)glycerol 1-phosphate + +[Term] +id: CHEBI:48869 +name: 3-O-(geranylgeranyl)glycerol 1-phosphate +is_a: CHEBI:24232 ! geranylgeranylglycerol 1-phosphate + +[Term] +id: CHEBI:48870 +name: idaric acid anion +is_a: CHEBI:24576 ! hexaric acid anion + +[Term] +id: CHEBI:48871 +name: galactaric acid anion +is_a: CHEBI:24576 ! hexaric acid anion + +[Term] +id: CHEBI:48873 +name: cholinergic antagonist +is_a: CHEBI:38323 ! cholinergic drug + +[Term] +id: CHEBI:48876 +name: muscarinic antagonist +is_a: CHEBI:48873 ! cholinergic antagonist + +[Term] +id: CHEBI:48878 +name: nicotinic antagonist +is_a: CHEBI:48873 ! cholinergic antagonist + +[Term] +id: CHEBI:48882 +name: (R)-atropine +is_a: CHEBI:78734 ! tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate + +[Term] +id: CHEBI:48887 +name: bile acid metabolite +is_a: CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:48891 +name: thiazolidinone +is_a: CHEBI:35622 ! thiazolidines + +[Term] +id: CHEBI:48901 +name: thiazoles +is_a: CHEBI:38106 ! organosulfur heterocyclic compound +is_a: CHEBI:68452 ! azole + +[Term] +id: CHEBI:48905 +name: (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid +is_a: CHEBI:134615 ! hydroperoxyoctadecatrienoic acid +is_a: CHEBI:61051 ! lipid hydroperoxide +is_a: CHEBI:73155 ! trienoic fatty acid + +[Term] +id: CHEBI:48907 +name: (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid +is_a: CHEBI:38387 ! 9,11,15-octadecatrienoic acid + +[Term] +id: CHEBI:48914 +name: glucaric acid anion +is_a: CHEBI:24576 ! hexaric acid anion + +[Term] +id: CHEBI:48916 +name: altraric acid anion +is_a: CHEBI:24576 ! hexaric acid anion + +[Term] +id: CHEBI:48923 +name: erythromycin +is_a: CHEBI:23953 ! erythromycins +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:48926 +name: S-(hydroxymethyl)glutathione +is_a: CHEBI:17021 ! S-substitued glutathione +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:48927 +name: N-acyl-L-alpha-amino acid +is_a: CHEBI:21644 ! N-acyl-L-amino acid + +[Term] +id: CHEBI:48928 +name: 6-phospho-D-gluconic acid +is_a: CHEBI:35184 ! gluconic acid phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:48929 +name: 3-carboxy-2,3-dihydroxypropanoate +is_a: CHEBI:132950 ! tartrate +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:48932 +name: L-glyceraldehyde 3-phosphate +is_a: CHEBI:17138 ! glyceraldehyde 3-phosphate + +[Term] +id: CHEBI:48937 +name: phytane +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:48939 +name: (25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol +is_a: CHEBI:17278 ! 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol + +[Term] +id: CHEBI:48940 +name: (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al +is_a: CHEBI:16466 ! 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al + +[Term] +id: CHEBI:48942 +name: isovalerate +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:83972 ! 3-methyl fatty acid anion +relationship: has_role CHEBI:75768 ! mammalian metabolite +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:48943 +name: isobutyraldehyde +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:49188 ! 2-methyl-branched fatty aldehyde +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:48944 +name: isobutyrate +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:78115 ! fatty acid anion 4:0 +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:48946 +name: 2-methylbutyrate +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion + +[Term] +id: CHEBI:48947 +name: clavulanic acid +is_a: CHEBI:64509 ! oxapenam +relationship: has_role CHEBI:35474 ! anxiolytic drug +relationship: has_role CHEBI:35625 ! EC 3.5.2.6 (beta-lactamase) inhibitor +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:48948 +name: demethylsulochrin +is_a: CHEBI:22723 ! benzoic acids + +[Term] +id: CHEBI:48949 +name: 3-phenylcyclohexa-3,5-diene-1,2-diol +is_a: CHEBI:23469 ! cyclohexadienediol + +[Term] +id: CHEBI:48950 +name: L-2,4-diaminobutyric acid +is_a: CHEBI:64307 ! 2,4-diaminobutyric acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:48951 +name: cyclohexenone +is_a: CHEBI:48953 ! cyclohexenones + +[Term] +id: CHEBI:48953 +name: cyclohexenones +is_a: CHEBI:36132 ! alicyclic ketone + +[Term] +id: CHEBI:48954 +name: 7,8-dihydroneopterin 3'-phosphate +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:36942 ! pterin phosphate +is_a: CHEBI:38797 ! dihydropterin +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:48956 +name: 5-O-phosphono-D-ribofuranosyl diphosphate +is_a: CHEBI:12164 ! 5-phosphoribosyl diphosphate + +[Term] +id: CHEBI:48957 +name: N(2)-succinyl-L-glutamic acid +is_a: CHEBI:21650 ! N-acyl-L-glutamic acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:48958 +name: 1,1'-azobis(N,N-dimethylformamide) +is_a: CHEBI:48959 ! monoazo compound + +[Term] +id: CHEBI:48959 +name: monoazo compound +is_a: CHEBI:37533 ! azo compound + +[Term] +id: CHEBI:48965 +name: trans-chalcone +is_a: CHEBI:27618 ! chalcone +relationship: has_role CHEBI:50627 ! EC 3.2.1.1 (alpha-amylase) inhibitor + +[Term] +id: CHEBI:48968 +name: (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid +is_a: CHEBI:15941 ! 2,3-dihydroxy-2,3-dihydrobenzoic acid + +[Term] +id: CHEBI:48969 +name: (2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid +is_a: CHEBI:15941 ! 2,3-dihydroxy-2,3-dihydrobenzoic acid + +[Term] +id: CHEBI:48975 +name: substituted aniline +is_a: CHEBI:22562 ! anilines + +[Term] +id: CHEBI:48980 +name: quinolin-7-ol +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:48981 +name: quinolin-8-ol +is_a: CHEBI:38775 ! monohydroxyquinoline +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:38157 ! iron chelator +relationship: has_role CHEBI:48218 ! antiseptic drug +relationship: has_role CHEBI:86328 ! antifungal agrochemical + +[Term] +id: CHEBI:48982 +name: methylquinoline +is_a: CHEBI:26513 ! quinolines + +[Term] +id: CHEBI:48983 +name: 4-methylquinoline +is_a: CHEBI:48982 ! methylquinoline +relationship: has_role CHEBI:25435 ! mutagen + +[Term] +id: CHEBI:48984 +name: 8-methylquinoline +is_a: CHEBI:48982 ! methylquinoline + +[Term] +id: CHEBI:48985 +name: 8-chloroquinoline +is_a: CHEBI:26513 ! quinolines +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:48986 +name: 4-methylquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone + +[Term] +id: CHEBI:48987 +name: 7-hydroxyquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:48988 +name: 8-hydroxyquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:48989 +name: 8-methylquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone + +[Term] +id: CHEBI:48990 +name: 8-chloroquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:48991 +name: 7-methylxanthine +is_a: CHEBI:25810 ! oxopurine +is_a: CHEBI:26385 ! purine alkaloid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:48993 +name: quinolin-5-ol +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:48994 +name: quinolin-6-ol +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:48995 +name: 5-hydroxyquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:48996 +name: 6-hydroxyquinolin-2(1H)-one +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:38775 ! monohydroxyquinoline + +[Term] +id: CHEBI:48999 +name: 4-hydroxyphenylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:49002 +name: N-acetyl-L-citrulline +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:49006 ! N-acetylcitrulline + +[Term] +id: CHEBI:49003 +name: 4-phospho-D-erythronic acid +is_a: CHEBI:49055 ! 4-phosphoerythronic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:49004 +name: N-acetyl-LL-2,6-diaminopimelic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid + +[Term] +id: CHEBI:49006 +name: N-acetylcitrulline +is_a: CHEBI:21575 ! N-acetyl-amino acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:49007 +name: D-citrulline +is_a: CHEBI:18211 ! citrulline + +[Term] +id: CHEBI:49008 +name: (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid +is_a: CHEBI:17095 ! cis-1,6-dihydroxy-4-methylcyclohexa-2,4-dienecarboxylic acid + +[Term] +id: CHEBI:49009 +name: (1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid +is_a: CHEBI:17095 ! cis-1,6-dihydroxy-4-methylcyclohexa-2,4-dienecarboxylic acid + +[Term] +id: CHEBI:490095 +name: esculetin +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:73335 ! ultraviolet filter +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49014 +name: (S)-1-piperideine-6-carboxylic acid +is_a: CHEBI:49015 ! 1-piperideine-6-carboxylic acid + +[Term] +id: CHEBI:49015 +name: 1-piperideine-6-carboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26921 ! tetrahydropyridine +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:49016 +name: 3-(methylthio)propionate +is_a: CHEBI:59848 ! thia fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:49017 +name: 3-methylthiopropanal +is_a: CHEBI:22327 ! aliphatic sulfide +relationship: has_role CHEBI:49023 ! prostaglandin antagonist + +[Term] +id: CHEBI:49018 +name: neuraminic acid +is_a: CHEBI:25508 ! neuraminic acids + +[Term] +id: CHEBI:49019 +name: 3-methylthiopropanol +is_a: CHEBI:22327 ! aliphatic sulfide +is_a: CHEBI:86315 ! methyl sulfide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:49020 +name: hormone antagonist +is_a: CHEBI:48706 ! antagonist +is_a: CHEBI:51061 ! hormone receptor modulator + +[Term] +id: CHEBI:49022 +name: beta-neuraminic acid +is_a: CHEBI:7539 ! 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid + +[Term] +id: CHEBI:49023 +name: prostaglandin antagonist +is_a: CHEBI:49020 ! hormone antagonist + +[Term] +id: CHEBI:49024 +name: alpha-neuraminic acid +is_a: CHEBI:7539 ! 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid + +[Term] +id: CHEBI:49026 +name: N-acetyl-alpha-neuraminic acid +is_a: CHEBI:17012 ! N-acetylneuraminic acid +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:49028 +name: acetimidic acid +is_a: CHEBI:48378 ! carboximidic acid + +[Term] +id: CHEBI:4903 +name: 17alpha-ethynylestradiol +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:36838 ! 17-hydroxy steroid +is_a: CHEBI:73477 ! terminal acetylenic compound +relationship: has_role CHEBI:76988 ! xenoestrogen + +[Term] +id: CHEBI:49030 +name: (R)-2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid +is_a: CHEBI:16993 ! 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid + +[Term] +id: CHEBI:49031 +name: L-methionine (S)-S-oxide +is_a: CHEBI:17016 ! L-methionine S-oxide + +[Term] +id: CHEBI:49032 +name: L-methionine (R)-S-oxide +is_a: CHEBI:17016 ! L-methionine S-oxide +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:49033 +name: methionine S-oxide +is_a: CHEBI:25230 ! methionine derivative +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:49034 +name: D-methionine S-oxide +is_a: CHEBI:49033 ! methionine S-oxide + +[Term] +id: CHEBI:49035 +name: D-methionine (R)-S-oxide +is_a: CHEBI:49034 ! D-methionine S-oxide + +[Term] +id: CHEBI:49036 +name: D-methionine (S)-S-oxide +is_a: CHEBI:49034 ! D-methionine S-oxide + +[Term] +id: CHEBI:49038 +name: L-methionyl group +is_a: CHEBI:33716 ! N-terminal proteinogenic amino-acid residue +is_a: CHEBI:37902 ! methionyl group + +[Term] +id: CHEBI:49039 +name: 3-dehydro-L-gulonic acid 6-phosphate +is_a: CHEBI:63394 ! ketoaldonic acid derivative +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:49043 +name: beta-lactone +is_a: CHEBI:25000 ! lactone + +[Term] +id: CHEBI:49044 +name: (-)-germacrene D +is_a: CHEBI:49045 ! germacrene D + +[Term] +id: CHEBI:49045 +name: germacrene D +is_a: CHEBI:36743 ! germacrene + +[Term] +id: CHEBI:49046 +name: (+)-germacrene D +is_a: CHEBI:49045 ! germacrene D + +[Term] +id: CHEBI:49049 +name: 3-oxo-3-ureidopropanoic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:49050 +name: ureidoglycolic acid +is_a: CHEBI:49052 ! ureidocarboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:49051 +name: 5,7-dihydro-1H-purine-2,6,8(9H)-trione +is_a: CHEBI:27226 ! uric acid + +[Term] +id: CHEBI:49052 +name: ureidocarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:49055 +name: 4-phosphoerythronic acid +is_a: CHEBI:37653 ! phosphoerythronic acid + +[Term] +id: CHEBI:49056 +name: 4-phospho-L-erythronic acid +is_a: CHEBI:49055 ! 4-phosphoerythronic acid + +[Term] +id: CHEBI:49057 +name: (all-E)-deca-2,4,6,8-tetraenedioic acid +is_a: CHEBI:48542 ! deca-2,4,6,8-tetraenedioic acid + +[Term] +id: CHEBI:49058 +name: L-erythronic acid +is_a: CHEBI:37654 ! erythronic acid + +[Term] +id: CHEBI:49059 +name: D-threonic acid +is_a: CHEBI:26984 ! threonic acid + +[Term] +id: CHEBI:49060 +name: 2,3,4-trihydroxybutanoic acid +is_a: CHEBI:24684 ! hydroxybutyric acid +is_a: CHEBI:33755 ! tetronic acid + +[Term] +id: CHEBI:49061 +name: 2,3,4-trihydroxybutanoate +is_a: CHEBI:33762 ! tetronate + +[Term] +id: CHEBI:49062 +name: tetronic acid phosphate +is_a: CHEBI:22300 ! aldonic acid phosphate + +[Term] +id: CHEBI:49064 +name: 4-phosphothreonic acid +is_a: CHEBI:49065 ! phosphothreonic acid + +[Term] +id: CHEBI:49065 +name: phosphothreonic acid +is_a: CHEBI:49062 ! tetronic acid phosphate + +[Term] +id: CHEBI:49069 +name: 4-phospho-D-threonic acid +is_a: CHEBI:49064 ! 4-phosphothreonic acid + +[Term] +id: CHEBI:49070 +name: 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid +is_a: CHEBI:32328 ! 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)acrylic acid + +[Term] +id: CHEBI:49071 +name: 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid +is_a: CHEBI:32328 ! 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)acrylic acid + +[Term] +id: CHEBI:49072 +name: (R)-2,3-dihydroxy-3-methylbutanoate +is_a: CHEBI:11424 ! 2,3-dihydroxy-3-methylbutanoate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:49075 +name: 2-formylglutaric acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:49077 +name: 2-hydroxymethylglutaric acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:49080 +name: marmesin +is_a: CHEBI:26369 ! psoralens +is_a: CHEBI:26878 ! tertiary alcohol + +[Term] +id: CHEBI:49081 +name: 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid +is_a: CHEBI:25622 ! orthoquinones +is_a: CHEBI:27093 ! tricarboxylic acid +is_a: CHEBI:27171 ! organic heterobicyclic compound + +[Term] +id: CHEBI:49084 +name: N-acyl-D-glutamates(1-) +is_a: CHEBI:59876 ! N-acyl-D-alpha-amino acid anion + +[Term] +id: CHEBI:49085 +name: N-acyl-D-glutamic acid +is_a: CHEBI:15778 ! N-acyl-D-amino acid +is_a: CHEBI:21658 ! N-acylglutamic acid +is_a: CHEBI:83983 ! D-glutamic acid derivative + +[Term] +id: CHEBI:49086 +name: CDP-choline(1+) +is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s + +[Term] +id: CHEBI:49087 +name: 2,6-dihydroxynicotinic acid +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:49088 +name: D-tagatofuranose +is_a: CHEBI:16443 ! D-tagatose + +[Term] +id: CHEBI:49094 +name: tagatose 6-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:49095 +name: beta-amino-acid anion +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:49096 +name: 3-aminoisobutyrate +is_a: CHEBI:49095 ! beta-amino-acid anion +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:49097 +name: (R)-3-aminoisobutyrate +is_a: CHEBI:49096 ! 3-aminoisobutyrate + +[Term] +id: CHEBI:49098 +name: (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:49100 +name: adenosylcobalamin 5'-phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:49101 +name: N-(3,4-dichlorophenyl)malonamic acid +is_a: CHEBI:23697 ! dichlorobenzene +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide + +[Term] +id: CHEBI:49102 +name: malonamate +is_a: CHEBI:49095 ! beta-amino-acid anion + +[Term] +id: CHEBI:49103 +name: drug metabolite +is_a: CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:49104 +name: heteroarenecarbaldehyde +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:49106 +name: oxepane +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:37407 ! cyclic ether + +[Term] +id: CHEBI:49107 +name: thiamine(2+) +is_a: CHEBI:26948 ! thiamine + +[Term] +id: CHEBI:49108 +name: dopachrome +is_a: CHEBI:25622 ! orthoquinones + +[Term] +id: CHEBI:49109 +name: D-dopachrome +is_a: CHEBI:49108 ! dopachrome + +[Term] +id: CHEBI:4911 +name: etoposide +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:50307 ! furonaphthodioxole +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor + +[Term] +id: CHEBI:49110 +name: peripheral nervous system drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:49124 +name: N-(beta-D-glucosyl)nicotinic acid +is_a: CHEBI:7285 ! N-(D-glucopyranosyl)nicotinic acid + +[Term] +id: CHEBI:49125 +name: N-(beta-D-glucosyl)nicotinate +is_a: CHEBI:15917 ! N-(D-glucopyranosyl)nicotinate + +[Term] +id: CHEBI:49156 +name: (6S)-vomifoliol +is_a: CHEBI:28258 ! vomifoliol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:49160 +name: (6R,9S)-vomifoliol +is_a: CHEBI:49161 ! (6R)-vomifoliol + +[Term] +id: CHEBI:49161 +name: (6R)-vomifoliol +is_a: CHEBI:28258 ! vomifoliol + +[Term] +id: CHEBI:49164 +name: (6S,9R)-vomifoliol +is_a: CHEBI:49156 ! (6S)-vomifoliol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:38231 ! phytotoxin + +[Term] +id: CHEBI:49167 +name: anti-asthmatic drug +is_a: CHEBI:23888 ! drug +is_a: CHEBI:65023 ! anti-asthmatic agent + +[Term] +id: CHEBI:49168 +name: dopa +is_a: CHEBI:24734 ! hydroxyphenylalanine +is_a: CHEBI:62761 ! tyrosine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:49169 +name: D-dopa +is_a: CHEBI:49168 ! dopa +is_a: CHEBI:84124 ! D-tyrosine derivative + +[Term] +id: CHEBI:4917 +name: eugenol +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:139492 ! sensitiser +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite + +[Term] +id: CHEBI:49172 +name: 1,2-diglyceride +is_a: CHEBI:18035 ! diglyceride + +[Term] +id: CHEBI:49173 +name: 2-hydroxy-3-methylacyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:49174 +name: 2-hydroxy-3-methylhexadecanoyl-CoA +is_a: CHEBI:49173 ! 2-hydroxy-3-methylacyl-CoA + +[Term] +id: CHEBI:49175 +name: 2-hydroxy-3-methylhexadecanoic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid + +[Term] +id: CHEBI:49177 +name: (6R)-dehydrovomifoliol +is_a: CHEBI:18429 ! dehydrovomifoliol + +[Term] +id: CHEBI:49178 +name: 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA +is_a: CHEBI:61940 ! aroyl-CoA + +[Term] +id: CHEBI:49179 +name: cis-3,4-didehydroadipoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:27773 ! cis-3-enoyl-CoA + +[Term] +id: CHEBI:49180 +name: cis-3,4-didehydroadipoyl-CoA semialdehyde +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:27773 ! cis-3-enoyl-CoA + +[Term] +id: CHEBI:49181 +name: (R)-1,2-didecanoylglycerol +is_a: CHEBI:11152 ! 1,2-didecanoylglycerol + +[Term] +id: CHEBI:49182 +name: 1,5-anhydro-D-mannitol +is_a: CHEBI:22558 ! anhydro sugar + +[Term] +id: CHEBI:49183 +name: phosphatidylcholine(1+) +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:49187 +name: (-)-abscisic aldehyde +is_a: CHEBI:22144 ! abscisic aldehyde + +[Term] +id: CHEBI:49188 +name: 2-methyl-branched fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde + +[Term] +id: CHEBI:49189 +name: pristanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +is_a: CHEBI:49188 ! 2-methyl-branched fatty aldehyde +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:49190 +name: 2-methylpentadecanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +is_a: CHEBI:49188 ! 2-methyl-branched fatty aldehyde + +[Term] +id: CHEBI:49191 +name: momilactone A +is_a: CHEBI:49192 ! pimarane diterpenoid +is_a: CHEBI:49193 ! diterpene lactone + +[Term] +id: CHEBI:49192 +name: pimarane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:49193 +name: diterpene lactone +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:37668 ! terpene lactone + +[Term] +id: CHEBI:49194 +name: 3-(1-carboxyvinyloxy)anthranilic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:49195 +name: 3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide +is_a: CHEBI:49192 ! pimarane diterpenoid +is_a: CHEBI:49193 ! diterpene lactone + +[Term] +id: CHEBI:49197 +name: 2-amino-2-deoxyisochorismic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:49198 +name: 2-O-sinapoyl-D-glucaric acid +is_a: CHEBI:46638 ! O-sinapoyl-D-glucaric acid + +[Term] +id: CHEBI:49201 +name: anti-ulcer drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:49202 +name: elemental platinum +is_a: CHEBI:33749 ! platinum molecular entity + +[Term] +id: CHEBI:49204 +name: (+)-guaia-6,9-diene +is_a: CHEBI:49206 ! (1xi,4xi,5xi)-guaia-6,9-diene + +[Term] +id: CHEBI:49206 +name: (1xi,4xi,5xi)-guaia-6,9-diene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:49207 +name: (-)-guaia-6,9-diene +is_a: CHEBI:49206 ! (1xi,4xi,5xi)-guaia-6,9-diene + +[Term] +id: CHEBI:49209 +name: himachalene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49210 +name: beta-himachalene +is_a: CHEBI:49209 ! himachalene + +[Term] +id: CHEBI:49214 +name: alpha-himachalene +is_a: CHEBI:49209 ! himachalene + +[Term] +id: CHEBI:49222 +name: (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid +is_a: CHEBI:49223 ! 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid + +[Term] +id: CHEBI:49223 +name: 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid +is_a: CHEBI:25754 ! oxo carboxylic acid + +[Term] +id: CHEBI:49224 +name: gamma-himachalene +is_a: CHEBI:49209 ! himachalene + +[Term] +id: CHEBI:49231 +name: sibirene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:49235 +name: bisabolene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:49237 +name: gamma-bisabolene +is_a: CHEBI:49235 ! bisabolene + +[Term] +id: CHEBI:49238 +name: (Z)-gamma-bisabolene +is_a: CHEBI:49237 ! gamma-bisabolene + +[Term] +id: CHEBI:49239 +name: (E)-gamma-bisabolene +is_a: CHEBI:49237 ! gamma-bisabolene + +[Term] +id: CHEBI:49240 +name: alpha-bisabolene +is_a: CHEBI:49235 ! bisabolene + +[Term] +id: CHEBI:49242 +name: (E)-alpha-bisabolene +is_a: CHEBI:49240 ! alpha-bisabolene + +[Term] +id: CHEBI:49243 +name: (E,R)-alpha-bisabolene +is_a: CHEBI:49242 ! (E)-alpha-bisabolene + +[Term] +id: CHEBI:49244 +name: (E,S)-alpha-bisabolene +is_a: CHEBI:49242 ! (E)-alpha-bisabolene + +[Term] +id: CHEBI:49247 +name: apo carotenoid monoterpenoid +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:49248 +name: ionone +is_a: CHEBI:49247 ! apo carotenoid monoterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49249 +name: beta-bisabolene +is_a: CHEBI:49235 ! bisabolene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49252 +name: 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one +is_a: CHEBI:22327 ! aliphatic sulfide +is_a: CHEBI:51689 ! enone +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:49253 +name: (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid +is_a: CHEBI:36949 ! hydroxyalkyl phosphate +is_a: CHEBI:36952 ! carboxyalkyl phosphate + +[Term] +id: CHEBI:49254 +name: (S,S)-9,10-dihydroxyoctadecanoic acid +is_a: CHEBI:28724 ! 9,10-dihydroxyoctadecanoic acid + +[Term] +id: CHEBI:49255 +name: N-(6-aminohexanoyl)-6-aminohexanoic acid +is_a: CHEBI:29347 ! monocarboxylic acid amide + +[Term] +id: CHEBI:49256 +name: (S)-2-acetyl-2-hydroxybutanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:49257 +name: (R)-3-hydroxy-3-methyl-2-oxopentanoate +is_a: CHEBI:53338 ! 3-hydroxy-3-methyl-2-oxopentanoate + +[Term] +id: CHEBI:49258 +name: (2R,3R)-2,3-dihydroxy-3-methylpentanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:49259 +name: (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid + +[Term] +id: CHEBI:49260 +name: 4-(L-gamma-glutamylamino)butanoic acid +is_a: CHEBI:134018 ! N-acyl-gamma-aminobutyric acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +relationship: has_part CHEBI:32474 ! L-gamma-glutamyl group +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:49261 +name: 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:49262 +name: cyclohexa-1,5-diene-1-carboxylic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:49263 +name: (S)-beta-bisabolene +is_a: CHEBI:49249 ! beta-bisabolene + +[Term] +id: CHEBI:49264 +name: nonatrienedicarboxylic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid + +[Term] +id: CHEBI:49265 +name: 8-[(1R,2R)-3-oxo-2-\{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:35744 ! carbocyclic fatty acid +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:49266 +name: (R)-beta-bisabolene +is_a: CHEBI:49249 ! beta-bisabolene + +[Term] +id: CHEBI:49268 +name: 5-amino-2-oxopentanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:35931 ! delta-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:49269 +name: 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:49270 +name: 12alpha-hydroxy-3-oxochola-4,6-dien-24-oic acid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:49271 +name: (5xi,7xi,10xi)-eudesma-4(14),11-diene +is_a: CHEBI:49272 ! selinene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49272 +name: selinene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49273 +name: cholenoic acid +is_a: CHEBI:36078 ! cholanoid +is_a: CHEBI:47891 ! steroid acid + +[Term] +id: CHEBI:49274 +name: (-)-beta-selinene +is_a: CHEBI:49276 ! beta-selinene + +[Term] +id: CHEBI:49275 +name: chol-4-en-24-oic acid +is_a: CHEBI:49273 ! cholenoic acid + +[Term] +id: CHEBI:49276 +name: beta-selinene +is_a: CHEBI:49271 ! (5xi,7xi,10xi)-eudesma-4(14),11-diene +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:49277 +name: chola-4,6-dien-24-oic acid +is_a: CHEBI:49273 ! cholenoic acid + +[Term] +id: CHEBI:49278 +name: delta-selinene +is_a: CHEBI:49272 ! selinene + +[Term] +id: CHEBI:49279 +name: (+)-delta-selinene +is_a: CHEBI:49278 ! delta-selinene + +[Term] +id: CHEBI:49280 +name: (-)-delta-selinene +is_a: CHEBI:49278 ! delta-selinene + +[Term] +id: CHEBI:49283 +name: 3-hexenoic acid +is_a: CHEBI:24580 ! hexenoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49284 +name: cis-hex-3-enoic acid +is_a: CHEBI:49283 ! 3-hexenoic acid + +[Term] +id: CHEBI:49285 +name: trans-hex-3-enoic acid +is_a: CHEBI:49283 ! 3-hexenoic acid + +[Term] +id: CHEBI:49289 +name: humulene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:49290 +name: gamma-humulene +is_a: CHEBI:49289 ! humulene + +[Term] +id: CHEBI:49298 +name: N-formyl-L-methionyl group +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:49299 +name: D-fructofuranose 1,6-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:49301 +name: hydrindane +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon + +[Term] +id: CHEBI:49302 +name: 2-hydroxy monocarboxylic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:49305 +name: 5,6alpha-epoxy-5alpha-cholestan-3beta-ol +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol + +[Term] +id: CHEBI:49310 +name: 7-methylxanthosine +is_a: CHEBI:48136 ! xanthosines + +[Term] +id: CHEBI:49311 +name: alpha-humulene +is_a: CHEBI:49289 ! humulene +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49314 +name: germacrene B +is_a: CHEBI:36743 ! germacrene +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:49318 +name: piperidine antibiotic +is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic +is_a: CHEBI:26151 ! piperidines + +[Term] +id: CHEBI:49319 +name: carbocyclic antibiotic +is_a: CHEBI:33598 ! carbocyclic compound +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:49322 +name: anthracycline antibiotic +is_a: CHEBI:48120 ! anthracycline +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:49323 +name: contraceptive drug +is_a: CHEBI:50689 ! reproductive control drug + +[Term] +id: CHEBI:49388 +name: bacterioruberin +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:87165 ! C50 carotenoid +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:49432 +name: 5-hydroxyectoine +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35359 ! carboxamidine +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:78715 ! 1,4,5,6-tetrahydropyrimidines + +[Term] +id: CHEBI:49468 +name: silver(1+) +is_a: CHEBI:25414 ! monoatomic monocation +is_a: CHEBI:33966 ! elemental silver +is_a: CHEBI:60242 ! monovalent inorganic cation +is_a: CHEBI:60253 ! silver cation + +[Term] +id: CHEBI:49496 +name: gold(3+) +is_a: CHEBI:27153 ! monoatomic trication +is_a: CHEBI:33970 ! elemental gold + +[Term] +id: CHEBI:49537 +name: c-di-GMP +is_a: CHEBI:47037 ! cyclic purine dinucleotide +is_a: CHEBI:61295 ! guanyl ribonucleotide +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:62488 ! signalling molecule + +[Term] +id: CHEBI:49544 +name: chromium(3+) +is_a: CHEBI:27153 ! monoatomic trication +is_a: CHEBI:33516 ! chromium cation + +[Term] +id: CHEBI:495505 +name: dATP(3-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:49552 +name: copper(1+) +is_a: CHEBI:23378 ! copper cation +is_a: CHEBI:25414 ! monoatomic monocation + +[Term] +id: CHEBI:49575 +name: diazepam +is_a: CHEBI:35500 ! 1,4-benzodiazepinone +is_a: CHEBI:36683 ! organochlorine compound +relationship: has_role CHEBI:35474 ! anxiolytic drug +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:35717 ! sedative +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:49601 +name: Fe2S2 iron-sulfur cluster +is_a: CHEBI:30408 ! iron-sulfur cluster + +[Term] +id: CHEBI:49603 +name: lapatinib +is_a: CHEBI:24129 ! furans +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37143 ! organofluorine compound +is_a: CHEBI:38530 ! quinazolines +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor + +[Term] +id: CHEBI:49637 +name: hydrogen atom +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:25585 ! nonmetal atom +is_a: CHEBI:33559 ! s-block element atom +relationship: has_role CHEBI:33937 ! macronutrient + +[Term] +id: CHEBI:49643 +name: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:49703 +name: latrunculin B +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:46733 ! oxabicycloalkane +is_a: CHEBI:48891 ! thiazolidinone +is_a: CHEBI:59780 ! cyclic hemiketal +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:70728 ! actin polymerisation inhibitor + +[Term] +id: CHEBI:49709 +name: chlorate +is_a: CHEBI:33437 ! chlorine oxoanion +is_a: CHEBI:79389 ! monovalent inorganic anion + +[Term] +id: CHEBI:49713 +name: lithium(1+) +is_a: CHEBI:25414 ! monoatomic monocation +is_a: CHEBI:33504 ! alkali metal cation +is_a: CHEBI:60242 ! monovalent inorganic cation + +[Term] +id: CHEBI:49747 +name: methylmercury(1+) +is_a: CHEBI:25322 ! methylmercury compound + +[Term] +id: CHEBI:49751 +name: D-monapterin +is_a: CHEBI:25500 ! neopterins + +[Term] +id: CHEBI:49770 +name: methyl red +is_a: CHEBI:22682 ! azobenzenes +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:37958 ! dye + +[Term] +id: CHEBI:497734 +name: L-thialysine +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:75190 ! EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor + +[Term] +id: CHEBI:49786 +name: nickel(2+) +is_a: CHEBI:25516 ! nickel cation +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation +is_a: CHEBI:88186 ! metal cation allergen + +[Term] +id: CHEBI:49807 +name: lead(2+) +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:60240 ! divalent metal cation +is_a: CHEBI:60252 ! lead cation + +[Term] +id: CHEBI:4986 +name: fatty acid methyl ester +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:49870 +name: antimonous acid +is_a: CHEBI:36920 ! antimony oxoacid + +[Term] +id: CHEBI:49883 +name: tetra-mu3-sulfido-tetrairon +is_a: CHEBI:64607 ! Fe4S4 iron-sulfur cluster +relationship: has_role CHEBI:23357 ! cofactor + +[Term] +id: CHEBI:49900 +name: arsenous acid +is_a: CHEBI:33407 ! arsenic oxoacid + +[Term] +id: CHEBI:49957 +name: xenon atom +is_a: CHEBI:33309 ! noble gas atom +is_a: CHEBI:33560 ! p-block element atom + +[Term] +id: CHEBI:49983 +name: 3-aminoalaninate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:4999 +name: fenchone +is_a: CHEBI:36130 ! cyclic terpene ketone +is_a: CHEBI:36739 ! fenchane monoterpenoid +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50004 +name: cis-stilbene oxide +is_a: CHEBI:50006 ! stilbene oxide + +[Term] +id: CHEBI:50006 +name: stilbene oxide +is_a: CHEBI:32955 ! epoxide + +[Term] +id: CHEBI:50007 +name: antimony coordination entity +is_a: CHEBI:36919 ! antimony molecular entity + +[Term] +id: CHEBI:5001 +name: fenofibrate +is_a: CHEBI:23135 ! chlorobenzophenone +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:35725 ! isopropyl ester +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:35679 ! antilipemic drug +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:50013 +name: hydrobenzoin +is_a: CHEBI:23976 ! ethanediol + +[Term] +id: CHEBI:50014 +name: (R,R)-hydrobenzoin +is_a: CHEBI:50013 ! hydrobenzoin + +[Term] +id: CHEBI:50017 +name: arsonous acids +is_a: CHEBI:33407 ! arsenic oxoacid + +[Term] +id: CHEBI:50018 +name: glycosyloxyflavone +is_a: CHEBI:24043 ! flavones +is_a: CHEBI:24400 ! glycoside + +[Term] +id: CHEBI:50025 +name: beta-pinene +is_a: CHEBI:17187 ! pinene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50026 +name: (+)-beta-pinene +is_a: CHEBI:50025 ! beta-pinene + +[Term] +id: CHEBI:50027 +name: sabinene +is_a: CHEBI:50030 ! thujene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50028 +name: (-)-sabinene +is_a: CHEBI:50027 ! sabinene + +[Term] +id: CHEBI:50029 +name: (+)-sabinene +is_a: CHEBI:50027 ! sabinene + +[Term] +id: CHEBI:50030 +name: thujene +is_a: CHEBI:35187 ! monoterpene +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:50034 +name: phellandrene +is_a: CHEBI:33643 ! cycloalkene +is_a: CHEBI:50073 ! p-menthadiene + +[Term] +id: CHEBI:50036 +name: (6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan +is_a: CHEBI:26377 ! pterocarpans +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:50037 +name: N-benzoylanthranilic acid +is_a: CHEBI:48470 ! amidobenzoic acid + +[Term] +id: CHEBI:50038 +name: deoxyhypusine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50040 +name: thujone +is_a: CHEBI:36130 ! cyclic terpene ketone +is_a: CHEBI:50041 ! thujane monoterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50041 +name: thujane monoterpenoid +is_a: CHEBI:25409 ! monoterpenoid + +[Term] +id: CHEBI:50042 +name: alpha-thujone +is_a: CHEBI:50040 ! thujone + +[Term] +id: CHEBI:50043 +name: (+)-alpha-thujone +is_a: CHEBI:50042 ! alpha-thujone + +[Term] +id: CHEBI:50047 +name: organic amino compound +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:50860 ! organic molecular entity +relationship: has_role CHEBI:39142 ! Bronsted base + +[Term] +id: CHEBI:50048 +name: phenylethylamine +is_a: CHEBI:32877 ! primary amine + +[Term] +id: CHEBI:50051 +name: cystine residue +is_a: CHEBI:33708 ! amino-acid residue + +[Term] +id: CHEBI:50058 +name: L-cystine residue +is_a: CHEBI:50051 ! cystine residue + +[Term] +id: CHEBI:50059 +name: imidazolium cation +is_a: CHEBI:59964 ! imidazolium ion + +[Term] +id: CHEBI:50060 +name: ent-cassa-12,15-diene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:50061 +name: ent-sandaracopimara-8(14),15-diene +is_a: CHEBI:50062 ! pimaradiene + +[Term] +id: CHEBI:50062 +name: pimaradiene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:50063 +name: ent-pimara-8(14),15-diene +is_a: CHEBI:50062 ! pimaradiene + +[Term] +id: CHEBI:50064 +name: ent-pimara-9(11),15-diene +is_a: CHEBI:50062 ! pimaradiene + +[Term] +id: CHEBI:50065 +name: D-cystine residue +is_a: CHEBI:50051 ! cystine residue + +[Term] +id: CHEBI:50067 +name: 9beta-pimara-7,15-diene +is_a: CHEBI:50062 ! pimaradiene + +[Term] +id: CHEBI:50068 +name: stemod-13(17)-ene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:50069 +name: stemar-13-ene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:50070 +name: ascopyrone M +is_a: CHEBI:131907 ! 3-pyrones +is_a: CHEBI:22557 ! anhydrohexose +is_a: CHEBI:24965 ! deoxyketohexose + +[Term] +id: CHEBI:50071 +name: ascopyrone P +is_a: CHEBI:22557 ! anhydrohexose +is_a: CHEBI:24965 ! deoxyketohexose + +[Term] +id: CHEBI:50072 +name: abietadiene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:50073 +name: p-menthadiene +is_a: CHEBI:35187 ! monoterpene + +[Term] +id: CHEBI:50075 +name: dihydropyridine +is_a: CHEBI:26421 ! pyridines + +[Term] +id: CHEBI:50091 +name: S-nitrosoglutathione +is_a: CHEBI:24337 ! glutathione derivative + +[Term] +id: CHEBI:50103 +name: excitatory amino acid agonist +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:50106 +name: 5beta-scymnol +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:37914 ! 27-hydroxy steroid + +[Term] +id: CHEBI:50107 +name: 5beta-scymnol sulfate +is_a: CHEBI:16158 ! steroid sulfate + +[Term] +id: CHEBI:50108 +name: 5alpha-cholane-3alpha,7alpha,12alpha,24-tetrol +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid + +[Term] +id: CHEBI:50109 +name: 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate +is_a: CHEBI:16158 ! steroid sulfate + +[Term] +id: CHEBI:50110 +name: isopiperitenone +is_a: CHEBI:26153 ! p-menthadien-3-one + +[Term] +id: CHEBI:50111 +name: deoxycholoyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA + +[Term] +id: CHEBI:50112 +name: sex hormone +is_a: CHEBI:24621 ! hormone + +[Term] +id: CHEBI:50113 +name: androgen +is_a: CHEBI:50112 ! sex hormone + +[Term] +id: CHEBI:50114 +name: estrogen +is_a: CHEBI:50112 ! sex hormone + +[Term] +id: CHEBI:50115 +name: hyponitrite(1-) +is_a: CHEBI:33458 ! nitrogen oxoanion + +[Term] +id: CHEBI:50116 +name: 4-hydroxy-3-octaprenylbenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid + +[Term] +id: CHEBI:50117 +name: phenylglyoxylyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:50118 +name: (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan +is_a: CHEBI:26377 ! pterocarpans +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:50121 +name: 1,2-thiazolidine +is_a: CHEBI:38333 ! thiazolidine + +[Term] +id: CHEBI:50126 +name: tetrasaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:50127 +name: trifluoromethyl group +is_a: CHEBI:50491 ! haloalkyl group + +[Term] +id: CHEBI:50129 +name: 2-hydroxyisobutyric acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:50130 +name: monacolin L +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:75885 ! 2-pyranones +relationship: has_role CHEBI:35664 ! EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor +relationship: has_role CHEBI:35821 ! anticholesteremic drug +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:50141 +name: bronchoconstrictor agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50157 +name: (5-hydroxyindol-3-yl)acetaldehyde +is_a: CHEBI:24823 ! indoleacetaldehyde +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50160 +name: steroid acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:50163 +name: alpha-glutamyl phosphate +is_a: CHEBI:21314 ! glutamyl phosphate + +[Term] +id: CHEBI:50164 +name: gamma-glutamyl phosphate +is_a: CHEBI:21314 ! glutamyl phosphate + +[Term] +id: CHEBI:50166 +name: D-gamma-glutamyl phosphate +is_a: CHEBI:50164 ! gamma-glutamyl phosphate + +[Term] +id: CHEBI:50168 +name: 3-hydroxypregnan-20-one +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:50169 +name: 3alpha-hydroxy-5alpha-pregnan-20-one +is_a: CHEBI:50170 ! 3-hydroxy-5alpha-pregnan-20-one +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:5017 +name: ferredoxin +is_a: CHEBI:35135 ! iron-sulfur protein +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:50170 +name: 3-hydroxy-5alpha-pregnan-20-one +is_a: CHEBI:50168 ! 3-hydroxypregnan-20-one + +[Term] +id: CHEBI:50171 +name: 3-hydroxy-5beta-pregnan-20-one +is_a: CHEBI:50168 ! 3-hydroxypregnan-20-one + +[Term] +id: CHEBI:50176 +name: keratolytic drug +is_a: CHEBI:50177 ! dermatologic drug + +[Term] +id: CHEBI:50177 +name: dermatologic drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50183 +name: P450 inhibitor +is_a: CHEBI:76898 ! EC 1.14.14.1 (unspecific monooxygenase) inhibitor + +[Term] +id: CHEBI:50185 +name: fatty acid synthesis inhibitor +is_a: CHEBI:76932 ! pathway inhibitor + +[Term] +id: CHEBI:50188 +name: provitamin +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:5019 +name: ferrichrome +is_a: CHEBI:61414 ! ferrichromes +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:50191 +name: trideoxyhexose +is_a: CHEBI:23628 ! deoxyhexose + +[Term] +id: CHEBI:50193 +name: quinone imine +is_a: CHEBI:24783 ! imine + +[Term] +id: CHEBI:50196 +name: dihydroxybenzaldehyde +is_a: CHEBI:22698 ! benzaldehydes +is_a: CHEBI:33570 ! benzenediols + +[Term] +id: CHEBI:50201 +name: (R)-naringenin +is_a: CHEBI:50202 ! naringenin + +[Term] +id: CHEBI:50202 +name: naringenin +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:38739 ! trihydroxyflavanone + +[Term] +id: CHEBI:50205 +name: 3,4-dihydroxybenzaldehyde +is_a: CHEBI:50196 ! dihydroxybenzaldehyde + +[Term] +id: CHEBI:50207 +name: sophoraflavanone B +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:140377 ! (2S)-flavan-4-one +is_a: CHEBI:38739 ! trihydroxyflavanone +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50208 +name: leachianone G +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:140377 ! (2S)-flavan-4-one +is_a: CHEBI:38742 ! tetrahydroxyflavanone + +[Term] +id: CHEBI:50209 +name: sophoraflavanone G +is_a: CHEBI:140331 ! 4'-hydroxyflavanones +is_a: CHEBI:140377 ! (2S)-flavan-4-one +is_a: CHEBI:38742 ! tetrahydroxyflavanone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:38068 ! antimalarial +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50210 +name: 7-methyl-GTP +is_a: CHEBI:37121 ! guanosine 5'-phosphate + +[Term] +id: CHEBI:50211 +name: retinol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26537 ! retinoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50215 +name: dihydrocarveol +is_a: CHEBI:25186 ! p-menthane monoterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:22153 ! acaricide +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50218 +name: EC 3.1.4.* (phosphoric diester hydrolase) inhibitor +is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor + +[Term] +id: CHEBI:50226 +name: 7-methyl-GTP(1+) +is_a: CHEBI:37121 ! guanosine 5'-phosphate + +[Term] +id: CHEBI:50232 +name: (+)-neoisodihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol + +[Term] +id: CHEBI:50233 +name: (+)-isodihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol + +[Term] +id: CHEBI:50235 +name: (+)-dihydrocarveol +is_a: CHEBI:50215 ! dihydrocarveol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50238 +name: 4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:50239 ! epsilon-lactone + +[Term] +id: CHEBI:50239 +name: epsilon-lactone +is_a: CHEBI:25000 ! lactone + +[Term] +id: CHEBI:50243 +name: 7-isopropyl-4-methyloxepan-2-one +is_a: CHEBI:50239 ! epsilon-lactone + +[Term] +id: CHEBI:50244 +name: (1R,2R,4S)-limonene-1,2-diol +is_a: CHEBI:17219 ! limonene-1,2-diol + +[Term] +id: CHEBI:50245 +name: (1R,4S)-1-hydroxylimonen-2-one +is_a: CHEBI:50246 ! 1-hydroxylimonen-2-one + +[Term] +id: CHEBI:50246 +name: 1-hydroxylimonen-2-one +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25040 ! limonene monoterpenoid + +[Term] +id: CHEBI:50247 +name: antidote +is_a: CHEBI:50267 ! protective agent + +[Term] +id: CHEBI:50248 +name: hematologic agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50249 +name: anticoagulant +is_a: CHEBI:50248 ! hematologic agent + +[Term] +id: CHEBI:50250 +name: (4R,7S)-7-isopropyl-4-methyloxepan-2-one +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:37668 ! terpene lactone +is_a: CHEBI:50243 ! 7-isopropyl-4-methyloxepan-2-one +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50253 +name: allofuranose +is_a: CHEBI:37690 ! allose + +[Term] +id: CHEBI:50254 +name: D-allofuranose +is_a: CHEBI:50253 ! allofuranose + +[Term] +id: CHEBI:50256 +name: beta-D-allofuranose +is_a: CHEBI:50254 ! D-allofuranose + +[Term] +id: CHEBI:50257 +name: L-allofuranose +is_a: CHEBI:50253 ! allofuranose + +[Term] +id: CHEBI:50259 +name: beta-L-allofuranose +is_a: CHEBI:50257 ! L-allofuranose + +[Term] +id: CHEBI:50260 +name: 5-methylthio-2-oxopentanoic acid +is_a: CHEBI:134529 ! omega-(methylthio)-2-oxocarboxylic acid + +[Term] +id: CHEBI:50261 +name: 2-(2-methylthioethyl)malic acid +is_a: CHEBI:134530 ! 2-(omega-methylthio)alkylmalic acid + +[Term] +id: CHEBI:50262 +name: 2-(3-methylthiopropyl)malic acid +is_a: CHEBI:134530 ! 2-(omega-methylthio)alkylmalic acid + +[Term] +id: CHEBI:50263 +name: 2-hydroxydicarboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:50266 +name: prodrug +is_a: CHEBI:136859 ! pro-agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50267 +name: protective agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50268 +name: GABA modulator +is_a: CHEBI:38632 ! membrane transport modulator +is_a: CHEBI:51374 ! GABA agent + +[Term] +id: CHEBI:50269 +name: EC 1.1.1.1 (alcohol dehydrogenase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + +[Term] +id: CHEBI:50271 +name: (1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:50272 +name: chrysanthemyl diphosphate +is_a: CHEBI:25412 ! monoterpenyl phosphate + +[Term] +id: CHEBI:50273 +name: (R,R)-chrysanthemyl diphosphate +is_a: CHEBI:50272 ! chrysanthemyl diphosphate + +[Term] +id: CHEBI:50274 +name: secoiridoid glycoside +is_a: CHEBI:139166 ! secoiridoid +is_a: CHEBI:61777 ! terpene glycoside + +[Term] +id: CHEBI:50276 +name: EC 5.99.1.2 (DNA topoisomerase) inhibitor +is_a: CHEBI:70727 ! topoisomerase inhibitor + +[Term] +id: CHEBI:50277 +name: farnesyl diphosphate +is_a: CHEBI:24018 ! farnesyl phosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:50279 +name: (1S,2S,3S)-prephytoene diphosphate +is_a: CHEBI:14885 ! prephytoene diphosphate + +[Term] +id: CHEBI:50281 +name: lavandulol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:25409 ! monoterpenoid +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50284 +name: lavandulyl diphosphate +is_a: CHEBI:46731 ! alkyl diphosphate + +[Term] +id: CHEBI:50297 +name: canonical nucleotide residue +is_a: CHEBI:50319 ! nucleotide residue + +[Term] +id: CHEBI:50298 +name: canonical deoxyribonucleotide residue +is_a: CHEBI:50297 ! canonical nucleotide residue + +[Term] +id: CHEBI:50299 +name: canonical ribonucleotide residue +is_a: CHEBI:50297 ! canonical nucleotide residue + +[Term] +id: CHEBI:50300 +name: thymidine 5'-monophosphate residue +is_a: CHEBI:50298 ! canonical deoxyribonucleotide residue + +[Term] +id: CHEBI:50302 +name: terpentetriene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:50303 +name: terpentedienyl diphosphate +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:36772 ! diterpenyl phosphate + +[Term] +id: CHEBI:50305 +name: podophyllotoxin +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:50307 ! furonaphthodioxole +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50176 ! keratolytic drug +relationship: has_role CHEBI:60832 ! tubulin modulator +relationship: has_role CHEBI:61951 ! microtubule-destabilising agent +relationship: has_role CHEBI:64911 ! antimitotic +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50306 +name: adenosine 5'-monophosphate residue +is_a: CHEBI:50299 ! canonical ribonucleotide residue + +[Term] +id: CHEBI:50307 +name: furonaphthodioxole +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:50308 +name: cytidine 5'-monophosphate residue +is_a: CHEBI:50299 ! canonical ribonucleotide residue + +[Term] +id: CHEBI:50312 +name: onium compound +is_a: CHEBI:37577 ! heteroatomic molecular entity + +[Term] +id: CHEBI:50313 +name: onium cation +is_a: CHEBI:50312 ! onium compound + +[Term] +id: CHEBI:50314 +name: fluoronium +is_a: CHEBI:50313 ! onium cation + +[Term] +id: CHEBI:50315 +name: chloronium +is_a: CHEBI:50313 ! onium cation + +[Term] +id: CHEBI:50316 +name: bromonium +is_a: CHEBI:50313 ! onium cation + +[Term] +id: CHEBI:50317 +name: iodonium +is_a: CHEBI:50313 ! onium cation + +[Term] +id: CHEBI:50319 +name: nucleotide residue +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:50320 +name: nucleoside residue +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:50321 +name: 2'-deoxycytidine 5'-monophosphate residue +is_a: CHEBI:50298 ! canonical deoxyribonucleotide residue + +[Term] +id: CHEBI:50322 +name: 2'-deoxyguanosine 5'-monophosphate residue +is_a: CHEBI:50298 ! canonical deoxyribonucleotide residue +is_a: CHEBI:60801 ! guanyl deoxyribonucleotide residue + +[Term] +id: CHEBI:50323 +name: 2'-deoxyadenosine 5'-monophosphate residue +is_a: CHEBI:50298 ! canonical deoxyribonucleotide residue +relationship: has_part CHEBI:139094 ! 2'-deoxyribose 5'-monophosphate residue + +[Term] +id: CHEBI:50324 +name: guanosine 5'-monophosphate residue +is_a: CHEBI:50299 ! canonical ribonucleotide residue + +[Term] +id: CHEBI:50325 +name: proteinogenic amino-acid side-chain group +is_a: CHEBI:33249 ! organyl group + +[Term] +id: CHEBI:50326 +name: sulfanylmethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50327 +name: selanylmethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50329 +name: 2-carboxyethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50330 +name: 2-amino-2-oxoethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50331 +name: 3-amino-3-oxopropyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50334 +name: pyridinium ion +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:50335 +name: organic nitrogen anion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:50336 +name: 4-hydroxybenzyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50337 +name: 1H-indol-3-ylmethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50338 +name: 1H-imidazol-4-ylmethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50339 +name: 4-aminobutyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50340 +name: 3-carbamimidamidopropyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50341 +name: 1-hydroxyethyl group +is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group + +[Term] +id: CHEBI:50342 +name: L-proline residue +is_a: CHEBI:32874 ! proline residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:50347 +name: L-asparagine residue +is_a: CHEBI:32664 ! asparagine residue +is_a: CHEBI:33700 ! proteinogenic amino-acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:50348 +name: L-asparaginyl group +is_a: CHEBI:22656 ! asparaginyl group +is_a: CHEBI:33716 ! N-terminal proteinogenic amino-acid residue + +[Term] +id: CHEBI:50349 +name: D-asparagine residue +is_a: CHEBI:32664 ! asparagine residue + +[Term] +id: CHEBI:50351 +name: cyclopropanecarboxylate ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:51454 ! cyclopropanes + +[Term] +id: CHEBI:50360 +name: (-)-1,2-campholide +is_a: CHEBI:488 ! 1,2-campholide + +[Term] +id: CHEBI:50361 +name: ketolactone +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:50367 +name: taxane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:50370 +name: parasympatholytic +is_a: CHEBI:48873 ! cholinergic antagonist + +[Term] +id: CHEBI:50371 +name: (R)-rosmarinic acid +is_a: CHEBI:17226 ! rosmarinic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50372 +name: (S)-rosmarinic acid +is_a: CHEBI:17226 ! rosmarinic acid + +[Term] +id: CHEBI:50375 +name: dihydromethanophenazine +is_a: CHEBI:39201 ! phenazines + +[Term] +id: CHEBI:50383 +name: nicotinamide mononucleotide +is_a: CHEBI:25527 ! nicotinamide nucleotide +is_a: CHEBI:26561 ! ribonucleotide + +[Term] +id: CHEBI:50387 +name: tuberculosinol +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:50388 +name: tuberculosinyl diphosphate +is_a: CHEBI:36772 ! diterpenyl phosphate + +[Term] +id: CHEBI:50389 +name: alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:50390 +name: EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor +is_a: CHEBI:76866 ! EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor + +[Term] +id: CHEBI:50398 +name: succinamic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:50401 +name: cholestanoid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:50402 +name: androstanoid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:50403 +name: ergostanoid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:50404 +name: lipoprotein cholesterol +is_a: CHEBI:50401 ! cholestanoid + +[Term] +id: CHEBI:50406 +name: probe +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:50408 +name: visual indicator +is_a: CHEBI:47867 ! indicator + +[Term] +id: CHEBI:50410 +name: colour indicator +is_a: CHEBI:50408 ! visual indicator + +[Term] +id: CHEBI:50411 +name: one-colour indicator +is_a: CHEBI:50410 ! colour indicator + +[Term] +id: CHEBI:50413 +name: hydroxyaldehyde +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:50418 +name: 4-hydroxyphenylglycine +is_a: CHEBI:24662 ! hydroxy-amino acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:50425 +name: inorganic disulfide +is_a: CHEBI:48343 ! disulfide + +[Term] +id: CHEBI:50427 +name: platelet aggregation inhibitor +is_a: CHEBI:50248 ! hematologic agent + +[Term] +id: CHEBI:50429 +name: (Z)-glutaconic acid +is_a: CHEBI:24309 ! glutaconic acid + +[Term] +id: CHEBI:50436 +name: 10beta-hydroxytaxa-4(20),11-dien-5alpha-yl acetate +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50367 ! taxane diterpenoid + +[Term] +id: CHEBI:50441 +name: N-substituted diamine +is_a: CHEBI:23666 ! diamine + +[Term] +id: CHEBI:50442 +name: N-substituted cadaverine +is_a: CHEBI:50441 ! N-substituted diamine + +[Term] +id: CHEBI:50445 +name: EC 3.5.4.4 (adenosine deaminase) inhibitor +is_a: CHEBI:76809 ! EC 3.5.4.* (non-peptide cyclic amidine C-N hydrolase) inhibitor + +[Term] +id: CHEBI:50446 +name: 3-(hydroxyamino)phenol +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:50447 +name: (S)-carnitinamide +is_a: CHEBI:48604 ! carnitinamide + +[Term] +id: CHEBI:50448 +name: naphthylamine +is_a: CHEBI:38034 ! aminonaphthalene +is_a: CHEBI:50471 ! primary arylamine + +[Term] +id: CHEBI:50450 +name: 1-naphthylamine +is_a: CHEBI:50448 ! naphthylamine +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:50451 +name: 6-hydroxy-3,7-dimethyloctanoic acid +is_a: CHEBI:24654 ! hydroxy fatty acid + +[Term] +id: CHEBI:50452 +name: 6-hydroxy-3-isopropenylheptanoic acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:50464 +name: cis-vaccenic acid +is_a: CHEBI:36023 ! vaccenic acid + +[Term] +id: CHEBI:50465 +name: 2-decenoic acid +is_a: CHEBI:36003 ! decenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:50467 +name: trans-2-decenoic acid +is_a: CHEBI:50465 ! 2-decenoic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50469 +name: EC 3.1.1.4 (phospholipase A2) inhibitor +is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor + +[Term] +id: CHEBI:50471 +name: primary arylamine +is_a: CHEBI:32877 ! primary amine +is_a: CHEBI:33860 ! aromatic amine + +[Term] +id: CHEBI:50477 +name: butyrate ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35748 ! fatty acid ester + +[Term] +id: CHEBI:50491 +name: haloalkyl group +is_a: CHEBI:33249 ! organyl group + +[Term] +id: CHEBI:50492 +name: thiocarbonyl compound +is_a: CHEBI:33261 ! organosulfur compound +relationship: has_part CHEBI:30256 ! thiocarbonyl group + +[Term] +id: CHEBI:50498 +name: vaccenate(1-) +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion + +[Term] +id: CHEBI:50502 +name: EC 2.5.1.15 (dihydropteroate synthase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor + +[Term] +id: CHEBI:50503 +name: laxative +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50504 +name: osmotic diuretic +is_a: CHEBI:35498 ! diuretic + +[Term] +id: CHEBI:50505 +name: sweetening agent +is_a: CHEBI:35617 ! flavouring agent + +[Term] +id: CHEBI:50509 +name: potassium channel blocker +is_a: CHEBI:50510 ! potassium channel modulator + +[Term] +id: CHEBI:50510 +name: potassium channel modulator +is_a: CHEBI:38632 ! membrane transport modulator + +[Term] +id: CHEBI:50511 +name: bipyridines +is_a: CHEBI:36820 ! ring assembly +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:64459 ! biaryl + +[Term] +id: CHEBI:50513 +name: mydriatic agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50514 +name: vasoconstrictor agent +is_a: CHEBI:35554 ! cardiovascular drug + +[Term] +id: CHEBI:50515 +name: 24-hydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol + +[Term] +id: CHEBI:50516 +name: (24R)-24-hydroxycholesterol +is_a: CHEBI:50515 ! 24-hydroxycholesterol +is_a: CHEBI:53030 ! oxysterol + +[Term] +id: CHEBI:50517 +name: 7alpha,24-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol + +[Term] +id: CHEBI:50519 +name: sulfoacetic acid +is_a: CHEBI:38031 ! carboxyalkanesulfonic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:50521 +name: N-methylnicotinic acid +is_a: CHEBI:50334 ! pyridinium ion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50523 +name: butenolide +is_a: CHEBI:24129 ! furans +is_a: CHEBI:37581 ! gamma-lactone + +[Term] +id: CHEBI:50524 +name: catecholate(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50525 +name: phenolate anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:50526 +name: phenolate +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:50528 +name: FMNH(.) +is_a: CHEBI:24041 ! flavin mononucleotide + +[Term] +id: CHEBI:50531 +name: (R)-beta-alanopine +is_a: CHEBI:15337 ! beta-alanopine + +[Term] +id: CHEBI:50532 +name: (S)-beta-alanopine +is_a: CHEBI:15337 ! beta-alanopine + +[Term] +id: CHEBI:50533 +name: protein denaturant +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:50540 +name: (S)-cis-N-methylcanadine +is_a: CHEBI:16512 ! (S)-N-methylcanadine + +[Term] +id: CHEBI:50542 +name: menthofuran +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:38830 ! 1-benzofurans +relationship: has_role CHEBI:25491 ! nematicide +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50544 +name: (-)-menthofuran +is_a: CHEBI:50542 ! menthofuran + +[Term] +id: CHEBI:50545 +name: trans-isoeugenol +is_a: CHEBI:18224 ! isoeugenol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:50547 +name: 3-(beta-D-ribofuranosyl)uric acid +is_a: CHEBI:50549 ! (beta-D-ribofuranosyl)uric acid + +[Term] +id: CHEBI:50549 +name: (beta-D-ribofuranosyl)uric acid +is_a: CHEBI:26399 ! purine ribonucleoside + +[Term] +id: CHEBI:50562 +name: tartrate salt +is_a: CHEBI:24868 ! organic salt + +[Term] +id: CHEBI:50563 +name: iridoid monoterpenoid +is_a: CHEBI:25409 ! monoterpenoid + +[Term] +id: CHEBI:50565 +name: N-acetyl-beta-D-glucosamine 6-phosphate +is_a: CHEBI:15784 ! N-acetyl-D-glucosamine 6-phosphate + +[Term] +id: CHEBI:50566 +name: nitric oxide donor +is_a: CHEBI:17891 ! donor + +[Term] +id: CHEBI:50570 +name: trans-2-octadecenoyl-CoA +is_a: CHEBI:139574 ! octadecenoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50571 +name: 3-oxooctadecanoyl-CoA +is_a: CHEBI:137599 ! long-chain 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50572 +name: trans-octadec-2-enoic acid +is_a: CHEBI:50573 ! octadec-2-enoic acid + +[Term] +id: CHEBI:50573 +name: octadec-2-enoic acid +is_a: CHEBI:25634 ! octadecenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:50574 +name: octadec-2-ene +is_a: CHEBI:37606 ! octadecene + +[Term] +id: CHEBI:50576 +name: 3-oxooctadecanoic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid + +[Term] +id: CHEBI:50578 +name: 3-hydroxyoctadecanoic acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:50582 +name: alkenyl alcohol +is_a: CHEBI:2571 ! aliphatic alcohol +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:50583 +name: 3-hydroxyoctadecanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50584 +name: alkyl alcohol +is_a: CHEBI:2571 ! aliphatic alcohol + +[Term] +id: CHEBI:50586 +name: 9xi-episterol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:50591 +name: 4beta-methylzymosterol-4alpha-carboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:50593 +name: 3-dehydro-4-methylzymosterol +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50599 +name: N(tele)-methyl-L-histidine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50601 +name: N(alpha)-methyl-L-histidine +is_a: CHEBI:21911 ! N(alpha)-methyl-L-histidines + +[Term] +id: CHEBI:50602 +name: precorrin-2 +is_a: CHEBI:26228 ! precorrin +is_a: CHEBI:52582 ! isobacteriochlorins +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:50604 +name: 5-(methylsulfanyl)-2,3-dioxopentyl phosphate +is_a: CHEBI:22327 ! aliphatic sulfide +is_a: CHEBI:36948 ! oxoalkyl phosphate +is_a: CHEBI:51869 ! alpha-diketone + +[Term] +id: CHEBI:50605 +name: 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate +is_a: CHEBI:22327 ! aliphatic sulfide +is_a: CHEBI:36948 ! oxoalkyl phosphate +is_a: CHEBI:36949 ! hydroxyalkyl phosphate +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:50606 +name: 2-hydroxy-3-oxobutyl phosphate +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:36948 ! oxoalkyl phosphate +is_a: CHEBI:36949 ! hydroxyalkyl phosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:50608 +name: (2S)-2-hydroxy-3-oxobutyl phosphate +is_a: CHEBI:50606 ! 2-hydroxy-3-oxobutyl phosphate + +[Term] +id: CHEBI:50612 +name: (R)-2-hydroxybutyric acid +is_a: CHEBI:1148 ! 2-hydroxybutyric acid + +[Term] +id: CHEBI:50613 +name: (S)-2-hydroxybutyric acid +is_a: CHEBI:1148 ! 2-hydroxybutyric acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:50616 +name: iminoaspartic acid +is_a: CHEBI:22661 ! aspartic acid derivative +is_a: CHEBI:33272 ! ketimine +is_a: CHEBI:66873 ! C4-dicarboxylic acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:50621 +name: gamma-glutamylalanine +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:506227 +name: N-acetyl-D-glucosamine +is_a: CHEBI:21601 ! N-acetyl-D-hexosamine +is_a: CHEBI:59640 ! N-acetylglucosamine +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:50626 +name: 2-hydroxyhexadecanal +is_a: CHEBI:133318 ! hydroxy fatty aldehyde +is_a: CHEBI:17176 ! long-chain fatty aldehyde +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:50627 +name: EC 3.2.1.1 (alpha-amylase) inhibitor +is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor + +[Term] +id: CHEBI:50629 +name: cyclooxygenase 2 inhibitor +is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor + +[Term] +id: CHEBI:50630 +name: cyclooxygenase 1 inhibitor +is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor + +[Term] +id: CHEBI:50646 +name: bone density conservation agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50648 +name: 9-cis-retinoic acid +is_a: CHEBI:26536 ! retinoic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50176 ! keratolytic drug +relationship: has_role CHEBI:63794 ! retinoid X receptor agonist + +[Term] +id: CHEBI:50660 +name: 7-deazaguanine ribonucleoside +is_a: CHEBI:18254 ! ribonucleoside + +[Term] +id: CHEBI:50661 +name: loliose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:50667 +name: mercaptopurine +is_a: CHEBI:26401 ! purines +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:50671 +name: antithyroid drug +is_a: CHEBI:49020 ! hormone antagonist + +[Term] +id: CHEBI:50674 +name: chitobioses +is_a: CHEBI:22480 ! amino disaccharide + +[Term] +id: CHEBI:50675 +name: beta-D-glucosaminyl-(1->4)-D-glucosamine +is_a: CHEBI:50674 ! chitobioses + +[Term] +id: CHEBI:50680 +name: methotrexate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:50681 +name: methotrexate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:50683 +name: EC 1.5.1.3 (dihydrofolate reductase) inhibitor +is_a: CHEBI:73913 ! antifolate +is_a: CHEBI:76863 ! EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor + +[Term] +id: CHEBI:50684 +name: cross-linking reagent +is_a: CHEBI:33893 ! reagent + +[Term] +id: CHEBI:50689 +name: reproductive control drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50691 +name: abortifacient +is_a: CHEBI:50689 ! reproductive control drug + +[Term] +id: CHEBI:50694 +name: minocycline +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26895 ! tetracyclines +is_a: CHEBI:48132 ! tetracenomycin +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:50695 +name: monobactam +is_a: CHEBI:27933 ! beta-lactam antibiotic + +[Term] +id: CHEBI:50699 +name: oligosaccharide +is_a: CHEBI:16646 ! carbohydrate + +[Term] +id: CHEBI:5070 +name: flavanone +is_a: CHEBI:28863 ! flavanones + +[Term] +id: CHEBI:50700 +name: 5-(methylsulfanyl)pentanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:50701 +name: 6-(methylsulfanyl)hexanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime + +[Term] +id: CHEBI:50702 +name: 7-(methylsulfanyl)heptanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime + +[Term] +id: CHEBI:50703 +name: 8-(methylsulfanyl)octanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime + +[Term] +id: CHEBI:50704 +name: 9-(methylsulfanyl)nonanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime + +[Term] +id: CHEBI:50707 +name: homomethionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:50710 +name: dihomomethionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:50711 +name: trihomomethionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:50712 +name: tetrahomomethionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:50713 +name: pentahomomethionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:50714 +name: hexahomomethionine +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +is_a: CHEBI:86315 ! methyl sulfide + +[Term] +id: CHEBI:50715 +name: methylnaphthalene +is_a: CHEBI:25477 ! naphthalenes + +[Term] +id: CHEBI:50723 +name: (Z)-phenylacetaldehyde oxime +is_a: CHEBI:47791 ! phenylacetaldehyde oxime + +[Term] +id: CHEBI:50725 +name: 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phosphate +is_a: CHEBI:16266 ! 2,3-bis-O-(geranylgeranyl)glycerol 1-phosphate + +[Term] +id: CHEBI:50726 +name: CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol +is_a: CHEBI:47784 ! nucleotide conjugate + +[Term] +id: CHEBI:50733 +name: nutraceutical +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:507393 +name: taurine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:50745 +name: progestogen +is_a: CHEBI:50112 ! sex hormone + +[Term] +id: CHEBI:50746 +name: N(6)-dihydrolipoyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:50748 +name: antipsoriatic +is_a: CHEBI:50177 ! dermatologic drug + +[Term] +id: CHEBI:507499 +name: tricetin +is_a: CHEBI:25883 ! pentahydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:50750 +name: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor +is_a: CHEBI:70727 ! topoisomerase inhibitor + +[Term] +id: CHEBI:50751 +name: anti-estrogen +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50753 +name: isoflavonoid +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:38443 ! 1-benzopyran +is_a: CHEBI:72544 ! flavonoids + +[Term] +id: CHEBI:50754 +name: cyclohexanecarboxylate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:50758 +name: N-hydroxydihomomethionine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:50759 +name: N-formyl amino acid +is_a: CHEBI:51569 ! N-acyl-amino acid + +[Term] +id: CHEBI:50760 +name: N-hydroxy-alpha-amino-acid +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:24709 ! hydroxylamines + +[Term] +id: CHEBI:50761 +name: N-hydroxytrihomomethionine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:50762 +name: N-hydroxytetrahomomethionine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:50763 +name: N-hydroxypentahomomethionine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:50764 +name: N-hydroxyhexahomomethionine +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:50765 +name: N,N-dihydroxyhexahomomethionine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid + +[Term] +id: CHEBI:50766 +name: N,N-dihydroxy-alpha-amino acid +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid + +[Term] +id: CHEBI:50767 +name: N,N-dihydroxydihomomethionine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid + +[Term] +id: CHEBI:50768 +name: N,N-dihydroxytrihomomethionine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid + +[Term] +id: CHEBI:50769 +name: N,N-dihydroxytetrahomomethionine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid + +[Term] +id: CHEBI:50770 +name: N,N-dihydroxypentahomomethionine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid + +[Term] +id: CHEBI:50774 +name: 2-decaprenyl-6-methoxyphenol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50775 +name: 3-decaprenyl-4,5-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50776 +name: 3-decaprenyl-4-hydroxy-5-methoxybenzoic acid +is_a: CHEBI:25238 ! methoxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:50779 +name: appetite enhancer +is_a: CHEBI:50780 ! appetite regulator + +[Term] +id: CHEBI:5078 +name: flavonol +is_a: CHEBI:28802 ! flavonols +is_a: CHEBI:38687 ! monohydroxyflavone + +[Term] +id: CHEBI:50780 +name: appetite regulator +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50781 +name: EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor +is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor + +[Term] +id: CHEBI:50783 +name: ent-isokaurene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:50786 +name: anabolic androgenic steroid +is_a: CHEBI:26764 ! steroid hormone +relationship: has_role CHEBI:36413 ! anabolic agent +relationship: has_role CHEBI:50113 ! androgen + +[Term] +id: CHEBI:50787 +name: L-erythro-3-methylmalic acid +is_a: CHEBI:23948 ! erythro-3-methylmalic acid + +[Term] +id: CHEBI:50789 +name: (3S)-3-hydroxy-L-asparagine +is_a: CHEBI:52987 ! L-asparagine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:50790 +name: EC 1.14.14.14 (aromatase) inhibitor +is_a: CHEBI:76838 ! EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor + +[Term] +id: CHEBI:50793 +name: 2-methyl-3-oxosuccinic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid + +[Term] +id: CHEBI:50830 +name: fluorinated steroid +is_a: CHEBI:35341 ! steroid +is_a: CHEBI:37143 ! organofluorine compound + +[Term] +id: CHEBI:50846 +name: immunomodulator +is_a: CHEBI:23888 ! drug +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:50847 +name: immunological adjuvant +is_a: CHEBI:50846 ! immunomodulator +is_a: CHEBI:60809 ! adjuvant + +[Term] +id: CHEBI:50855 +name: antiatherogenic agent +is_a: CHEBI:35554 ! cardiovascular drug + +[Term] +id: CHEBI:50857 +name: anti-allergic agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50858 +name: corticosteroid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:50860 +name: organic molecular entity +is_a: CHEBI:33582 ! carbon group molecular entity +relationship: has_part CHEBI:27594 ! carbon atom + +[Term] +id: CHEBI:50864 +name: insulin-sensitizing drug +is_a: CHEBI:35526 ! hypoglycemic agent +is_a: CHEBI:48705 ! agonist +is_a: CHEBI:70781 ! PPAR modulator + +[Term] +id: CHEBI:50871 +name: valerate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:50887 +name: haloarene +is_a: CHEBI:24472 ! halohydrocarbon + +[Term] +id: CHEBI:50893 +name: azaarene +is_a: CHEBI:33833 ! heteroarene +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:50902 +name: genotoxin +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:50903 +name: carcinogenic agent +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:50904 +name: allergen +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:50905 +name: teratogenic agent +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:50906 +name: role + +[Term] +id: CHEBI:50908 +name: hepatotoxic agent +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:50909 +name: nephrotoxic agent +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:50910 +name: neurotoxin +is_a: CHEBI:52209 ! aetiopathogenetic role +is_a: CHEBI:64909 ! poison + +[Term] +id: CHEBI:50912 +name: cardiotoxic agent +is_a: CHEBI:52209 ! aetiopathogenetic role + +[Term] +id: CHEBI:50914 +name: EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor +is_a: CHEBI:50916 ! lipid kinase inhibitor +is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor + +[Term] +id: CHEBI:50916 +name: lipid kinase inhibitor +is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor + +[Term] +id: CHEBI:50918 +name: pyrroloquinoline +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:50919 +name: antiemetic +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50920 +name: 2D-2,3,5/4,6-pentahydroxycyclohexanone +is_a: CHEBI:25881 ! pentahydroxycyclohexanone + +[Term] +id: CHEBI:50923 +name: 5-deoxy-D-glucuronic acid +is_a: CHEBI:33886 ! glucuronic acids + +[Term] +id: CHEBI:50925 +name: EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor +is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor + +[Term] +id: CHEBI:50926 +name: angiogenesis modulating agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:50927 +name: angiogenesis inducing agent +is_a: CHEBI:50926 ! angiogenesis modulating agent + +[Term] +id: CHEBI:50934 +name: N-acyl-Delta(8)-phytosphingenine +is_a: CHEBI:139051 ! phytoceramide + +[Term] +id: CHEBI:50948 +name: (2S,3S)-2-methylcitric acid +is_a: CHEBI:30835 ! 2-methylcitric acid + +[Term] +id: CHEBI:50949 +name: serotonin uptake inhibitor +is_a: CHEBI:48278 ! serotonergic drug + +[Term] +id: CHEBI:50955 +name: arsonic acids +is_a: CHEBI:33407 ! arsenic oxoacid + +[Term] +id: CHEBI:50956 +name: organoarsonic acid anion +is_a: CHEBI:33406 ! organoarsenic compound + +[Term] +id: CHEBI:50967 +name: non-covalently-bound molecular entity +is_a: CHEBI:36357 ! polyatomic entity + +[Term] +id: CHEBI:50972 +name: 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:36942 ! pterin phosphate +is_a: CHEBI:38797 ! dihydropterin + +[Term] +id: CHEBI:50981 +name: secondary aliphatic amine +is_a: CHEBI:32863 ! secondary amine + +[Term] +id: CHEBI:50994 +name: primary amino compound +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:50995 +name: secondary amino compound +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:50996 +name: tertiary amino compound +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:50998 +name: trans-2-enoyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA + +[Term] +id: CHEBI:51006 +name: unsaturated fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA + +[Term] +id: CHEBI:51013 +name: beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36541 ! sialotriaosylceramide +is_a: CHEBI:79217 ! N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:51014 +name: (S)-styrene oxide +is_a: CHEBI:17907 ! styrene oxide + +[Term] +id: CHEBI:51022 +name: 1,3-dihydro-2H-imidazol-2-one +is_a: CHEBI:24781 ! imidazolinone + +[Term] +id: CHEBI:51026 +name: macrocycle +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:51031 +name: organic calcium salt +is_a: CHEBI:24868 ! organic salt + +[Term] +id: CHEBI:51039 +name: dopamine uptake inhibitor +is_a: CHEBI:48560 ! dopaminergic agent + +[Term] +id: CHEBI:51051 +name: N-(3-acetamidopropyl)-4-aminobutanal +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde + +[Term] +id: CHEBI:51057 +name: 3-phenylpropionate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:51060 +name: hormone agonist +is_a: CHEBI:48705 ! agonist +is_a: CHEBI:51061 ! hormone receptor modulator + +[Term] +id: CHEBI:51061 +name: hormone receptor modulator +is_a: CHEBI:23888 ! drug +is_a: CHEBI:90710 ! receptor modulator + +[Term] +id: CHEBI:51069 +name: organic halide salt +is_a: CHEBI:24868 ! organic salt + +[Term] +id: CHEBI:51075 +name: sophorolipid +is_a: CHEBI:33563 ! glycolipid + +[Term] +id: CHEBI:51078 +name: 13-sophorosyloxydocosanoate 6',6''-diacetate +is_a: CHEBI:51075 ! sophorolipid + +[Term] +id: CHEBI:51080 +name: nitrate ester +is_a: CHEBI:36963 ! organooxygen compound +is_a: CHEBI:51081 ! nitrates + +[Term] +id: CHEBI:51081 +name: nitrates +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:51086 +name: chemical role +is_a: CHEBI:50906 ! role + +[Term] +id: CHEBI:51119 +name: tricyclic hydrocarbon +is_a: CHEBI:33666 ! polycyclic hydrocarbon + +[Term] +id: CHEBI:51120 +name: ortho- and peri-fused tricyclic hydrocarbon +is_a: CHEBI:51119 ! tricyclic hydrocarbon + +[Term] +id: CHEBI:51121 +name: fluorescent dye +is_a: CHEBI:37958 ! dye + +[Term] +id: CHEBI:51129 +name: nitrohydrocarbon +is_a: CHEBI:35716 ! C-nitro compound + +[Term] +id: CHEBI:51132 +name: nitroarene +is_a: CHEBI:51129 ! nitrohydrocarbon + +[Term] +id: CHEBI:51143 +name: nitrogen molecular entity +is_a: CHEBI:33302 ! pnictogen molecular entity +relationship: has_part CHEBI:25555 ! nitrogen atom + +[Term] +id: CHEBI:51144 +name: nitrogen group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:51149 +name: xanthones +is_a: CHEBI:38835 ! xanthenes +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:5115 +name: monofluorobenzene +is_a: CHEBI:83575 ! monofluorobenzenes + +[Term] +id: CHEBI:51151 +name: dipolar compound +is_a: CHEBI:72695 ! organic molecule + +[Term] +id: CHEBI:51177 +name: antitussive +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:5118 +name: fluoxetine +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:86991 ! (R)-fluoxetine +relationship: has_part CHEBI:86992 ! (S)-fluoxetine +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:35480 ! analgesic +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor +relationship: has_role CHEBI:78298 ! environmental contaminant +relationship: has_role CHEBI:88188 ! drug allergen + +[Term] +id: CHEBI:51197 +name: calixaromatic +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:51026 ! macrocycle + +[Term] +id: CHEBI:51214 +name: diamminedichloroplatinum +is_a: CHEBI:33862 ! platinum coordination entity + +[Term] +id: CHEBI:51269 +name: acenes +is_a: CHEBI:33836 ! benzenoid aromatic compound + +[Term] +id: CHEBI:51270 +name: tetracenes +is_a: CHEBI:51269 ! acenes + +[Term] +id: CHEBI:51276 +name: thioureas +is_a: CHEBI:50492 ! thiocarbonyl compound + +[Term] +id: CHEBI:51277 +name: thioester +is_a: CHEBI:26959 ! thiocarboxylic ester +is_a: CHEBI:36586 ! carbonyl compound + +[Term] +id: CHEBI:51282 +name: 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid +is_a: CHEBI:63394 ! ketoaldonic acid derivative + +[Term] +id: CHEBI:51283 +name: hydroxypyruvaldehyde phosphate +is_a: CHEBI:27659 ! 2-oxo aldehyde + +[Term] +id: CHEBI:51284 +name: 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate + +[Term] +id: CHEBI:51285 +name: acenoquinone +is_a: CHEBI:36141 ! quinone +is_a: CHEBI:51269 ! acenes + +[Term] +id: CHEBI:51286 +name: tetracenequinones +is_a: CHEBI:51285 ! acenoquinone +is_a: CHEBI:51958 ! organic polycyclic compound + +[Term] +id: CHEBI:513 +name: 1,3,4,6-tetrachlorocyclohexa-1,4-diene +is_a: CHEBI:39482 ! chloroolefin + +[Term] +id: CHEBI:5130 +name: flurbiprofen +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38679 ! fluorobiphenyl +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:35493 ! antipyretic +relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor + +[Term] +id: CHEBI:51307 +name: diester +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:51308 +name: dinitrile +is_a: CHEBI:18379 ! nitrile + +[Term] +id: CHEBI:51309 +name: N(2)-succinyl-L-citrulline +is_a: CHEBI:21815 ! N2-acyl-L-ornithine + +[Term] +id: CHEBI:51310 +name: futalosine +is_a: CHEBI:24844 ! inosines + +[Term] +id: CHEBI:51312 +name: dehypoxanthine futalosine +is_a: CHEBI:22723 ! benzoic acids + +[Term] +id: CHEBI:51316 +name: haloethene +is_a: CHEBI:5610 ! haloalkene + +[Term] +id: CHEBI:51323 +name: cinchona alkaloid +is_a: CHEBI:26509 ! quinoline alkaloid + +[Term] +id: CHEBI:51324 +name: vinylarene +is_a: CHEBI:33658 ! arene + +[Term] +id: CHEBI:51333 +name: sulfenic acid derivative +is_a: CHEBI:33424 ! sulfur oxoacid derivative + +[Term] +id: CHEBI:51334 +name: SO-thioperoxol +is_a: CHEBI:37864 ! thioperoxol +is_a: CHEBI:51333 ! sulfenic acid derivative + +[Term] +id: CHEBI:51337 +name: organic sulfate salt +is_a: CHEBI:24868 ! organic salt +is_a: CHEBI:35175 ! sulfate salt + +[Term] +id: CHEBI:51339 +name: adamantanes +is_a: CHEBI:35294 ! carbopolycyclic compound + +[Term] +id: CHEBI:51340 +name: pristanic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:51341 +name: pristanoyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:51349 +name: polyamine macromolecule +is_a: CHEBI:33839 ! macromolecule +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:51353 +name: N-carbamoyl-L-alpha-amino acid +is_a: CHEBI:21686 ! N-carbamoyl-L-amino acid + +[Term] +id: CHEBI:51354 +name: benzylpenicillin(1-) +is_a: CHEBI:51356 ! penicillinate anion + +[Term] +id: CHEBI:51356 +name: penicillinate anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:47811 ! penamcarboxylate + +[Term] +id: CHEBI:51371 +name: muscle relaxant +is_a: CHEBI:51372 ! neuromuscular agent + +[Term] +id: CHEBI:51372 +name: neuromuscular agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:51373 +name: GABA agonist +is_a: CHEBI:51374 ! GABA agent + +[Term] +id: CHEBI:51374 +name: GABA agent +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:51384 +name: D-ascorbic acid +is_a: CHEBI:22652 ! ascorbic acid + +[Term] +id: CHEBI:51387 +name: calix(hetero)arene +is_a: CHEBI:51197 ! calixaromatic + +[Term] +id: CHEBI:51389 +name: calixpyrroles +is_a: CHEBI:51387 ! calix(hetero)arene + +[Term] +id: CHEBI:51422 +name: organodiyl group +is_a: CHEBI:51446 ! organic divalent group + +[Term] +id: CHEBI:51440 +name: L-isoascorbic acid +is_a: CHEBI:22652 ! ascorbic acid + +[Term] +id: CHEBI:51446 +name: organic divalent group +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:51447 +name: organic univalent group +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:51453 +name: (S)-carnitinium +is_a: CHEBI:3424 ! carnitinium +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:51454 +name: cyclopropanes +is_a: CHEBI:33598 ! carbocyclic compound + +[Term] +id: CHEBI:51458 +name: (+)-epi-isozizaene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:51460 +name: albaflavenone +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:36130 ! cyclic terpene ketone +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:49319 ! carbocyclic antibiotic +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:51475 +name: naphthohydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:24727 ! hydroxynaphthalene + +[Term] +id: CHEBI:51478 +name: albaflavenol +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:51479 +name: (5R)-albaflavenol +is_a: CHEBI:51478 ! albaflavenol + +[Term] +id: CHEBI:51480 +name: (5S)-albaflavenol +is_a: CHEBI:51478 ! albaflavenol + +[Term] +id: CHEBI:51507 +name: benzil +is_a: CHEBI:51869 ! alpha-diketone +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:51509 +name: (R)-benzoin +is_a: CHEBI:17682 ! benzoin + +[Term] +id: CHEBI:51510 +name: (S)-benzoin +is_a: CHEBI:17682 ! benzoin + +[Term] +id: CHEBI:51545 +name: 1,2-benzoxazoles +is_a: CHEBI:51549 ! benzisoxazole + +[Term] +id: CHEBI:51549 +name: benzisoxazole +is_a: CHEBI:46700 ! benzoxazole + +[Term] +id: CHEBI:51569 +name: N-acyl-amino acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:51570 +name: biotins +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38295 ! azabicycloalkane +is_a: CHEBI:38297 ! thiabicycloalkane +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:51571 +name: diphenylethane +is_a: CHEBI:33836 ! benzenoid aromatic compound + +[Term] +id: CHEBI:51586 +name: benzoins +is_a: CHEBI:33854 ! aromatic alcohol +is_a: CHEBI:51571 ! diphenylethane +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:51614 +name: diarylmethane +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:51625 +name: indolinone +is_a: CHEBI:24829 ! indolones + +[Term] +id: CHEBI:51652 +name: dithianes +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:38106 ! organosulfur heterocyclic compound + +[Term] +id: CHEBI:51681 +name: dimethoxybenzene +is_a: CHEBI:51683 ! methoxybenzenes + +[Term] +id: CHEBI:51683 +name: methoxybenzenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:35618 ! aromatic ether + +[Term] +id: CHEBI:51688 +name: enal +is_a: CHEBI:51718 ! alpha,beta-unsaturated aldehyde +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:51689 +name: enone +is_a: CHEBI:51721 ! alpha,beta-unsaturated ketone +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:51702 +name: enoate ester +is_a: CHEBI:51737 ! alpha,beta-unsaturated carboxylic ester +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:51703 +name: glyoxylate group +is_a: CHEBI:33249 ! organyl group +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:51704 +name: glyoxylates +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_part CHEBI:51703 ! glyoxylate group + +[Term] +id: CHEBI:51705 +name: octacarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:5171 +name: friedelin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:36130 ! cyclic terpene ketone +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:35493 ! antipyretic +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:51718 +name: alpha,beta-unsaturated aldehyde +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:51720 +name: ynal +is_a: CHEBI:51718 ! alpha,beta-unsaturated aldehyde +is_a: CHEBI:73474 ! acetylenic compound + +[Term] +id: CHEBI:51721 +name: alpha,beta-unsaturated ketone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:51732 +name: cycloheptatriene +is_a: CHEBI:36402 ! cycloalkatriene + +[Term] +id: CHEBI:51737 +name: alpha,beta-unsaturated carboxylic ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:51750 +name: alpha,beta-unsaturated carboxylic acid amide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:51751 +name: enamide +is_a: CHEBI:51750 ! alpha,beta-unsaturated carboxylic acid amide +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:51793 +name: (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate +is_a: CHEBI:18299 ! 1-C-(indol-3-yl)glycerol 3-phosphate + +[Term] +id: CHEBI:51802 +name: 4H-imidazole +is_a: CHEBI:14434 ! imidazole + +[Term] +id: CHEBI:51822 +name: 3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid +is_a: CHEBI:24963 ! ketoaldonic acid + +[Term] +id: CHEBI:51824 +name: N-(3-aminopropyl)-4-aminobutanal +is_a: CHEBI:17062 ! primary aliphatic amine +is_a: CHEBI:50981 ! secondary aliphatic amine +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde + +[Term] +id: CHEBI:51833 +name: beta-D-fructofuranosyl alpha-D-mannopyranoside +is_a: CHEBI:24407 ! glycosyl glycoside + +[Term] +id: CHEBI:51834 +name: beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate +is_a: CHEBI:23843 ! disaccharide phosphate + +[Term] +id: CHEBI:51835 +name: microthecin +is_a: CHEBI:131907 ! 3-pyrones +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:51836 +name: 3,3'-biflaviolin +is_a: CHEBI:36820 ! ring assembly + +[Term] +id: CHEBI:51837 +name: 3,8'-biflaviolin +is_a: CHEBI:36820 ! ring assembly + +[Term] +id: CHEBI:51847 +name: ketoester +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:51848 +name: alpha-ketoester +is_a: CHEBI:51847 ! ketoester + +[Term] +id: CHEBI:51849 +name: beta-ketoester +is_a: CHEBI:51847 ! ketoester + +[Term] +id: CHEBI:51851 +name: ketonitrile +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:18379 ! nitrile + +[Term] +id: CHEBI:51852 +name: alpha-ketonitrile +is_a: CHEBI:51851 ! ketonitrile + +[Term] +id: CHEBI:51853 +name: benzoyl cyanide +is_a: CHEBI:51852 ! alpha-ketonitrile +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:51856 +name: methylphenidate(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:51857 +name: methyl (S)-phenyl[(S)-piperidin-2-yl]acetate +is_a: CHEBI:84276 ! methyl phenyl(piperidin-2-yl)acetate + +[Term] +id: CHEBI:51860 +name: dexmethylphenidate +is_a: CHEBI:84276 ! methyl phenyl(piperidin-2-yl)acetate +relationship: has_role CHEBI:37962 ! adrenergic agent + +[Term] +id: CHEBI:51867 +name: methyl ketone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:51869 +name: alpha-diketone +is_a: CHEBI:46640 ! diketone + +[Term] +id: CHEBI:51877 +name: bisindole +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:51879 +name: bisindole alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:51877 ! bisindole + +[Term] +id: CHEBI:51914 +name: organic heterohexacyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:51915 +name: indolocarbazole +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:51921 +name: heptadienal +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:51922 +name: (E,E)-7-hydroxy-6-methylhepta-3,5-dienal +is_a: CHEBI:51921 ! heptadienal + +[Term] +id: CHEBI:519567 +name: 2'-O-methylisoliquiritigenin +is_a: CHEBI:23086 ! chalcones +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:51958 +name: organic polycyclic compound +is_a: CHEBI:33635 ! polycyclic compound +is_a: CHEBI:33832 ! organic cyclic compound + +[Term] +id: CHEBI:51959 +name: organic tricyclic compound +is_a: CHEBI:51958 ! organic polycyclic compound + +[Term] +id: CHEBI:51961 +name: sesquarterpenoid +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:51963 +name: hopanoid +is_a: CHEBI:36615 ! triterpenoid + +[Term] +id: CHEBI:51967 +name: monochlorobenzoic acid +is_a: CHEBI:23134 ! chlorobenzoic acid +is_a: CHEBI:83403 ! monochlorobenzenes + +[Term] +id: CHEBI:51972 +name: 12'-apo-carotenal +is_a: CHEBI:23041 ! carotenal + +[Term] +id: CHEBI:51973 +name: 9-cis-epoxycarotenoid +is_a: CHEBI:23043 ! epoxycarotenoid + +[Term] +id: CHEBI:51978 +name: oxonium betaine +is_a: CHEBI:35281 ! onium betaine + +[Term] +id: CHEBI:51985 +name: alpha-linolenoyl-CoA +is_a: CHEBI:139576 ! octadecatrienoyl-CoA +is_a: CHEBI:76184 ! alpha-linolenoyl bioconjugate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52020 +name: 6-decylubiquinone +is_a: CHEBI:132124 ! 1,4-benzoquinones + +[Term] +id: CHEBI:52021 +name: 6-decylubiquinol +is_a: CHEBI:24646 ! hydroquinones + +[Term] +id: CHEBI:52022 +name: taurohyocholic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid +is_a: CHEBI:37793 ! amino sulfonic acid + +[Term] +id: CHEBI:52023 +name: hyodeoxycholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36248 ! 5beta-cholanic acids +is_a: CHEBI:363227 ! 6alpha,20xi-murideoxycholic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52025 +name: 8-hydroxyfurocoumarin +is_a: CHEBI:24128 ! furanocoumarin + +[Term] +id: CHEBI:52026 +name: amorpha-4,11-diene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:52028 +name: 8-methoxyfurocoumarin +is_a: CHEBI:24128 ! furanocoumarin + +[Term] +id: CHEBI:52030 +name: murideoxycholic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52031 +name: glycochenodeoxycholic acid 7-sulfate +is_a: CHEBI:52035 ! sulfooxy steroid + +[Term] +id: CHEBI:52035 +name: sulfooxy steroid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:52043 +name: 7-methyl-3-oxooct-6-enoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:52045 +name: 2-oxo-1,2-dihydroquinoline-4-carboxylic acid +is_a: CHEBI:26512 ! quinolinemonocarboxylic acid + +[Term] +id: CHEBI:52048 +name: 2,3,5,6-tetrachlorophenol +is_a: CHEBI:52049 ! tetrachlorophenol + +[Term] +id: CHEBI:52049 +name: tetrachlorophenol +is_a: CHEBI:23150 ! chlorophenol +is_a: CHEBI:26888 ! tetrachlorobenzene + +[Term] +id: CHEBI:52050 +name: (24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:27458 ! 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA + +[Term] +id: CHEBI:52051 +name: benzyl acetate +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:90628 ! benzyl ester +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:52052 +name: phenylacetone +is_a: CHEBI:26292 ! propanones +is_a: CHEBI:51867 ! methyl ketone + +[Term] +id: CHEBI:52057 +name: N-acetylphosphinothricin +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:26044 ! phosphinic acids + +[Term] +id: CHEBI:52058 +name: 5-hydroxyfurocoumarin +is_a: CHEBI:24128 ! furanocoumarin + +[Term] +id: CHEBI:52061 +name: 5-methoxyfurocoumarin +is_a: CHEBI:24128 ! furanocoumarin + +[Term] +id: CHEBI:52069 +name: 3,5-dihydroxybiphenyl +is_a: CHEBI:22888 ! biphenyls + +[Term] +id: CHEBI:52070 +name: senecionine N-oxide +is_a: CHEBI:134363 ! tertiary amine oxide + +[Term] +id: CHEBI:52075 +name: all-trans-13,14-dihydroretinol +is_a: CHEBI:50211 ! retinol + +[Term] +id: CHEBI:52076 +name: gibberellin A3 O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:52079 +name: N-acetyl-D-hexosamine 1-phosphate +is_a: CHEBI:24584 ! hexosamine phosphate + +[Term] +id: CHEBI:52086 +name: glyceollin III +is_a: CHEBI:52130 ! benzofuropyranochromene +relationship: has_role CHEBI:26115 ! phytoalexin +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:50751 ! anti-estrogen + +[Term] +id: CHEBI:52090 +name: methoxide +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52092 +name: ethoxide +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52094 +name: peroxy acid +is_a: CHEBI:24833 ! oxoacid + +[Term] +id: CHEBI:52127 +name: (-)-glyceollin II +is_a: CHEBI:52130 ! benzofuropyranochromene +relationship: has_role CHEBI:26115 ! phytoalexin + +[Term] +id: CHEBI:52130 +name: benzofuropyranochromene +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38164 ! organic heteropentacyclic compound + +[Term] +id: CHEBI:52135 +name: steroidal acyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:52136 +name: phosphinothricin +is_a: CHEBI:26044 ! phosphinic acids +relationship: has_role CHEBI:24527 ! herbicide + +[Term] +id: CHEBI:52138 +name: 4-O-phosphohygromycin B +is_a: CHEBI:36974 ! aminoglycoside phosphate +is_a: CHEBI:71989 ! ortho ester + +[Term] +id: CHEBI:52142 +name: flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:52143 +name: flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:52144 +name: flavonol 7-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:50018 ! glycosyloxyflavone + +[Term] +id: CHEBI:52157 +name: organic heteroheptacyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:52206 +name: biochemical role +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:52208 +name: biophysical role +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:52209 +name: aetiopathogenetic role +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:52210 +name: pharmacological role +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:52211 +name: physiological role +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:52214 +name: ligand +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:52215 +name: photochemical role +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:52216 +name: photobiochemical role +is_a: CHEBI:52206 ! biochemical role +is_a: CHEBI:52215 ! photochemical role + +[Term] +id: CHEBI:52217 +name: pharmaceutical +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:52221 +name: isothiocyanate +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:52222 +name: (2R)-homocitric acid +is_a: CHEBI:17852 ! homocitric acid + +[Term] +id: CHEBI:52225 +name: UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:52226 +name: epi-cedrol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36745 ! cedrane sesquiterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:52228 +name: (3R)-all-trans-3-hydroxyretinal +is_a: CHEBI:26537 ! retinoid + +[Term] +id: CHEBI:52254 +name: apatite +is_a: CHEBI:46723 ! phosphate mineral + +[Term] +id: CHEBI:52255 +name: hydroxylapatite +is_a: CHEBI:52254 ! apatite + +[Term] +id: CHEBI:52267 +name: 7-hydroxyflavonol +is_a: CHEBI:28802 ! flavonols + +[Term] +id: CHEBI:52268 +name: flavonol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]s +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:36087 ! cinnamate ester +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:52280 +name: isopimara-7,15-diene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:52283 +name: 1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside + +[Term] +id: CHEBI:52285 +name: 1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside + +[Term] +id: CHEBI:52288 +name: 1-octadec-9-enoylglycero-3-phosphate +is_a: CHEBI:76629 ! 2-lysophosphatidic acid +relationship: has_role CHEBI:52290 ! mitogen +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52289 +name: wortmannin +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:50914 ! EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor + +[Term] +id: CHEBI:52290 +name: mitogen +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:52303 +name: sterol methyltransferase inhibitor +is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor + +[Term] +id: CHEBI:52317 +name: thalianol +is_a: CHEBI:52340 ! tricyclic triterpenoid + +[Term] +id: CHEBI:52320 +name: ergosteryl ester +is_a: CHEBI:131748 ! ergostane ester +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:52322 +name: zymosterol ester +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:52323 +name: 1,2-dioleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride +is_a: CHEBI:75945 ! dioleoylglycerol + +[Term] +id: CHEBI:52324 +name: 3-hydroxyicosanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52325 +name: 3-hydroxydocosanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52327 +name: 3-oxoicosanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52328 +name: 3-oxodocosanoyl-CoA +is_a: CHEBI:137599 ! long-chain 3-oxo-fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52329 +name: 3-oxotetracosanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52330 +name: glycerophosphatidylethanolamine +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates +is_a: CHEBI:36711 ! phosphoethanolamine + +[Term] +id: CHEBI:52333 +name: 1,2-dioleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:52323 ! 1,2-dioleoylglycerol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:52340 +name: tricyclic triterpenoid +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:51958 ! organic polycyclic compound + +[Term] +id: CHEBI:52342 +name: ethyl formate +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:52343 ! formate ester +relationship: has_role CHEBI:39276 ! fumigant +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:52343 +name: formate ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:52347 +name: 3-hydroxyicosanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:52348 +name: 3-hydroxydocosanoic acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:52350 +name: 3-oxoicosanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:52351 +name: 3-oxodocosanoic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:52352 +name: 3-oxotetracosanoic acid +is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid + +[Term] +id: CHEBI:52360 +name: 1,2-dioleoyl-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:16110 ! 1,2-diacyl-sn-glycero-3-phosphocholine(1+) + +[Term] +id: CHEBI:52362 +name: ortho-fused heteroarene +is_a: CHEBI:33637 ! ortho-fused compound +is_a: CHEBI:38180 ! polycyclic heteroarene + +[Term] +id: CHEBI:52371 +name: N-(2-hydroxytetracosanoyl)sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52372 +name: N-(2-hydroxyhexacosanoyl)sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52373 +name: N-(2-hydroxytetracosanoyl)phytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52374 +name: N-(2-hydroxyhexacosanyl)-(4R)-phytosphingosine +is_a: CHEBI:64958 ! N-(2-hydroxyhexacosanoyl)phytosphingosine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52381 +name: hexadec-2-enoyl-CoA +is_a: CHEBI:24549 ! hexadecenoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52386 +name: zymosterol intermediate 2 +is_a: CHEBI:47788 ! 3-oxo steroid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52388 +name: zymosterol intermediate 1a +is_a: CHEBI:15734 ! primary alcohol +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52392 +name: 2-arachidonoylglycerol +is_a: CHEBI:134144 ! 2-acylglycerol 20:4 +is_a: CHEBI:67197 ! endocannabinoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52393 +name: episterol ester +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:52394 +name: lanosteryl ester +is_a: CHEBI:131747 ! lanostane ester +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:52395 +name: oxyketone +is_a: CHEBI:17087 ! ketone + +[Term] +id: CHEBI:52396 +name: alpha-oxyketone +is_a: CHEBI:52395 ! oxyketone + +[Term] +id: CHEBI:52402 +name: 2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:38337 ! pyrimidone +is_a: CHEBI:38338 ! aminopyrimidine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52417 +name: D-glucosone +is_a: CHEBI:33921 ! ketoaldohexose + +[Term] +id: CHEBI:52421 +name: 3-oxohexacosanoic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid + +[Term] +id: CHEBI:52424 +name: EC 3.2.1.* (glycosidase) inhibitor +is_a: CHEBI:76761 ! EC 3.2.* (glycosylase) inhibitor + +[Term] +id: CHEBI:52425 +name: EC 3.2.1.18 (exo-alpha-sialidase) inhibitor +is_a: CHEBI:36044 ! antiviral drug +is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor + +[Term] +id: CHEBI:52426 +name: 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate +is_a: CHEBI:25444 ! myo-inositol cyclic phosphate +is_a: CHEBI:35373 ! D-glucosaminide +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:52430 +name: N-malonylanthranilic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide + +[Term] +id: CHEBI:52432 +name: (24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA +is_a: CHEBI:27505 ! 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA +relationship: has_role CHEBI:48887 ! bile acid metabolite + +[Term] +id: CHEBI:52440 +name: cephalosporin carboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:52442 +name: 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside + +[Term] +id: CHEBI:52443 +name: 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside +is_a: CHEBI:84140 ! myo-inositol monophosphate derivative + +[Term] +id: CHEBI:52447 +name: tetrahydrodictyopterin +is_a: CHEBI:15372 ! 5,6,7,8-tetrahydrobiopterin +relationship: has_role CHEBI:26348 ! prosthetic group + +[Term] +id: CHEBI:52448 +name: amino monocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:52449 +name: 5-oxo-ETE +is_a: CHEBI:61704 ! oxoicosatetraenoic acid +relationship: has_role CHEBI:50846 ! immunomodulator +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52450 +name: 2-O-acetyl-1-O-octadecyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:35674 ! antihypertensive agent +relationship: has_role CHEBI:50141 ! bronchoconstrictor agent +relationship: has_role CHEBI:50248 ! hematologic agent + +[Term] +id: CHEBI:52461 +name: elisabethatriene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:52463 +name: fusicocca-2,10(14)-diene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:52464 +name: jasmonate ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:36130 ! cyclic terpene ketone + +[Term] +id: CHEBI:52469 +name: precorrin-1 +is_a: CHEBI:26228 ! precorrin + +[Term] +id: CHEBI:52482 +name: levopimaradienol +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:52483 +name: levopimaradienal +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:52484 +name: isopimara-7,15-dienol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:52485 +name: isopimara-7,15-dienal +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:52486 +name: dehydroabietadienol +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:52487 +name: dehydroabietadienal +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:52488 +name: cobalt-precorrin-5A +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:52489 +name: cobalt-precorrin-5B +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:52490 +name: cobalt-precorrin-7 +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:52491 +name: cobalt-sirohydrochlorin +is_a: CHEBI:25216 ! metalloporphyrin + +[Term] +id: CHEBI:52499 +name: cob(II)yrinic acid +is_a: CHEBI:23389 ! cobalt-corrinoid heptacarboxylic acid +is_a: CHEBI:52500 ! cobyrinic acid + +[Term] +id: CHEBI:52500 +name: cobyrinic acid +is_a: CHEBI:17926 ! hydrogenobyrinic acid +is_a: CHEBI:23389 ! cobalt-corrinoid heptacarboxylic acid + +[Term] +id: CHEBI:52501 +name: 2-hydroxycarbonyl compound +is_a: CHEBI:36586 ! carbonyl compound + +[Term] +id: CHEBI:52507 +name: haloindole +is_a: CHEBI:24828 ! indoles + +[Term] +id: CHEBI:52508 +name: chloroindole +is_a: CHEBI:52507 ! haloindole + +[Term] +id: CHEBI:5254 +name: galactolipid +is_a: CHEBI:33563 ! glycolipid + +[Term] +id: CHEBI:52557 +name: tetracyclic diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:52564 +name: 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:38418 ! 1,3-thiazoles + +[Term] +id: CHEBI:52565 +name: acylglycerophosphoserine +is_a: CHEBI:35766 ! glycerophosphoserine + +[Term] +id: CHEBI:52567 +name: 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphate +is_a: CHEBI:37296 ! 1-alkyl-2-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:76170 ! olefinic phospholipid + +[Term] +id: CHEBI:52569 +name: 1-(alk-1-enyl)glycerol +is_a: CHEBI:24353 ! glycerol ether +is_a: CHEBI:76575 ! monosubstituted glycerol +is_a: CHEBI:77998 ! 1(3)-O-(alk-1-enyl)-glycerol + +[Term] +id: CHEBI:52570 +name: alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer +is_a: CHEBI:140817 ! alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36508 ! glycotriaosylceramide + +[Term] +id: CHEBI:52572 +name: acylglucosaminylphosphatidylinositol +is_a: CHEBI:24275 ! glucosaminylphosphatidylinositol + +[Term] +id: CHEBI:52575 +name: alkylglycerol +is_a: CHEBI:24353 ! glycerol ether + +[Term] +id: CHEBI:52582 +name: isobacteriochlorins +is_a: CHEBI:26214 ! porphyrins + +[Term] +id: CHEBI:52592 +name: N-retinylidene-N-retinylphosphatidylethanolamine +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:36314 ! glycerophosphoethanolamine + +[Term] +id: CHEBI:52595 +name: 1-alkyl-2-acyl-sn-glycerol +is_a: CHEBI:598 ! 1-alkyl-2-acylglycerol +is_a: CHEBI:76582 ! monoalkylmonoacylglycerol +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52602 +name: ganglioside GP1c +is_a: CHEBI:36543 ! sialotetraosylceramide + +[Term] +id: CHEBI:52603 +name: 1-acyl-sn-glycero-3-phosphoserine +is_a: CHEBI:68510 ! lysophosphatidylserine + +[Term] +id: CHEBI:52615 +name: zymosterol intermediate 1b +is_a: CHEBI:17478 ! aldehyde +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52617 +name: 7,8-dihydro-8-oxoguanine +is_a: CHEBI:25810 ! oxopurine + +[Term] +id: CHEBI:52618 +name: 2-hydroxy carboxylic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid + +[Term] +id: CHEBI:52625 +name: inorganic hydroxy compound +is_a: CHEBI:24651 ! hydroxides +is_a: CHEBI:24835 ! inorganic molecular entity + +[Term] +id: CHEBI:52629 +name: EC 3.1.26.13 (retroviral ribonuclease H) inhibitor +is_a: CHEBI:64947 ! anti-HIV-1 agent +is_a: CHEBI:76785 ! EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor + +[Term] +id: CHEBI:52639 +name: N-acylsphingosine +is_a: CHEBI:82830 ! sphingosine-based sphingolipid +is_a: CHEBI:83273 ! N-acylsphingoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52640 +name: N-acylethanolamine +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23981 ! ethanolamines + +[Term] +id: CHEBI:52641 +name: polyphosphoric acid +is_a: CHEBI:33457 ! phosphorus oxoacid +is_a: CHEBI:37786 ! acyclic phosphorus acid anhydride + +[Term] +id: CHEBI:52646 +name: leptomycin B +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:52651 ! leptomycin +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:52648 +name: N(beta)-acyl-L-2,3-diaminopropionic acid +is_a: CHEBI:21644 ! N-acyl-L-amino acid + +[Term] +id: CHEBI:52649 +name: 1-O-oleoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:52603 ! 1-acyl-sn-glycero-3-phosphoserine + +[Term] +id: CHEBI:52651 +name: leptomycin +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid +is_a: CHEBI:59644 ! oxo fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:52656 +name: O-acyltropine +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:52657 +name: O-acylpseudotropine +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:52668 +name: 1,4-dihydroxy-2-naphthoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +is_a: CHEBI:51475 ! naphthohydroquinone +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:52669 +name: 2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:35871 ! oxo monocarboxylic acid + +[Term] +id: CHEBI:52678 +name: 3-methoxyphenol +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:52679 +name: 5-alkylresorcinol +is_a: CHEBI:33572 ! resorcinols + +[Term] +id: CHEBI:52680 +name: 5-(pentadeca-8,11,14-trien-1-yl)resorcinol +is_a: CHEBI:52731 ! 5-alkatrienylresorcinol + +[Term] +id: CHEBI:52681 +name: 5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:52682 +name: butane-1,2-diol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:52684 ! butanediol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:52684 +name: butanediol +is_a: CHEBI:22944 ! butanediols + +[Term] +id: CHEBI:52726 +name: proteasome inhibitor +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:52731 +name: 5-alkatrienylresorcinol +is_a: CHEBI:33572 ! resorcinols + +[Term] +id: CHEBI:52742 +name: D-ribofuranose 5-phosphate +is_a: CHEBI:78679 ! D-ribose 5-phosphate + +[Term] +id: CHEBI:52773 +name: alpha-D-glucosiduronic acid +is_a: CHEBI:24302 ! glucosiduronic acid + +[Term] +id: CHEBI:52775 +name: UDP-N-acetyl-2-amino-2-deoxy-D-glucuronic acid +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:52782 +name: O-acyl carbohydrate +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:52785 +name: 2-(E)-O-feruloyl-D-galactaric acid +is_a: CHEBI:16590 ! O-feruloylgalactaric acid + +[Term] +id: CHEBI:52794 +name: beta-L-aspartylhydroxamic acid +is_a: CHEBI:24650 ! hydroxamic acid +is_a: CHEBI:52987 ! L-asparagine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:52831 +name: Delta(11)-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:52839 +name: acridinium ion +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:52845 +name: cyclic organic group +is_a: CHEBI:33247 ! organic group + +[Term] +id: CHEBI:52857 +name: S-sulfanylglutathione +is_a: CHEBI:17021 ! S-substitued glutathione +is_a: CHEBI:47923 ! tripeptide +is_a: CHEBI:83824 ! L-cysteine derivative + +[Term] +id: CHEBI:52859 +name: choline hydrogen sulfate +is_a: CHEBI:23216 ! choline sulfates +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:528881 +name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:52897 +name: sphingosylphosphocholine acid +is_a: CHEBI:35267 ! quaternary ammonium ion +is_a: CHEBI:35786 ! phosphosphingolipid +is_a: CHEBI:36700 ! phosphocholines + +[Term] +id: CHEBI:52961 +name: N-tetracosanoylsphinganine +is_a: CHEBI:86265 ! N-(1,2-saturated acyl)sphinganine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52962 +name: N-hexacosanoylsphinganine +is_a: CHEBI:137574 ! Cer(d44:0) +is_a: CHEBI:31488 ! N-acylsphinganine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52966 +name: hexacosanoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52970 +name: ubiquinol-6 +is_a: CHEBI:17976 ! ubiquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52971 +name: ubiquinone-6 +is_a: CHEBI:16389 ! ubiquinones +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52972 +name: ergosta-5,7,24(28)-trien-3beta-ol +is_a: CHEBI:138131 ! Delta(5),Delta(7)-sterol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52973 +name: ergosteryl 3-beta-D-glucoside +is_a: CHEBI:37424 ! sterol 3-beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52974 +name: tetracosanoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52975 +name: trans-2-hexacosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52977 +name: 3-oxohexacosanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:52979 +name: N-tetracosanoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52980 +name: N-hexacosanoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:52984 +name: trans-2-hexacosenoic acid +is_a: CHEBI:52985 ! 2-hexacosenoic acid + +[Term] +id: CHEBI:52985 +name: 2-hexacosenoic acid +is_a: CHEBI:78865 ! hexacosenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:52987 +name: L-asparagine derivative +is_a: CHEBI:22654 ! asparagine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative + +[Term] +id: CHEBI:52994 +name: precursor Z +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:52996 +name: alpha-D-glucosyl-(1->3)-D-mannopyranose +is_a: CHEBI:52997 ! D-glucopyranosyl-(1->3)-D-mannopyranose + +[Term] +id: CHEBI:52997 +name: D-glucopyranosyl-(1->3)-D-mannopyranose +is_a: CHEBI:21010 ! D-glucosyl-D-mannose + +[Term] +id: CHEBI:53 +name: (+)-beta-phellandrene +is_a: CHEBI:48741 ! beta-phellandrene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:53000 +name: epitope +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:53010 +name: nucleoside 2'-phosphate +is_a: CHEBI:29075 ! mononucleotide + +[Term] +id: CHEBI:53012 +name: xanthosine 5'-phosphate +is_a: CHEBI:27329 ! xanthosine phosphate + +[Term] +id: CHEBI:53013 +name: 3'-CMP +is_a: CHEBI:23518 ! cytidine 3'-phosphate +is_a: CHEBI:37018 ! pyrimidine ribonucleoside 3'-monophosphate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:53025 +name: L-galactose 1-phosphate +is_a: CHEBI:20960 ! galactose phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:53028 +name: 4-deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:53030 +name: oxysterol +is_a: CHEBI:15889 ! sterol + +[Term] +id: CHEBI:53039 +name: tetradecaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53040 +name: tridecaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53041 +name: dodecaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53042 +name: undecaprenyl diphosphate +is_a: CHEBI:27193 ! undecaprenyl phosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53043 +name: decaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53044 +name: nonaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53045 +name: octaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53046 +name: heptaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53047 +name: hexaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53048 +name: pentaprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:53071 +name: L-galactonate +is_a: CHEBI:24148 ! galactonate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:53072 +name: beta-L-galactose 1-phosphate +is_a: CHEBI:53025 ! L-galactose 1-phosphate + +[Term] +id: CHEBI:53079 +name: lysine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:53081 +name: prostaglandin F2alpha 1-ethanolamide +is_a: CHEBI:36066 ! prostaglandins Falpha +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:53082 +name: prostaglandin H2 1-ethanolamide +is_a: CHEBI:26344 ! prostaglandins H +is_a: CHEBI:52640 ! N-acylethanolamine + +[Term] +id: CHEBI:53112 +name: AMP 3'-end residue +is_a: CHEBI:50299 ! canonical ribonucleotide residue + +[Term] +id: CHEBI:53121 +name: adenosine A2A receptor antagonist +is_a: CHEBI:71232 ! adenosine receptor antagonist + +[Term] +id: CHEBI:53125 +name: Se-methyl-D-selenocysteine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:9068 ! Se-methylselenocysteine + +[Term] +id: CHEBI:53126 +name: Se-methyl-L-selenocysteinate +is_a: CHEBI:53128 ! Se-methylselenocysteinate + +[Term] +id: CHEBI:53128 +name: Se-methylselenocysteinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:53129 +name: Se-methyl-D-selenocysteinate +is_a: CHEBI:53128 ! Se-methylselenocysteinate + +[Term] +id: CHEBI:53130 +name: Se-methyl-L-selenocysteinium +is_a: CHEBI:53132 ! Se-methylselenocysteinium + +[Term] +id: CHEBI:53131 +name: Se-methyl-D-selenocysteinium +is_a: CHEBI:53132 ! Se-methylselenocysteinium + +[Term] +id: CHEBI:53132 +name: Se-methylselenocysteinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:53146 +name: (2Z,4E)-2-hydroxymuconic acid +is_a: CHEBI:24553 ! hexadienedioic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:53152 +name: palmitoleoyl-CoA +is_a: CHEBI:24549 ! hexadecenoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA + +[Term] +id: CHEBI:53153 +name: 10'-apo-beta-carotenal +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:53154 +name: 8'-apo-beta,psi-caroten-8'-al +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:53155 +name: 2,6-dimethylocta-2,4,6-trienedial +is_a: CHEBI:38124 ! dialdehyde +is_a: CHEBI:49247 ! apo carotenoid monoterpenoid +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:53156 +name: polychlorobiphenyl +is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds +is_a: CHEBI:35446 ! chlorobiphenyl +relationship: has_role CHEBI:138015 ! endocrine disruptor +relationship: has_role CHEBI:77853 ! persistent organic pollutant + +[Term] +id: CHEBI:53157 +name: 4'-apo-beta-carotenal +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53185 ! apo carotenoid C35 terpenoid + +[Term] +id: CHEBI:53159 +name: (3R)-3-hydroxy-8'-apo-beta-carotenal +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:53166 +name: crocetin dialdehyde +is_a: CHEBI:38124 ! dialdehyde +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53186 ! apo carotenoid diterpenoid + +[Term] +id: CHEBI:53167 +name: hydroxy-beta-cyclocitral +is_a: CHEBI:25409 ! monoterpenoid + +[Term] +id: CHEBI:53171 +name: 4,9-dimethyldodeca-2,4,6,8,10-pentaenedial +is_a: CHEBI:38124 ! dialdehyde +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:53173 +name: (3R)-hydroxy-beta-ionone +is_a: CHEBI:49247 ! apo carotenoid monoterpenoid + +[Term] +id: CHEBI:53175 +name: 13-apo-beta-carotenone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:53176 +name: 4-methylocta-2,4,6-trienedial +is_a: CHEBI:38124 ! dialdehyde +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:53177 +name: beta-cyclocitral +is_a: CHEBI:25409 ! monoterpenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:53183 +name: apo carotenoid +is_a: CHEBI:24913 ! isoprenoid + +[Term] +id: CHEBI:53185 +name: apo carotenoid C35 terpenoid +is_a: CHEBI:51961 ! sesquarterpenoid +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:53186 +name: apo carotenoid diterpenoid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:53210 +name: O-propanoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:28867 ! O-propanoylcarnitine +relationship: has_role CHEBI:49110 ! peripheral nervous system drug + +[Term] +id: CHEBI:53224 +name: poly(amide) macromolecule +is_a: CHEBI:32988 ! amide +is_a: CHEBI:33839 ! macromolecule + +[Term] +id: CHEBI:53225 +name: poly(alkylene) macromolecule +is_a: CHEBI:37997 ! homopolymer macromolecule + +[Term] +id: CHEBI:53226 +name: polyethylene macromolecule +is_a: CHEBI:53225 ! poly(alkylene) macromolecule + +[Term] +id: CHEBI:53242 +name: vinyl polymer macromolecule +is_a: CHEBI:53226 ! polyethylene macromolecule + +[Term] +id: CHEBI:53259 +name: poly(ethylene terephthalate) macromolecule +is_a: CHEBI:26178 ! polyester macromolecule + +[Term] +id: CHEBI:53291 +name: 2-halophenol +is_a: CHEBI:38856 ! halophenol + +[Term] +id: CHEBI:533015 +name: 3,3',5-triiodo-L-thyronine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:53309 +name: polyanionic macromolecule +is_a: CHEBI:33839 ! macromolecule +is_a: CHEBI:53368 ! ionic macromolecule + +[Term] +id: CHEBI:53310 +name: copolymer macromolecule +is_a: CHEBI:33839 ! macromolecule + +[Term] +id: CHEBI:53335 +name: (S)-3-hydroxy-3-methyl-2-oxopentanoic acid +is_a: CHEBI:28710 ! 3-hydroxy-3-methyl-2-oxopentanoic acid + +[Term] +id: CHEBI:53338 +name: 3-hydroxy-3-methyl-2-oxopentanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion + +[Term] +id: CHEBI:53339 +name: olefinic fatty acid +is_a: CHEBI:27208 ! unsaturated fatty acid +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:53348 +name: benzenesulfonates +is_a: CHEBI:22713 ! arenesulfonate oxoanion + +[Term] +id: CHEBI:53353 +name: GHB receptor agonist +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:53368 +name: ionic macromolecule +is_a: CHEBI:33839 ! macromolecule + +[Term] +id: CHEBI:5337 +name: (1E,4E)-germacrene B +is_a: CHEBI:49314 ! germacrene B + +[Term] +id: CHEBI:53373 +name: gamma-poly(glutamic acid) macromolecule +is_a: CHEBI:37997 ! homopolymer macromolecule +is_a: CHEBI:53224 ! poly(amide) macromolecule + +[Term] +id: CHEBI:53376 +name: gamma-poly(glutamate) macromolecule +is_a: CHEBI:53224 ! poly(amide) macromolecule +is_a: CHEBI:53368 ! ionic macromolecule + +[Term] +id: CHEBI:53387 +name: poly(hydroxyalkanoate) +is_a: CHEBI:26178 ! polyester macromolecule + +[Term] +id: CHEBI:53388 +name: poly(hydroxybutyrate) +is_a: CHEBI:53387 ! poly(hydroxyalkanoate) + +[Term] +id: CHEBI:53390 +name: poly(hydroxyvalerate) +is_a: CHEBI:53387 ! poly(hydroxyalkanoate) + +[Term] +id: CHEBI:53391 +name: poly(3-hydroxyvalerate) +is_a: CHEBI:53390 ! poly(hydroxyvalerate) + +[Term] +id: CHEBI:53392 +name: poly(5-hydroxyvalerate) +is_a: CHEBI:53390 ! poly(hydroxyvalerate) + +[Term] +id: CHEBI:53404 +name: poly(alkylene vinylene) macromolecule +is_a: CHEBI:37997 ! homopolymer macromolecule + +[Term] +id: CHEBI:53405 +name: poly(isoprene) macromolecule +is_a: CHEBI:53404 ! poly(alkylene vinylene) macromolecule + +[Term] +id: CHEBI:53406 +name: cis-1,4-polyisoprene +is_a: CHEBI:53405 ! poly(isoprene) macromolecule + +[Term] +id: CHEBI:53431 +name: chain carrier +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:53455 +name: D-xylopyranose +is_a: CHEBI:65327 ! D-xylose + +[Term] +id: CHEBI:53460 +name: all-cis-icosa-11,14,17-trienoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:36036 ! icosatrienoic acid + +[Term] +id: CHEBI:53463 +name: heptasaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:53486 +name: all-cis-icosa-8,11,14-trienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:36036 ! icosatrienoic acid +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:53487 +name: all-cis-docosa-7,10,13,16-tetraenoic acid +is_a: CHEBI:61205 ! docosatetraenoic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:53488 +name: (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:61204 ! docosapentaenoic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:53508 +name: thyroxine sulfate +is_a: CHEBI:24864 ! iodothyronine + +[Term] +id: CHEBI:53604 +name: N-acetyl-alpha-D-galactosaminyl-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:53608 +name: O-(N-acetyl-alpha-D-galactosaminyl)-L-serine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:53609 +name: O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84189 ! L-threonine derivative + +[Term] +id: CHEBI:53628 +name: 2,6-dideoxy-alpha-D-glucoside +is_a: CHEBI:22390 ! alpha-D-glucoside + +[Term] +id: CHEBI:53634 +name: neomycin C +is_a: CHEBI:47779 ! aminoglycoside + +[Term] +id: CHEBI:53643 +name: phyllocladan-16alpha-ol +is_a: CHEBI:50062 ! pimaradiene +is_a: CHEBI:53666 ! kaurane diterpenoid + +[Term] +id: CHEBI:53647 +name: dehydroglycine +is_a: CHEBI:23591 ! dehydroamino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:53650 +name: guaiacylglycerol-beta-guaiacyl ether +is_a: CHEBI:24353 ! glycerol ether + +[Term] +id: CHEBI:53659 +name: EC 1.4.3.22 (diamine oxidase) inhibitor +is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor + +[Term] +id: CHEBI:53664 +name: dehydroglycinate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:53666 +name: kaurane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:53680 +name: dihalogenated L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:33856 ! aromatic amino acid + +[Term] +id: CHEBI:5373 +name: (S)-glaucine +is_a: CHEBI:134209 ! aporphine alkaloid +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:46774 ! polyether +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:51177 ! antitussive +relationship: has_role CHEBI:51371 ! muscle relaxant +relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:86264 ! rat metabolite + +[Term] +id: CHEBI:53746 +name: EC 1.1.1.205 (IMP dehydrogenase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + +[Term] +id: CHEBI:537519 +name: L-aspartic acid 4-semialdehyde betaine +is_a: CHEBI:22860 ! amino-acid betaine + +[Term] +id: CHEBI:53753 +name: triolein +is_a: CHEBI:17855 ! triglyceride +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite + +[Term] +id: CHEBI:53756 +name: HIV-1 reverse transcriptase inhibitor +is_a: CHEBI:52629 ! EC 3.1.26.13 (retroviral ribonuclease H) inhibitor +is_a: CHEBI:64947 ! anti-HIV-1 agent + +[Term] +id: CHEBI:53784 +name: antispasmodic drug +is_a: CHEBI:51371 ! muscle relaxant + +[Term] +id: CHEBI:53794 +name: (4-hydroxy-3-nitrophenyl)acetate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:53800 +name: 4-hydroxy-2-oxohexanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion + +[Term] +id: CHEBI:5385 +name: gliotoxin +is_a: CHEBI:35489 ! organic disulfide +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:64130 ! pyrazinoindole +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:52726 ! proteasome inhibitor +relationship: has_role CHEBI:64133 ! EC 2.5.1.58 (protein farnesyltransferase) inhibitor + +[Term] +id: CHEBI:5386 +name: globin +is_a: CHEBI:35137 ! hemoprotein + +[Term] +id: CHEBI:5391 +name: glucagon +is_a: CHEBI:25905 ! peptide hormone + +[Term] +id: CHEBI:5411 +name: gluconapin(1-) +is_a: CHEBI:36451 ! alkenylglucosinolate + +[Term] +id: CHEBI:5417 +name: glucosamine +is_a: CHEBI:24271 ! glucosamines + +[Term] +id: CHEBI:541975 +name: epiandrosterone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:5435 +name: piperidine-2,6-dione +is_a: CHEBI:35356 ! dicarboximide +is_a: CHEBI:48589 ! piperidones + +[Term] +id: CHEBI:543745 +name: 3',4',5'-O-trimethyltricetin +is_a: CHEBI:138732 ! 3',5'-dimethoxyflavone +is_a: CHEBI:27124 ! trimethoxyflavone +is_a: CHEBI:38686 ! dihydroxyflavone + +[Term] +id: CHEBI:5445 +name: glyceraldehyde +is_a: CHEBI:33914 ! aldotriose +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:545687 +name: traumatic acid +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:5457 +name: glycerophosphoglycerol +is_a: CHEBI:24360 ! glycerophosphoglycerols + +[Term] +id: CHEBI:546274 +name: (4-hydroxy-3-nitrophenyl)acetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:59174 ! hapten + +[Term] +id: CHEBI:546807 +name: beta-D-Galp-(1->3)-D-GalpNAc +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:22484 ! galactosamine oligosaccharide +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:5530 +name: gramicidin S +is_a: CHEBI:24613 ! homodetic cyclic peptide + +[Term] +id: CHEBI:55310 +name: poly(2,5-ethylene furandicarboxylate) +is_a: CHEBI:26178 ! polyester macromolecule + +[Term] +id: CHEBI:55322 +name: mu-opioid receptor agonist +is_a: CHEBI:60599 ! mu-opioid agent +is_a: CHEBI:60606 ! opioid receptor agonist + +[Term] +id: CHEBI:55323 +name: antidiarrhoeal drug +is_a: CHEBI:55324 ! gastrointestinal drug + +[Term] +id: CHEBI:55324 +name: gastrointestinal drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:55327 +name: aci-nitroethane(1-) +is_a: CHEBI:33458 ! nitrogen oxoanion + +[Term] +id: CHEBI:55328 +name: juniperic acid +is_a: CHEBI:140997 ! omega-hydroxy-long-chain fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:55329 +name: 16-hydroxypalmitate +is_a: CHEBI:140992 ! omega-hydroxy-long-chain fatty acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:5533 +name: granaticin +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:48129 ! benzoisochromanequinone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:55330 +name: 16-feruloyloxypalmitic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:55331 +name: 16-feruloyloxypalmitate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:55332 +name: beta-D-galactosyl-(1->4)-L-rhamnose +is_a: CHEBI:55333 ! glycosylrhamnose + +[Term] +id: CHEBI:55333 +name: glycosylrhamnose +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:55334 +name: delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:55335 +name: ternatin C5 +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:55336 +name: delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:55337 +name: all-trans-polyprenyl diphosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate + +[Term] +id: CHEBI:55353 +name: (2E)-but-2-ene-1,2,3-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid + +[Term] +id: CHEBI:55354 +name: 7-chlorotryptophan +is_a: CHEBI:27164 ! tryptophan derivative +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:52508 ! chloroindole +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:55355 +name: 7-chloro-D-tryptophan +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:47997 ! D-tryptophan derivative +is_a: CHEBI:55354 ! 7-chlorotryptophan + +[Term] +id: CHEBI:55356 +name: (R)-piperazine-2-carboxamide +is_a: CHEBI:46853 ! piperazinecarboxamide + +[Term] +id: CHEBI:55357 +name: (R)-piperazine-2-carboxylic acid +is_a: CHEBI:48683 ! piperazinecarboxylic acid + +[Term] +id: CHEBI:55358 +name: (R)-piperazine-2-carboxylate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:55359 +name: (R)-N-tert-butylpiperazine-2-carboxamide +is_a: CHEBI:46853 ! piperazinecarboxamide + +[Term] +id: CHEBI:55360 +name: beta-alaninamide +is_a: CHEBI:22475 ! amino acid amide + +[Term] +id: CHEBI:55366 +name: ribonucleotide residue +is_a: CHEBI:50319 ! nucleotide residue + +[Term] +id: CHEBI:55367 +name: deoxyribonucleotide residue +is_a: CHEBI:50319 ! nucleotide residue + +[Term] +id: CHEBI:55370 +name: imidazolidinone +is_a: CHEBI:38261 ! imidazolidines + +[Term] +id: CHEBI:55373 +name: isoxazoles +is_a: CHEBI:35790 ! oxazole + +[Term] +id: CHEBI:55376 +name: ferriheme b(1-) +is_a: CHEBI:26355 ! heme b + +[Term] +id: CHEBI:55377 +name: beta-hematin +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:55380 +name: beta-hydroxy ketone +is_a: CHEBI:17087 ! ketone +relationship: has_part CHEBI:43176 ! hydroxy group + +[Term] +id: CHEBI:55391 +name: (S)-piperazine-2-carboxamide +is_a: CHEBI:46853 ! piperazinecarboxamide + +[Term] +id: CHEBI:55392 +name: (S)-piperazine-2-carboxylic acid +is_a: CHEBI:48683 ! piperazinecarboxylic acid + +[Term] +id: CHEBI:55393 +name: (S)-piperazine-2-carboxylate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:55396 +name: 2-dehydropyranose +is_a: CHEBI:33921 ! ketoaldohexose + +[Term] +id: CHEBI:55399 +name: L-aminoacyl-L-amino acid +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:51569 ! N-acyl-amino acid + +[Term] +id: CHEBI:55400 +name: 3-dehydropyranose +is_a: CHEBI:33921 ! ketoaldohexose + +[Term] +id: CHEBI:55402 +name: 3-dehydro-D-glucose +is_a: CHEBI:55400 ! 3-dehydropyranose + +[Term] +id: CHEBI:55404 +name: N-acetyl-D-galactosamine 1-phosphate +is_a: CHEBI:28207 ! D-galactosamine 1-phosphate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:55406 +name: beta-D-apiofuranosyl-(1->6)-D-glucopyranose +is_a: CHEBI:36233 ! disaccharide + +[Term] +id: CHEBI:55409 +name: 6-iminocyclohexa-2,4-dienone +is_a: CHEBI:50193 ! quinone imine + +[Term] +id: CHEBI:55410 +name: anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) +is_a: CHEBI:22569 ! anthocyanidin glucoside + +[Term] +id: CHEBI:55412 +name: N-acyl-L-homoserine +is_a: CHEBI:55414 ! N-acylhomoserine + +[Term] +id: CHEBI:55414 +name: N-acylhomoserine +is_a: CHEBI:51569 ! N-acyl-amino acid + +[Term] +id: CHEBI:55415 +name: N-acyl-D-homoserine +is_a: CHEBI:55414 ! N-acylhomoserine + +[Term] +id: CHEBI:55417 +name: maleimides +is_a: CHEBI:35356 ! dicarboximide + +[Term] +id: CHEBI:55429 +name: cephamycin +is_a: CHEBI:38311 ! cephem + +[Term] +id: CHEBI:55430 +name: 1-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:28894 ! 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:67064 ! phosphatidylcholine O-36:4 + +[Term] +id: CHEBI:55435 +name: beta-Asp-Arg +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:55436 +name: 2-arylethylamine +is_a: CHEBI:32877 ! primary amine + +[Term] +id: CHEBI:55437 +name: 2-demethylmenaquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:51475 ! naphthohydroquinone + +[Term] +id: CHEBI:55438 +name: Ile(5)-angiotensin II (1-7) +is_a: CHEBI:48433 ! angiotensin +relationship: has_role CHEBI:35620 ! vasodilator agent + +[Term] +id: CHEBI:55451 +name: lipoyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride +is_a: CHEBI:39192 ! dithiolanes +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:55455 +name: delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside +is_a: CHEBI:140278 ! 5-hydroxyanthocyanin O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:55456 +name: delphinidin 3,3',5-tri-O-glucoside +is_a: CHEBI:140278 ! 5-hydroxyanthocyanin O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:55458 +name: 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide +is_a: CHEBI:47896 ! pyridine nucleoside +is_a: CHEBI:50075 ! dihydropyridine + +[Term] +id: CHEBI:55464 +name: 7-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy]isoflavone +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:55465 +name: 7-hydroxyisoflavones +is_a: CHEBI:38755 ! hydroxyisoflavone + +[Term] +id: CHEBI:55467 +name: dalpatein beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:55464 ! 7-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy]isoflavone + +[Term] +id: CHEBI:55469 +name: N-acetyl-2-arylethylamine +is_a: CHEBI:22160 ! acetamides + +[Term] +id: CHEBI:55474 +name: N-acyl-L-homoserine lactone +is_a: CHEBI:83169 ! N-acyl homoserine lactone + +[Term] +id: CHEBI:55476 +name: N-formyl-D-kynurenine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:24079 ! formamides + +[Term] +id: CHEBI:55479 +name: cis-3-hydroxy-L-proline +is_a: CHEBI:20056 ! 3-hydroxy-L-proline + +[Term] +id: CHEBI:55484 +name: alpha-phenylglycine +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:55485 +name: dermatan 6'-sulfate +is_a: CHEBI:35722 ! sulfated glycosaminoglycan +is_a: CHEBI:37395 ! mucopolysaccharide + +[Term] +id: CHEBI:55491 +name: glycerol 1-phosphodiester +is_a: CHEBI:25703 ! organic phosphate + +[Term] +id: CHEBI:55493 +name: 1-O-acylglycerophosphoethanolamine +is_a: CHEBI:64574 ! lysophosphatidylethanolamine + +[Term] +id: CHEBI:55505 +name: 1,2-benzisothiazole +is_a: CHEBI:37947 ! benzothiazoles + +[Term] +id: CHEBI:55513 +name: 2-deoxy-D-ribofuranose 5-phosphate +is_a: CHEBI:16132 ! 2-deoxy-D-ribose 5-phosphate + +[Term] +id: CHEBI:55514 +name: laminaritriose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:55534 +name: (R)-2-hydroxy-4-methylpentanoic acid +is_a: CHEBI:17893 ! (2R)-2-hydroxy monocarboxylic acid +is_a: CHEBI:59783 ! 2-hydroxy-4-methylvaleric acid + +[Term] +id: CHEBI:55535 +name: (R)-2-hydroxy-4-methylpentanoate +is_a: CHEBI:133577 ! 2-hydroxy-4-methylvalerate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:55549 +name: dalpatein +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:38756 ! methoxyisoflavone +is_a: CHEBI:55465 ! 7-hydroxyisoflavones + +[Term] +id: CHEBI:55550 +name: dalnigrein beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:55464 ! 7-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy]isoflavone + +[Term] +id: CHEBI:55551 +name: dalnigrein +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:55465 ! 7-hydroxyisoflavones + +[Term] +id: CHEBI:55552 +name: thymidine 3'-monophosphate +is_a: CHEBI:27001 ! thymidine phosphate +is_a: CHEBI:36994 ! pyrimidine 2'-deoxyribonucleoside 3'-monophosphate + +[Term] +id: CHEBI:5580 +name: gypsogenin +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:26606 ! sapogenin + +[Term] +id: CHEBI:5587 +name: sulfurothioic S-acid +is_a: CHEBI:33540 ! thiosulfuric acid +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:5610 +name: haloalkene +is_a: CHEBI:24472 ! halohydrocarbon + +[Term] +id: CHEBI:5613 +name: haloperidol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:37143 ! organofluorine compound +is_a: CHEBI:48590 ! hydroxypiperidine +is_a: CHEBI:76224 ! aromatic ketone +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:48279 ! serotonergic antagonist +relationship: has_role CHEBI:48561 ! dopaminergic antagonist +relationship: has_role CHEBI:50919 ! antiemetic +relationship: has_role CHEBI:65190 ! first generation antipsychotic +relationship: has_role CHEBI:66956 ! antidyskinesia agent + +[Term] +id: CHEBI:5653 +name: hemiacetal +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:566274 +name: malonaldehyde +is_a: CHEBI:38124 ! dialdehyde +relationship: has_role CHEBI:59163 ! biomarker + +[Term] +id: CHEBI:566789 +name: ethylaminium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:566825 +name: propan-1-aminium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:5672 +name: heptan-2-one +is_a: CHEBI:18044 ! dialkyl ketone +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:5686 +name: heterocyclic compound +is_a: CHEBI:33595 ! cyclic compound + +[Term] +id: CHEBI:569624 +name: papulacandin B +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:72596 ! papulacandin +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:5697 +name: palmitoyl-[acyl-carrier protein] +is_a: CHEBI:16018 ! acyl-[acyl-carrier protein] +relationship: has_part CHEBI:45021 ! palmitoyl group +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57248 +name: echinocandin +is_a: CHEBI:46895 ! lipopeptide +is_a: CHEBI:86478 ! antibiotic antifungal agent + +[Term] +id: CHEBI:57251 +name: (3S)-3-hydroxy-L-aspartate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:57252 +name: (E)-cinnamoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57253 +name: (R)-2-benzylsuccinyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57254 +name: (R)-phenyllactoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57255 +name: 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57257 +name: 1L-myo-inositol 1,2,3,4,6-pentakisphosphate(10-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:57258 +name: 2-amino-5-formylamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate(2-) +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:24079 ! formamides +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:38337 ! pyrimidone +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57259 +name: 2-deoxy-alpha-D-ribose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57260 +name: 2-methylbut-2-enoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57261 +name: 3,3',5'-triiodo-L-thyronine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57262 +name: 3-sn-phosphatidyl-L-serine(1-) +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:57263 +name: 4-carboxylatomethylenebut-2-en-4-olide +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57264 +name: 4-fluoro-L-threonine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57265 +name: 6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57266 +name: (-)-usnic acid(2-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57267 +name: beta-D-fructofuranose 2-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57268 +name: beta-L-fucose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57269 +name: N,N'-diacetylchitobiosyldiphosphonatodolichol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57270 +name: N,N-dihydroxy-L-tyrosinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:57271 +name: indol-3-ylacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57273 +name: GDP-beta-L-fucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57274 +name: 3,5-dibromo-4-oxidobenzoate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:57275 +name: dTDP-D-galactose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57276 +name: feruloyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57277 +name: 3-(3-hydroxyphenyl)propanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:57278 +name: 3-acylpyruvate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion + +[Term] +id: CHEBI:57279 +name: 3-ammonio-2-oxopropyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57280 +name: N(6)-lipoyl-L-lysinium(1+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:57281 +name: N(6)-(S(8)-ammoniomethyldihydrolipoyl)-L-lysinium(2+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:57283 +name: N(alpha)-methyl-L-tryptophan zwitterion +is_a: CHEBI:86139 ! N-methyl-L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:57284 +name: 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57286 +name: acetoacetyl-CoA(4-) +is_a: CHEBI:90726 ! 3-oxoacyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57287 +name: coenzyme A(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57288 +name: acetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57289 +name: blasticidin S(1+) +is_a: CHEBI:60251 ! guanidinium ion +is_a: CHEBI:86478 ! antibiotic antifungal agent + +[Term] +id: CHEBI:57290 +name: hydroxyacetone phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57291 +name: 3-oxopristanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57292 +name: succinyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57293 +name: (+)-bornyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57294 +name: (+)-dihydrokaempferol 7-oxoanion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57295 +name: (-)-ephedrinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57296 +name: (-)-ureidoglycolate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57297 +name: ent-kaur-16-en-19-oate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57298 +name: ent-7alpha-hydroxykaur-16-en-19-oate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57299 +name: ATP(3-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:57300 +name: clavaminic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57301 +name: dihydroclavaminic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57302 +name: proclavaminic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57303 +name: deoxyamidinoproclavaminic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57304 +name: N(2)-(2-carboxyethyl)-L-arginine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57305 +name: glycine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57306 +name: protoporphyrin(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:57307 +name: protoporphyrinogen(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57308 +name: uroporphyrinogen III(8-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +is_a: CHEBI:63068 ! octacarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57309 +name: coproporphyrinogen III(4-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57310 +name: presqualene diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57311 +name: (1-hydroxycyclohexyl)acetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57312 +name: (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57313 +name: (2R)-2-methylacyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57314 +name: (2S)-2-methylacyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57315 +name: (R)-3-hydroxybutanoyl-CoA(4-) +is_a: CHEBI:138609 ! short-chain (R)-3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57316 +name: (S)-3-hydroxybutanoyl-CoA(4-) +is_a: CHEBI:136760 ! short-chain (3S)-hydroxy fatty acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57317 +name: (3S)-3-carboxy-3-hydroxypropanoyl-CoA(5-) +is_a: CHEBI:136881 ! 3-carboxy-3-hydroxypropanoyl-CoA(5-) + +[Term] +id: CHEBI:57318 +name: (S)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) + +[Term] +id: CHEBI:57319 +name: (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) + +[Term] +id: CHEBI:57320 +name: citramalyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57321 +name: (3S)-citryl-CoA(6-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57322 +name: trans-tetradec-11-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:57323 +name: cis-tetradec-11-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) + +[Term] +id: CHEBI:57324 +name: cinnamoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57325 +name: (E,E)-piperonyl-CoA(4-) +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57326 +name: (R)-methylmalonyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57327 +name: (S)-methylmalonyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57328 +name: 3'-dephospho-CoA(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57329 +name: 2,4-dichlorobenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57330 +name: trans-dodec-2-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57331 +name: anthraniloyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57332 +name: crotonoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57333 +name: 2-furoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57334 +name: 2-hydroxyphytanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57335 +name: 2-methylacetoacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57336 +name: 2-methylbutanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57337 +name: 2-methylcrotonoyl-CoA(4-) +is_a: CHEBI:57260 ! 2-methylbut-2-enoyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57338 +name: isobutyryl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57339 +name: 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57340 +name: 3-hydroxy-2-methylpropanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57341 +name: 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) + +[Term] +id: CHEBI:57342 +name: 3-hydroxybenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57343 +name: 3-hydroxypimeloyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) + +[Term] +id: CHEBI:57344 +name: 3-methylbut-2-enoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57345 +name: isovaleryl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57346 +name: trans-3-methylglutaconyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57347 +name: 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +is_a: CHEBI:90726 ! 3-oxoacyl-CoA(4-) + +[Term] +id: CHEBI:57348 +name: 3-oxoadipyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57349 +name: 3-oxopalmitoyl-CoA(4-) +is_a: CHEBI:136758 ! long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57350 +name: 3-oxopimeloyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57351 +name: 4,8,12-trimethyltridecanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57352 +name: 4-aminobutanoyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57353 +name: trans-4-carboxybut-2-enoyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57354 +name: 4-chlorobenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57355 +name: 4-coumaroyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57356 +name: 4-hydroxybenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57357 +name: 5-hydroxypentanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57358 +name: 5-hydroxythiophene-2-carbonyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57359 +name: 2,3-didehydropimeloyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57360 +name: pimeloyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57361 +name: 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57362 +name: beta-alanyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57363 +name: gamma-linolenoyl-CoA(4-) +is_a: CHEBI:139563 ! octadecatrienoyl-CoA(4-) +is_a: CHEBI:76187 ! gamma-linolenoyl bioconjugate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57364 +name: 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57365 +name: 5-hydroxy-2-furoyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57366 +name: L-3-aminobutanoyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:57367 +name: acryloyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57368 +name: arachidonoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57369 +name: benzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57370 +name: biotinyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57371 +name: butyryl-CoA(4-) +is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57372 +name: caffeoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57373 +name: choloyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138842 ! 3alpha-hydroxy bile acid CoA thioester(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57374 +name: cyclohexa-1,5-diene-1-carbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57375 +name: lauroyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57376 +name: formyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57377 +name: cis-geranoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57378 +name: glutaryl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57379 +name: palmitoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57380 +name: icosanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:57381 +name: itaconyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57382 +name: lactoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57383 +name: linoleoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) + +[Term] +id: CHEBI:57384 +name: malonyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57385 +name: myristoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57386 +name: octanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57387 +name: oleoyl-CoA(4-) +is_a: CHEBI:139567 ! octadecenoyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57388 +name: oxalyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) + +[Term] +id: CHEBI:57389 +name: pentanoyl-CoA(4-) +is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57390 +name: phenylacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57391 +name: phytanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) +is_a: CHEBI:83968 ! 3-methyl fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57392 +name: propionyl-CoA(4-) +is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57393 +name: sinapoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57394 +name: stearoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57395 +name: thiophene-2-carbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57396 +name: vinylacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:57397 +name: prostaglandin E1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57398 +name: prostaglandin A1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57399 +name: prostaglandin C1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57400 +name: 15-dehydro-prostaglandin E2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:57401 +name: 15-dehydro-prostaglandin E1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57402 +name: 13,14-dihydro-15-oxo-prostaglandin E2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:57403 +name: prostaglandin I2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57404 +name: prostaglandin F2alpha(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57405 +name: prostaglandin H2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +is_a: CHEBI:62933 ! oxylipin anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57406 +name: prostaglandin D2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57407 +name: 15-dehydro-prostaglandin I2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:57408 +name: 15-dehydro-prostaglandin D2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion + +[Term] +id: CHEBI:57409 +name: 15(S)-HETE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:57410 +name: 15-oxo-ETE(1-) +is_a: CHEBI:131859 ! oxo-ETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:57411 +name: (15Z)-12-oxophyto-10,15-dienoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57412 +name: (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57413 +name: (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57414 +name: (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57415 +name: N-(carboxylatoaminomethyl)urea +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:57416 +name: D-alanine zwitterion +is_a: CHEBI:66916 ! alanine zwitterion + +[Term] +id: CHEBI:57417 +name: 2,3-dihydroxybenzoyl 5'-adenylate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57418 +name: (2-aminoethyl)phosphonic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57421 +name: (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57422 +name: (2R,3S)-2,3-dimethylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57423 +name: (R)-2-ethylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57424 +name: (R)-3,3-dimethylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57425 +name: 3-ethylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57426 +name: sinapoyl (S)-malate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57427 +name: L-leucine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57428 +name: (3R)-beta-leucine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57429 +name: (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate +is_a: CHEBI:141790 ! 3-hydroxybutane-1,2,3-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57430 +name: (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57431 +name: N-(ammoniomethyl)urea +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57432 +name: gibberellin A12 aldehyde(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion + +[Term] +id: CHEBI:57433 +name: sarcosine zwitterion +is_a: CHEBI:66884 ! N-alkylglycine zwitterion + +[Term] +id: CHEBI:57434 +name: (3S)-3,6-diammoniohexanoate +is_a: CHEBI:33703 ! amino-acid cation + +[Term] +id: CHEBI:57435 +name: (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57436 +name: (3S,5S)-3,5-diammoniohexanoate +is_a: CHEBI:33703 ! amino-acid cation + +[Term] +id: CHEBI:57437 +name: (2R,3Z)-phycocyanobilin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:57438 +name: (3Z)-phycoerythrobilin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:57439 +name: (3Z)-phytochromobilin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:57440 +name: N-ethylglycine zwitterion +is_a: CHEBI:66884 ! N-alkylglycine zwitterion + +[Term] +id: CHEBI:57441 +name: 2,3-diketogulonate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57442 +name: (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57443 +name: S-adenosylmethioninaminium +is_a: CHEBI:26830 ! sulfonium compound +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57444 +name: 12(S)-HPETE(1-) +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57445 +name: thromboxane A2(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62945 ! thromboxane anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57446 +name: 15(S)-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57447 +name: 8(R)-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion + +[Term] +id: CHEBI:57448 +name: (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57449 +name: (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57450 +name: 5(S)-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57451 +name: dihydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:67014 ! dihydrofolates +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57452 +name: 10-formyldihydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:67014 ! dihydrofolates + +[Term] +id: CHEBI:57453 +name: (6S)-5,6,7,8-tetrahydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57454 +name: 10-formyltetrahydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57455 +name: (6R)-5,10-methenyltetrahydrofolate +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:67016 ! tetrahydrofolate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57456 +name: 5-formimidoyltetrahydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57457 +name: (6S)-5-formyltetrahydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57458 +name: (S)-NADHX(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57459 +name: (6S)-6-hydroxyhyoscyaminium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57460 +name: 20-hydroxy-leukotriene B4(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57461 +name: leukotriene B4(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:62942 ! leukotriene anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57462 +name: leukotriene E4(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:62942 ! leukotriene anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57463 +name: leukotriene A4(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62942 ! leukotriene anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57464 +name: 5'-xanthylate(2-) +is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57466 +name: 13(S)-HPODE(1-) +is_a: CHEBI:90823 ! 13-HPODE(1-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57467 +name: (11S)-11-hydroperoxylinoleate +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion + +[Term] +id: CHEBI:57468 +name: 7(S),8(S)-DiHODE(1-) +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57469 +name: (2E)-2-(methoxycarbonylmethyl)but-2-enedioate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57470 +name: (2E)-3-(methoxycarbonyl)pent-2-enedioate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57471 +name: (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57472 +name: (N(omega)-L-arginino)succinate(1-) +is_a: CHEBI:35753 ! tricarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57473 +name: 3'-demethylstaurosporinium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57474 +name: (R)-S-lactoylglutathionate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57475 +name: D-4-hydroxyphenylglycine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:57476 +name: L-homoserine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57477 +name: dTDP-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57478 +name: alpha-maltose 6'-phosphate(2-) +is_a: CHEBI:91177 ! maltose 6'-phosphate(2-) + +[Term] +id: CHEBI:57479 +name: 2,6-dioxo-6-phenylhexanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57480 +name: 2,3-dihydrobiochanin A(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57481 +name: UTP(3-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:57482 +name: streptomycin 3''-phosphate(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:57483 +name: sedoheptulose 7-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57484 +name: trimethylenediaminium +is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57485 +name: carnosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57486 +name: 4-guanidinobutanoic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57487 +name: pyruvate oxime +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57488 +name: hydrogen phosphonatoacetate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57490 +name: N-carbamoylsarcosinate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57491 +name: staurosporinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57492 +name: isopropylaminium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57493 +name: pseudotropinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57495 +name: 2-aminomuconate 6-semialdehyde(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57496 +name: 3-carboxy-cis,cis-muconate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57497 +name: dolichyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57498 +name: ADP alpha-D-glucoside(2-) +is_a: CHEBI:138068 ! ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) +is_a: CHEBI:76533 ! NDP-alpha-D-glucose(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57499 +name: 2-oxoadipate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:35903 ! oxo carboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57501 +name: (S)-4-amino-5-oxopentanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57502 +name: nicotinate D-ribonucleotide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57503 +name: anthocyanidin 3,5-di-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:57504 +name: L-dopa zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57505 +name: N-benzoyl-D-argininium-4-nitroanilide(1+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:57506 +name: 3,5-diiodo-L-tyrosinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57508 +name: D-erythritol 4-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57509 +name: L-dopachromate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57510 +name: dTDP-6-deoxy-beta-L-mannose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57511 +name: cephalosporin C(1-) +is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion + +[Term] +id: CHEBI:57512 +name: N-acyl-D-aspartate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59876 ! N-acyl-D-alpha-amino acid anion + +[Term] +id: CHEBI:57513 +name: N-acetyl-D-glucosamine 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57514 +name: 1-(alk-1-enyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77578 ! monoalkyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77611 ! monoalk-1-enyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:78203 ! 1-(alk-1-enyl)-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:57515 +name: 3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine zwitterion +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:57516 +name: deoxylimononate D-ring-lactone(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57518 +name: 1-palmitoyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:63582 ! 1-palmitoylglycerol 3-phosphate(2-) + +[Term] +id: CHEBI:57519 +name: alpha,beta-didehydrotryptophanate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:57520 +name: D-octopine dizwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion + +[Term] +id: CHEBI:57521 +name: beta-L-arabinose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57522 +name: 12-dehydrotetracycline zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57523 +name: dolichyl D-mannosyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57524 +name: O-phosphonato-L-serine(2-) +is_a: CHEBI:67032 ! O-phosphonatooxyserine(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57525 +name: dolichyl beta-D-glucosyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57526 +name: N(6)-(dimethylallyl)adenosine 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57527 +name: GDP-alpha-D-mannose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57528 +name: 5-hydroxy-6-methylpyridine-3-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57529 +name: 17alpha-estradiol 3-glucosiduronate +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate + +[Term] +id: CHEBI:57531 +name: L-serine O-sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:57532 +name: 8-amino-7-oxononanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57533 +name: geranylgeranyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57534 +name: 1-acylglycerone 3-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57535 +name: 4-phosphonato-L-aspartic acid(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57536 +name: (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion + +[Term] +id: CHEBI:57537 +name: N-acylneuraminate 9-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57538 +name: orotidine 5'-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57539 +name: 1D-myo-inositol 3,4,5,6-tetrakisphosphate(8-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57540 +name: NAD(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:13193 ! hydrogen acceptor +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57541 +name: 2-(alpha-D-mannosyl)-D-glycerate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:57542 +name: aryl(methyl)malonate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57543 +name: 3-(uracil-1-yl)-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57545 +name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57547 +name: CDP-N-methylethanolamine(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57548 +name: o-orsellinate depsidate(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57549 +name: N(2)-(carboxylatoacetyl)-D-tryptophanate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57551 +name: S-methyl 3-O-phosphonato-1-thio-D-glycerate(2-) +is_a: CHEBI:51277 ! thioester +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57552 +name: 2-oxopropyl-CoM(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:57553 +name: P(1),P(4)-bis(5'-guanosyl) tetraphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57554 +name: tropinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57555 +name: L-2-amino-4-chloropent-4-enoic acid zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:57556 +name: S-(3-carboxylatopropanoyl)glutathionate(2-) +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:57557 +name: (R)-5-diphosphonatomevalonate(4-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57558 +name: trans-2,3-epoxysuccinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:57559 +name: alpha-D-xylose 1-phosphate(2-) +is_a: CHEBI:140358 ! monosaccharide 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57560 +name: long-chain fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:57561 +name: L-threonate +is_a: CHEBI:15243 ! threonate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57562 +name: (R)-2-hydroxyoctadecanoate +is_a: CHEBI:76724 ! 2-hydroxyoctadecanoate + +[Term] +id: CHEBI:57563 +name: 2-amino-4-oxopentanoic acid zwitterion +is_a: CHEBI:78608 ! alpha-amino acid zwitterion + +[Term] +id: CHEBI:57564 +name: ADP-L-glycero-D-manno-heptose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57565 +name: serine phosphoethanolamine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57566 +name: 2'-deoxycytosine 5'-monophosphate(2-) +is_a: CHEBI:142209 ! pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57567 +name: N(6)-(1,2-dicarboxylatoethyl)-AMP(4-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57569 +name: 2-dehydro-3-deoxy-6-phosphonato-D-gluconate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:57570 +name: dolichyl diphosphooligosaccharide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57572 +name: UDP-D-apiose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57575 +name: trans-5-O-(4-coumaroyl)-D-quinate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57576 +name: 2,3-dihydroxy-2,3-dihydrobenzoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57577 +name: poly(glycerol phosphate) anion macromolecule +is_a: CHEBI:37997 ! homopolymer macromolecule +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57578 +name: 6-O-methylnorlaudanosolinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57579 +name: D-fructose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57580 +name: diphthamide zwitterion +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:57581 +name: (S)-coclaurinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57582 +name: dTDP-4-amino-4,6-dideoxy-D-glucose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57583 +name: 6-imino-5-oxocyclohexa-1,3-diene-1-carboxylate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57584 +name: aldehydo-D-glucose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57585 +name: discadenine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57586 +name: biotinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57587 +name: stipitatate(2-) +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57588 +name: phosphatidyl-N-methylethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57589 +name: O-acetyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:73024 ! O-acetylcarnitine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57590 +name: O-phosphonato-L-homoserine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57592 +name: cyclohexylsulfamate +is_a: CHEBI:61660 ! organic sulfamate oxoanion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:57593 +name: 3-guanidinopropanoic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57594 +name: O-carbamoyl-L-serine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57595 +name: L-histidine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +is_a: CHEBI:62031 ! polar amino acid zwitterion + +[Term] +id: CHEBI:57596 +name: dTDP-4-amino-4,6-dideoxy-D-galactose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57597 +name: sn-glycerol 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57598 +name: 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57599 +name: N-acyl-D-glucosamine 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57600 +name: GTP(3-) +is_a: CHEBI:37121 ! guanosine 5'-phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57601 +name: 2-methylpropanaminium +is_a: CHEBI:58001 ! primary aliphatic ammonium ion + +[Term] +id: CHEBI:57602 +name: (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57603 +name: ethanolaminium(1+) +is_a: CHEBI:58001 ! primary aliphatic ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57604 +name: 3-phosphonato-D-glyceroyl phosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57605 +name: adenin-9-yl riburonosate(1-) +is_a: CHEBI:26394 ! purine nucleoside +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57606 +name: 5-oxoprolinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57607 +name: oleandomycin 2'-O-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57608 +name: CDP-ribitol(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57609 +name: (2S,6S)-2,6-diaminopimelic acid dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:57610 +name: N(alpha),N(alpha)-dimethyl-L-histidine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57612 +name: phosphonatoguanidiniumylacetate(2-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57613 +name: phosphatidylethanolamine zwitterion +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion + +[Term] +id: CHEBI:57614 +name: ITP(3-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57616 +name: L-methioninium residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:57617 +name: alpha-D-galactosyl undecaprenyl diphosphate(2-) +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57618 +name: FMNH2(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57619 +name: CDP-abequose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57620 +name: poly(ribitol phosphate) polyanion +is_a: CHEBI:26172 ! poly(ribitol phosphate)s +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57621 +name: 2-benzylsuccinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:57623 +name: prenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59544 ! phosphoantigen +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57626 +name: limonin 17-beta-D-glucoside(1-) +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:23931 ! epoxy monocarboxylic acid +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57627 +name: 1D-myo-inositol 1,4,5,6-tetrakisphosphate(8-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57628 +name: 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57629 +name: D-glucopyranose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:57630 +name: gamma-amino-beta-hydroxybutyric acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57631 +name: dTDP-L-dihydrostreptose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57632 +name: UDP-alpha-D-xylose(2-) +is_a: CHEBI:140359 ! UDP-monosaccharide(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57633 +name: (S)-3-(indol-3-yl)-2-oxobutyrate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57634 +name: beta-D-fructofuranose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:57635 +name: UDP-alpha-D-galacturonate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57637 +name: 2-methylene-3-methylsuccinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57638 +name: GDP-6-deoxy-alpha-D-talose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57639 +name: 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:57640 +name: 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57641 +name: 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:36683 ! organochlorine compound + +[Term] +id: CHEBI:57642 +name: glycerone phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57643 +name: 1,2-diacyl-sn-glycero-3-phosphocholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:64482 ! phosphatidylcholine + +[Term] +id: CHEBI:57644 +name: chlorogenate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:57646 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide anion +is_a: CHEBI:21619 ! N-acetylneuraminates +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57647 +name: 3-(4-hydroxy-3,5-diiodophenyl)lactate +is_a: CHEBI:37142 ! organoiodine compound + +[Term] +id: CHEBI:57649 +name: dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57651 +name: 2-deoxy-D-ribose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57652 +name: chondroitin D-glucuronate anion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:57653 +name: 2-deoxy-D-gluconate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:57654 +name: undecaprenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57655 +name: 3-dehydro-L-gulonate +is_a: CHEBI:33721 ! carbohydrate acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57656 +name: 1-guanidino-1-deoxy-scyllo-inositol 4-phosphate(1-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:57657 +name: 11-O-demethyl-17-O-deacetylvindolinium(1+) +is_a: CHEBI:60082 ! vinca alkaloid cation + +[Term] +id: CHEBI:57658 +name: 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83191 ! phosphatidylinositol bisphosphate(5-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57660 +name: myo-inositol 1,3,4,6-tetrakisphosphate(8-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57661 +name: O-succinyl-L-homoserinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:57662 +name: S-carboxylatomethyl-L-cysteine(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:57663 +name: 2-caffeoylisocitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57664 +name: 6-hydroxynicotinate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:38182 ! monohydroxypyridine + +[Term] +id: CHEBI:57665 +name: neryl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57666 +name: N-acyl-D-mannosamine 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57667 +name: dADP(3-) +is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57668 +name: D-ornithinium(1+) +is_a: CHEBI:33703 ! amino-acid cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57670 +name: N-acylglycinate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:57671 +name: 1-ammonio-1-deoxy-scyllo-inositol +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57672 +name: 7-O-acetylsalutaridinol(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57673 +name: 2'-deoxyguanosine 5'-monophosphate(2-) +is_a: CHEBI:142198 ! purine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57674 +name: N-acylsphingosine 1-phosphate(2-) +is_a: CHEBI:84404 ! ceramide 1-phosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57676 +name: questin-2-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57677 +name: sn-3-O-(geranylgeranyl)glycerol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57678 +name: 3-mercaptopyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57679 +name: hypotaurocyamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:5768 +name: (1E,4E,8E)-alpha-humulene +is_a: CHEBI:49311 ! alpha-humulene + +[Term] +id: CHEBI:57680 +name: sinapoyltartronate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57681 +name: cis-2-chloro-4-carboxylatomethylenebut-2-en-1,4-olide +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57682 +name: coformycin(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:57683 +name: dolichyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57684 +name: beta-D-glucose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:57685 +name: sn-glycerol 1-phosphate(2-) +is_a: CHEBI:231935 ! glycerol 1-phosphate(2-) +relationship: has_role CHEBI:78947 ! archaeal metabolite + +[Term] +id: CHEBI:57688 +name: S-formylglutathionate(1-) +is_a: CHEBI:60334 ! peptide anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57689 +name: 2,2-dialkylglycine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57690 +name: cis-4-hydroxy-D-proline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57691 +name: N(6)-acyl-L-lysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57692 +name: FAD(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57693 +name: aldehydo-D-arabinose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:57694 +name: quercetin-7-olate +is_a: CHEBI:58588 ! flavonol oxoanion + +[Term] +id: CHEBI:57695 +name: D-ribitol 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57697 +name: deaminohydroxyblasticidin S(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57698 +name: 2-(acetamidomethylidene)succinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57699 +name: L-histidinol(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57700 +name: 2-methyl-3-oxopropanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57701 +name: 5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57702 +name: N-acetyl-L-phenylalaninate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:57703 +name: 2-nitrophenolate +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:57704 +name: cationic chitosan +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57705 +name: UDP-N-acetyl-alpha-D-glucosamine(2-) +is_a: CHEBI:140359 ! UDP-monosaccharide(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57706 +name: 4-oxobutanoate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion +is_a: CHEBI:71944 ! aldehydic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57707 +name: 2,3-bis-O-(geranylgeranyl)glycerol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57708 +name: benzoylagmatinium +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:57709 +name: 2-amino-3-oxo-4-(phosphonatooxy)butanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57710 +name: 5,12-dihydroxanthommatin(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:57711 +name: all-trans-octaprenyl diphosphate(2-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) + +[Term] +id: CHEBI:57712 +name: 2-hydroxy-3-oxoadipate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57713 +name: 3-(2-carboxylatoethenyl)-cis,cis-muconate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57714 +name: 2-ureidoglycine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:57715 +name: UDP-N-acetyl-D-mannosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57716 +name: O-acetyl-L-homoserine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57718 +name: barbiturate(2-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57719 +name: D-tryptophan zwitterion +is_a: CHEBI:64554 ! tryptophan zwitterion + +[Term] +id: CHEBI:57720 +name: alpha-D-ribose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57721 +name: 3-amino-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57722 +name: N(2),N(5)-dibenzoyl-L-ornithinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:57723 +name: sucrose 6(F)-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57724 +name: dCTP(3-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57726 +name: D-proline zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion + +[Term] +id: CHEBI:57727 +name: N-formylmethanofuran(5-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:57728 +name: morphiniumone(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57729 +name: 3alpha-hydroxyglycyrrhetinate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57730 +name: 2-hydroxy-4-nitrophenolate +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:57731 +name: (R)-3-aminoisobutyric acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57732 +name: 4-carboxylato-2-hydroxyhexa-2,4-dienedioate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57733 +name: myo-inositol 1,3,4,5,6-pentakisphosphate(10-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57734 +name: alpha-D-hexose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57735 +name: 2-oxosuccinamate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57736 +name: UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57737 +name: D-xylulose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57738 +name: 2-arylpropionate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:57739 +name: phosphatidate(2-) +is_a: CHEBI:62643 ! anionic phospholipid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57740 +name: L-5-carboxylatomethylhydantoin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57741 +name: phenylethanolaminium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57742 +name: guanidinoacetic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57743 +name: L-citrulline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite + +[Term] +id: CHEBI:57744 +name: 2-(alpha-D-mannosyl)-3-phosphonatoglycerate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57745 +name: 4-hydroxy-1-pyrroline-2-carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57746 +name: 3',5'-cyclic GMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57747 +name: 3-(pyrazol-1-yl)-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57750 +name: N(tele)-methyl-L-histidinium residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:57752 +name: (S)-3-(imidazol-5-yl)lactate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57753 +name: vindolinium(1+) +is_a: CHEBI:60082 ! vinca alkaloid cation + +[Term] +id: CHEBI:57754 +name: trans-5-O-caffeoyl-D-quinate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:57755 +name: (R)-N-methylcoclaurinium +is_a: CHEBI:38818 ! N-methylcoclaurine + +[Term] +id: CHEBI:57756 +name: sphingosine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57757 +name: D-threonine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion + +[Term] +id: CHEBI:57758 +name: N(3)-(carboxylatoformyl)-L-2,3-diaminopropionate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:57759 +name: gossypetin-3-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57760 +name: 3-oxoglycyrrhetinate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57761 +name: pyridoxaminium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57762 +name: L-valine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:57763 +name: limonoate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57764 +name: 1-deoxy-D-altro-heptulose 7-phosphate(2-) +is_a: CHEBI:35133 ! ketoheptose phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57766 +name: 3-(imidazol-4-yl)-2-oxopropyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57767 +name: mono(glucosyluronic acid)bilirubin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57768 +name: 4-coumaroylshikimate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57769 +name: precorrin-4(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:57770 +name: trans-caffeate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57771 +name: UDP-N-acetyl-3-O-(1-carboxylatovinyl)-D-glucosamine(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57772 +name: N-acetyl-L-histidinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +is_a: CHEBI:66998 ! histidinate derivative + +[Term] +id: CHEBI:57773 +name: N-(carboxylatomethyl)-D-alanine +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:57774 +name: 2-acetyllactate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57775 +name: stipitaton-4-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57776 +name: N-acetyl-alpha-D-glucosamine 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57777 +name: 1,4,5,6-tetrahydro-6-oxonicotinate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57778 +name: triacetate lactone oxoanion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57779 +name: tauropinate(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:57781 +name: N-methylethanolaminium phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57782 +name: cortisol 21-sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:57783 +name: NADPH(4-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +relationship: has_role CHEBI:17499 ! hydrogen donor +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57784 +name: 2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57787 +name: streptomycin 6-phosphate(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:57788 +name: isonocardicin A(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:57790 +name: benzyl cetraxate(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57791 +name: meso-2,6-diaminopimelic acid dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57792 +name: 1-deoxy-D-xylulose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57794 +name: dGTP(3-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57795 +name: 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83189 ! phosphatidylinositol monophosphate(3-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57797 +name: dihydrostreptomycin 6-phosphate(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:57798 +name: 1D-myo-inositol 1,2,4,5,6-pentakisphosphate(10-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:57799 +name: 4',5-dihydroxy-3'-methoxyflavon-7-olate(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57800 +name: 3-ADP-glycerate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57801 +name: cyclotriphosphate(3-) +is_a: CHEBI:15266 ! triphosphate ion +is_a: CHEBI:79387 ! trivalent inorganic anion + +[Term] +id: CHEBI:57803 +name: L-tryptophanamide(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57804 +name: L-serine phosphoethanolamine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57805 +name: N(2)-acetyl-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57806 +name: UDP-N-acetyl-D-galactosamine 4,6-bissulfate(4-) +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57807 +name: UDP-2-acetamido-4-amino-2,4,6-trideoxy-D-glucose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57808 +name: xanthommatin(1-) +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:57809 +name: N-formyl-L-methioninate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:57810 +name: UDP-4-dehydro-6-deoxy-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57811 +name: sym-homospermidinium(3+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57812 +name: CMP-N-acetyl-beta-neuraminate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57813 +name: quercetin 3,3',7-trissulfate(3-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57814 +name: triacetate(1-) +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion + +[Term] +id: CHEBI:57815 +name: luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)] +is_a: CHEBI:60038 ! flavonoid oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:57817 +name: sphinganine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57818 +name: 5,10-methylenetetrahydromethanopterin(3-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57819 +name: quinolin-4(1H)-one-3-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57820 +name: N(6)-hydroxy-L-lysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57822 +name: D-alanyl-D-alanine zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:57823 +name: 4-CDP-2-C-methyl-D-erythritol(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57824 +name: oxalurate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57825 +name: L-lombricine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57826 +name: 6-aminohexanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57828 +name: D-hamamelose 2(1)-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57829 +name: L-xylulose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:57830 +name: cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:57831 +name: glycerol 1,2-cyclic phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57832 +name: 1,2-diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol(1-) +is_a: CHEBI:21619 ! N-acetylneuraminates +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57833 +name: N-benzoyl-4-hydroxyanthranilate +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:57834 +name: spermidine(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:57835 +name: glutathionylspermidinium(2+) +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:60194 ! peptide cation + +[Term] +id: CHEBI:57836 +name: 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83193 ! phosphatidylinositol trisphosphate(7-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57837 +name: dTDP-4-dehydro-6-deoxy-D-galactose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57838 +name: N-phosphonatotaurocyamine(2-) +is_a: CHEBI:60345 ! organic phosphoramidate anion + +[Term] +id: CHEBI:57839 +name: 3-dehydro-2-deoxy-D-gluconate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:57840 +name: methylguanidinium +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:57841 +name: 4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57842 +name: vitexin 2''-O-beta-D-glucoside(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57843 +name: L-selenocysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57844 +name: L-methionine zwitterion +is_a: CHEBI:64558 ! methionine zwitterion + +[Term] +id: CHEBI:57845 +name: preuroporphyrinogen(8-) +is_a: CHEBI:59252 ! linear tetrapyrrole anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57846 +name: L-fuculose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57847 +name: UDP-N-acetyl-D-galactosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57848 +name: 1,4-diguanidiniumylbutane +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:57849 +name: (R)-4-dehydropantoate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57850 +name: 3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-D-galactosamine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:57851 +name: tropiniumone +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57852 +name: prephenate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:57853 +name: hypotaurine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57854 +name: 4-guanidiniumylbutanal +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:57855 +name: protochlorophyllide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:57856 +name: S-adenosyl-L-homocysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57857 +name: N-acetyl-beta-alaninate +is_a: CHEBI:49095 ! beta-amino-acid anion + +[Term] +id: CHEBI:57858 +name: atropinium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:57859 +name: 5-(3-carboxylato-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57861 +name: dethiobiotin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57862 +name: diphthamide(2+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:57863 +name: ADP-D-glycero-D-manno-heptose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57864 +name: (4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57865 +name: uridine 5'-monophosphate(2-) +is_a: CHEBI:138238 ! pyrimidine ribonucleoside 5'-monophosphate(2-) +is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate +is_a: CHEBI:26446 ! pyrimidine ribonucleotide +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57866 +name: 3-methylthiopropylaminium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57867 +name: nucleoside 5'-phosphate dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57868 +name: N-sulfo-D-glucosamine(1-) +is_a: CHEBI:61660 ! organic sulfamate oxoanion + +[Term] +id: CHEBI:57869 +name: 6-aminopenicillanic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57870 +name: D-ribulose 1,5-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57871 +name: codeine(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57872 +name: (Z)-but-2-ene-1,2,3-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57873 +name: (S)-reticulinium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57875 +name: 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:11502 ! 2-acylglycerophosphocholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:78192 ! 1-lysophosphatidylcholine +is_a: CHEBI:84465 ! acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:57876 +name: CDP-ethanolamine(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57877 +name: N-acetyl-D-tryptophanate +is_a: CHEBI:59876 ! N-acyl-D-alpha-amino acid anion + +[Term] +id: CHEBI:57878 +name: 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:57879 +name: 4-methylene-L-glutamine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57880 +name: 1-phosphatidyl-1D-myo-inositol(1-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:78231 ! 1,2-diacylglycero-3-phospho-1-inositol(1-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57882 +name: erythro-5-phosphonatoooxy-L-lysinium(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57883 +name: 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57885 +name: 3-dehydrocarnitine +is_a: CHEBI:35284 ! ammonium betaine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57886 +name: 2'-deoxy-5-methyl-5'-cytidylate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57887 +name: tryptaminium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57888 +name: 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57889 +name: N(5)-(L-1-carboxyethyl)-L-ornithine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57890 +name: adenosine 5'-phosphoramidate(1-) +is_a: CHEBI:60345 ! organic phosphoramidate anion + +[Term] +id: CHEBI:57891 +name: trans-2-chloro-4-carboxylatomethylenebut-2-en-1,4-olide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57892 +name: 3-(dioxido-lambda(5)-azanylidene)propanoate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:57893 +name: tabersoninium(1+) +is_a: CHEBI:60521 ! indole alkaloid cation + +[Term] +id: CHEBI:57894 +name: berbamuninium(2+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57895 +name: 1D-myo-inositol 1,3,4,5-tetrakisphosphate(8-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57896 +name: diisopropyl phosphate(1-) +is_a: CHEBI:58944 ! dialkyl phosphate anion + +[Term] +id: CHEBI:57897 +name: 1-phosphonato-alpha-D-glucuronate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:57899 +name: 15,16-dihydrobiliverdin(2-) +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:57900 +name: oxidized Photinus luciferin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:57901 +name: L-threo-3-phenylserine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57902 +name: 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57903 +name: [1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57904 +name: D-glucose 6-sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:57905 +name: dehydroepiandrosterone sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57906 +name: trans-4-hydroxycyclohexanecarboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57907 +name: all-trans-pentaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57908 +name: N-benzoyl-D-arginine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57909 +name: kanamycin A 3'-phosphate(2+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57912 +name: L-tryptophan zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +is_a: CHEBI:64554 ! tryptophan zwitterion + +[Term] +id: CHEBI:57914 +name: kievitone-7-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57915 +name: L-gamma-glutamyl-D-alaninate(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:57916 +name: 3-hexaprenyl-4-hydroxy-5-methoxybenzoate +is_a: CHEBI:84443 ! 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57917 +name: 4-nitrophenolate +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:57918 +name: alpha-ribazole 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57919 +name: 4-CDP-2-C-methyl-D-erythritol 2-phosphate(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57920 +name: bis(3-azaniumylpropyl)azanium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57921 +name: N(3')-acetyl-2-deoxystreptamine antibiotic(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57922 +name: coenzyme gamma-F420-2(5-) +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:35753 ! tricarboxylic acid anion +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:59535 ! pyrimidoquinolines + +[Term] +id: CHEBI:57923 +name: 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83191 ! phosphatidylinositol bisphosphate(5-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57924 +name: L-dopaquinone zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57925 +name: glutathionate(1-) +is_a: CHEBI:60334 ! peptide anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57926 +name: L-threonine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57927 +name: oxaloacetate 4-methyl ester +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57928 +name: 3',4',5-trihydroxy-3-methoxyflavon-7-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57929 +name: 7''-O-phosphohygromycin B(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57930 +name: nucleoside 5'-diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57931 +name: D-ribofuranosyl-ADP(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57932 +name: D-methionine zwitterion +is_a: CHEBI:64558 ! methionine zwitterion + +[Term] +id: CHEBI:57933 +name: oleandomycin(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57934 +name: psychosine(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57935 +name: oxidized Watasenia luciferin(2-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion + +[Term] +id: CHEBI:57936 +name: N-acetyl-L-gamma-glutamyl phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57937 +name: 2-aminomuconate(2-) +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57938 +name: trans-3-hydroxy-L-proline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57939 +name: sphinganine 1-phosphate(1-) +is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57940 +name: 3-sulfonatopyruvate(2-) +is_a: CHEBI:134249 ! alkanesulfonate oxoanion +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57942 +name: chlorophyllide a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:57945 +name: NADH(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:17499 ! hydrogen donor +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57946 +name: N-methylphenylethanolaminium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57947 +name: creatine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57948 +name: 5-oxo-D-prolinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:57949 +name: 6-phosphonato-5-dehydro-2-deoxy-D-gluconate(3-) +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57951 +name: L-saccharopinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35753 ! tricarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57952 +name: sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57953 +name: UDP-N-acetylmuramoyl-L-alaninate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57954 +name: 3-cyano-L-alaninate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +is_a: CHEBI:66934 ! cyanoamino acid anion + +[Term] +id: CHEBI:57955 +name: 6-O-phosphonato-D-glucono-1,5-lactone(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57956 +name: 3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:57957 +name: lipid X(2-) +is_a: CHEBI:137180 ! 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57958 +name: (R)-2,4-dihydroxy-3-oxobutanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57959 +name: L-kynurenine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57962 +name: 5-hydroxymethyldeoxycytidylate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:57963 +name: vitexin-7-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:57964 +name: GDP-4-dehydro-6-deoxy-alpha-D-mannose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57965 +name: deacetoxyvindolinium(1+) +is_a: CHEBI:60082 ! vinca alkaloid cation + +[Term] +id: CHEBI:57966 +name: beta-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57967 +name: ADP-D-ribose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57968 +name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:57969 +name: imidazol-4-ylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57970 +name: 1-acyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:78166 ! 2-lysophosphatidate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57971 +name: hygromycin B(3+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57972 +name: L-alanine zwitterion +is_a: CHEBI:66916 ! alanine zwitterion + +[Term] +id: CHEBI:57973 +name: leukotriene C4(2-) +is_a: CHEBI:60334 ! peptide anion +is_a: CHEBI:62942 ! leukotriene anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57974 +name: O-(3-O-D-galactosyl-N-acetyl-beta-D-galactosaminyl)-L-serine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57975 +name: 1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium +is_a: CHEBI:50334 ! pyridinium ion + +[Term] +id: CHEBI:57976 +name: 2-(carboxylatomethyl)-5-oxo-2,5-dihydrofuran-2-ide-3-carboxylate +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:57977 +name: bilirubin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57978 +name: 2-hydroxy-3-oxopropanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:57979 +name: 2-(carboxylatomethyl)-5-oxo-2,5-dihydro-2-furoate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57980 +name: L-histidinol phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57981 +name: D-phenylalanine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion + +[Term] +id: CHEBI:57982 +name: 1-acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:57984 +name: GDP-L-fucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57985 +name: S-inosyl-L-homocysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57986 +name: riboflavin(1-) +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:57987 +name: 2-hydroxyadipate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:57988 +name: allysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:57989 +name: 2-dehydro-3-deoxy-D-galactonate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:57990 +name: 2-dehydro-3-deoxy-D-gluconate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:57991 +name: biliverdin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:57992 +name: 2-(carboxylatomethoxy)succinate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:57993 +name: (S)-N-methylcoclaurinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57994 +name: 2,3,5,6-tetrachlorobenzene-1,4-bis(olate) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:57995 +name: all-trans-undecaprenyl diphosphate(3-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) + +[Term] +id: CHEBI:57996 +name: nororientalinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:57997 +name: 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:57998 +name: 3-phosphoglycerate(3-) +is_a: CHEBI:132960 ! 3-phosphoglycerate +is_a: CHEBI:61304 ! phosphoglycerate + +[Term] +id: CHEBI:57999 +name: 1-carboxylatovinyl carboxylatophosphonate(3-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:58000 +name: D-glutamine zwitterion +is_a: CHEBI:17061 ! D-glutamine +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58001 +name: primary aliphatic ammonium ion +is_a: CHEBI:65296 ! primary ammonium ion + +[Term] +id: CHEBI:58002 +name: L-erythrulose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58003 +name: 3',5'-cyclic CMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58004 +name: 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58005 +name: N-amidino-L-aspartate(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:58006 +name: Cypridina luciferin(1+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58007 +name: streptomycin(3+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58008 +name: 2-carboxylato-D-arabinitol(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58009 +name: L-gamma-glutamyl-L-cysteinyl-beta-alaninate(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:58010 +name: (S)-3'-hydroxy-N-methylcoclaurinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58011 +name: (1R,2R,3R)-prephytoene diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58012 +name: strictosidine aglycone(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58013 +name: aspulvinone H(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58014 +name: 1-alkyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:77576 ! monoalkyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:78168 ! 1-alkylglycerol 3-phosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58015 +name: 7,8-dihydro-7,8-dihydroxykynurenate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:38773 ! quinolinemonocarboxylate + +[Term] +id: CHEBI:58016 +name: 1-guanidiniumyl-1-deoxy-scyllo-inositol(1+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58017 +name: 5-O-phosphonato-alpha-D-ribofuranosyl diphosphate(5-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58018 +name: N(5)-formyl-5,6,7,8-tetrahydromethanopterin(3-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58020 +name: 2-aminoacrylate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58021 +name: glucotropeolin(1-) +is_a: CHEBI:36452 ! aralkylglucosinolate + +[Term] +id: CHEBI:58022 +name: 10-oxocaprate +is_a: CHEBI:71944 ! aldehydic acid anion +is_a: CHEBI:76309 ! omega-oxo fatty acid anion + +[Term] +id: CHEBI:58023 +name: (3,5-diiodo-4-oxidophenyl)pyruvate(2-) +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58024 +name: deoxylimonoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58025 +name: octopaminium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58026 +name: 8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58027 +name: glyceraldehyde 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58028 +name: 6-O-sulfonato-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->3)-1-O-alkyl-2-O-acylglycerol +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:58029 +name: cysteaminium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58030 +name: 5-formyl-2-hydroxyhepta-2,4-dienedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58031 +name: 2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58032 +name: anhydrotetracycline zwitterion +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58033 +name: 2-phosphonatoglycolate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58034 +name: flavonol 3-O-(6-O-malonyl-beta-D-glucoside)(1-) +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58035 +name: 1D-3-ammmonio-1-guanidiniumyl-1,3-dideoxy-scyllo-inositol(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58037 +name: O-demethylpuromycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58038 +name: Photinus luciferin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58039 +name: N-methylputrescinium(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58040 +name: dimethylaminium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:58855 ! secondary aliphatic ammonium ion + +[Term] +id: CHEBI:58041 +name: heparosan N-sulfate L-iduronate polyanion +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:61660 ! organic sulfamate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58042 +name: guanidinoethyl methyl phosphate zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58043 +name: nucleoside 5'-monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58044 +name: 2,5-dihydroxybenzoate +is_a: CHEBI:36084 ! dihydroxybenzoate +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58045 +name: L-isoleucine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:58046 +name: 3,5-dibromo-4-oxidobenzonitrile(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:58047 +name: thiomorpholine-3-carboxylic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58048 +name: L-asparagine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58050 +name: dolichyl N-acetyl-alpha-D-glucosaminyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58051 +name: 4,5-dihydroxyphthalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58052 +name: UDP-alpha-D-glucuronate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58053 +name: IMP(2-) +is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58055 +name: 4,5-dioxopentanoate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion + +[Term] +id: CHEBI:58056 +name: 2-methylideneglutarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58057 +name: geranyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58058 +name: D-lysopine dizwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion + +[Term] +id: CHEBI:58059 +name: oxidized Cypridina luciferin(1+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58061 +name: salutaridinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58062 +name: rosmarinate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58064 +name: taurocyamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58065 +name: homocysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58066 +name: L-glutamic 5-semialdehyde zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58067 +name: (3Z,5S)-3-(1-oxidoethylidene)-5-\{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58068 +name: 2-hydroxy-6-oxohexa-2,4-dienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58069 +name: CDP(3-) +is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58070 +name: dehydroascorbide(1-) +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58071 +name: mono(2-ethylhexyl) phthalate(1-) +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:58072 +name: carbon monoxide(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:58074 +name: D-nopalinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58075 +name: 2-hydroxy-4-oxobutane-1,2,4-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58077 +name: bis-gamma-glutamylcystinate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58078 +name: CDP-3,6-dideoxy-D-mannose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58079 +name: butanoyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58080 +name: N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58081 +name: dTDP-D-galacturonate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58082 +name: O-(1->4)-alpha-L-dihydrostreptosylstreptidine 6-phosphate zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58083 +name: glycerol 2-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58085 +name: 2-isopropylmaleate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58086 +name: UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:58087 +name: N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate(2-) +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:58088 +name: 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83189 ! phosphatidylinositol monophosphate(3-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58089 +name: 5-phosphonato-D-ribosylaminium(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58090 +name: L-cysteate(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58091 +name: deacetylisoipecoside(1+) +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58092 +name: N-phosphocreatinate(2-) +is_a: CHEBI:60345 ! organic phosphoramidate anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58093 +name: homoserinium lactone +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58095 +name: L-phenylalanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58096 +name: dolichyl D-xylosyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58097 +name: morphine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58098 +name: 2-dehydro-3-deoxy-D-glucarate(2-) +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:58099 +name: dTDP-6-deoxy-L-talose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:5810 +name: hydroxymethylphosphonic acid +is_a: CHEBI:26069 ! phosphonic acids +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:62609 ! EC 3.11.1.3 (phosphonopyruvate hydrolase) inhibitor + +[Term] +id: CHEBI:58100 +name: N(6),N(6),N(6)-trimethyl-L-lysine zwitterion +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:58101 +name: N(1)-acetylsperminium(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58102 +name: 2-N,6-O-disulfonato-D-glucosamine(2-) +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:58103 +name: 5,6,7,8-tetrahydromethanopterin(3-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58104 +name: nucleoside triphosphate(3-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:58105 +name: N(6)-[(indol-3-yl)acetyl]-L-lysine zwitterion +is_a: CHEBI:17328 ! N(6)-[(indol-3-yl)acetyl]-L-lysine +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58109 +name: (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58110 +name: CDP-3,6-dideoxy-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58111 +name: N(5)-acyl-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58112 +name: cetraxate zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58113 +name: L-2-ammoniohexano-6-lactam +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58114 +name: 2-carboxylato-cis,cis-muconate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58115 +name: guanosine 5'-monophosphate(2-) +is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58116 +name: 5-methyl-5,6,7,8-tetrahydromethanopterin(3-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58117 +name: (S)-2-acetamido-6-oxopimelate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58118 +name: L-rhamnonate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58119 +name: N(4)-phosphonatoagmatine(1-) +is_a: CHEBI:60345 ! organic phosphoramidate anion + +[Term] +id: CHEBI:58121 +name: D-ribulose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58122 +name: N(6)-acetyl-N(6)-hydroxy-L-lysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58123 +name: (2S)-2-hydroxy monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58124 +name: isovitexin 2''-O-beta-D-glucoside(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58125 +name: 3-hydroxy-L-kynurenine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58126 +name: porphobilinogen(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58127 +name: GDP-D-glucose(2-) +is_a: CHEBI:76533 ! NDP-alpha-D-glucose(2-) + +[Term] +id: CHEBI:58128 +name: N(5)-ethyl-L-glutamine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58129 +name: cis-caffeate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58130 +name: myo-inositol hexakisphosphate(12-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58131 +name: 2-methylpropanoyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58132 +name: 3-chloro-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58133 +name: 3-(imidazol-5-yl)pyruvate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58135 +name: 2-(hydroxymethyl)-4-oxobutanoate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58136 +name: 2,5-dioxopentanoate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion + +[Term] +id: CHEBI:58137 +name: 3,4-dihydroxyphthalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58138 +name: N-caffeoylputrescinium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58139 +name: 3-hydroxy-cis,cis-muconate(2-) +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion + +[Term] +id: CHEBI:58140 +name: tetrahydropteroyltri-L-glutamate(4-) +is_a: CHEBI:60334 ! peptide anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58141 +name: P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58142 +name: 4-carboxy-2-hydroxy-cis,cis-muconate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58143 +name: 5-dehydro-D-gluconate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58144 +name: (R)-reticulinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58145 +name: agmatinium(2+) +is_a: CHEBI:60251 ! guanidinium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58146 +name: (R)-5-phosphonatomevalonate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58147 +name: 4-(2-aminophenyl)-2,4-dioxobutanoate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58148 +name: L-homocitrulline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58149 +name: 3-hydroxyphenylacetate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:58150 +name: 3-D-glucuronosyl-N(2),6-disulfonato-beta-D-glucosamine(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:61660 ! organic sulfamate oxoanion + +[Term] +id: CHEBI:58151 +name: methanofuranate(4-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:58152 +name: cis-4-coumarate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58153 +name: UDP-L-rhamnose(2-) +is_a: CHEBI:60981 ! UDP-rhamnose(2-) + +[Term] +id: CHEBI:58154 +name: N-(2,3-dihydroxybenzoyl)-L-serinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:58155 +name: N-methyltyraminium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58156 +name: N-adenylylanthranilate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:60345 ! organic phosphoramidate anion + +[Term] +id: CHEBI:58157 +name: 2-O-caffeoylglucarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58158 +name: aminomalonate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:58159 +name: uracil-5-carboxylate +is_a: CHEBI:38316 ! pyrimidinecarboxylate anion + +[Term] +id: CHEBI:58161 +name: L-cystathionine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58163 +name: homocystine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58164 +name: (S)-atropinium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58165 +name: 3',5'-cyclic AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58166 +name: CDP-4-dehydro-6-deoxy-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58168 +name: 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:78191 ! 2-lysophosphatidylcholine +is_a: CHEBI:84465 ! acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:58169 +name: 2-(alpha-D-galactosyl)-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58170 +name: psychosine sulfate zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58171 +name: 7,8-dihydroxykynurenate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58172 +name: dTDP-D-fucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58173 +name: L-gamma-glutamyl-L-cysteinate(1-) +is_a: CHEBI:60334 ! peptide anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58174 +name: but-1-ene-1,2,4-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58175 +name: N-methyl-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58176 +name: phenylthioacetohydroximate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58177 +name: testolate +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:58178 +name: 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83189 ! phosphatidylinositol monophosphate(3-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58179 +name: all-trans-hexaprenyl diphosphate(3-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) + +[Term] +id: CHEBI:58180 +name: L-arogenate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:58181 +name: trans-beta-D-glucosyl-2-hydroxycinnamate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58182 +name: (S)-6-hydroxynicotinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58183 +name: 6-amino-2-oxohexanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58184 +name: L-tyrosiniumyl-L-arginine(1+) +is_a: CHEBI:60194 ! peptide cation + +[Term] +id: CHEBI:58185 +name: 2-carboxylato-D-arabinitol 1-phosphate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58186 +name: 1-phosphonato-alpha-D-galacturonate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58187 +name: alginate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:60164 ! ionic polymer + +[Term] +id: CHEBI:58188 +name: UDP-N-acetyl-D-galactosamine 4-sulfate(3-) +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58189 +name: GDP(3-) +is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58190 +name: O-phosphonatoethanaminium(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58191 +name: 1-alkyl-2-acetyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:78184 ! monoalkylmonoacylglycerolphosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58192 +name: quercitrin-7-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58193 +name: 3alpha(S)-strictosidinium(1+) +is_a: CHEBI:60521 ! indole alkaloid cation + +[Term] +id: CHEBI:58194 +name: biochanin A(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58195 +name: S-(5-deoxy-D-ribos-5-yl)-L-homocysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58196 +name: (3R)-3-hydroxy-L-aspartate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:58199 +name: L-homocysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58200 +name: N(5)-methyl-L-glutamine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58201 +name: 6,7-dimethyl-8-(1-D-ribityl)lumazine(1-) +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58202 +name: N(6)-methyl-L-lysinium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:58203 +name: 2-formylbenzoate +is_a: CHEBI:22718 ! benzoates +is_a: CHEBI:71944 ! aldehydic acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite + +[Term] +id: CHEBI:58205 +name: 3-nitroacrylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58206 +name: all-trans-heptaprenyl diphosphate(3-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) + +[Term] +id: CHEBI:58207 +name: 5-methyltetrahydropteroyltri-L-glutamate(4-) +is_a: CHEBI:60334 ! peptide anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58209 +name: 4-(3-methylbut-2-enyl)-L-tryptophan zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58210 +name: FMN(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58211 +name: dolichyl beta-D-mannosyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58212 +name: dUTP(3-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58213 +name: ammonioacetaldehyde +is_a: CHEBI:133427 ! omega-ammonioaldehyde +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58214 +name: kanamycin A(4+) +is_a: CHEBI:25697 ! organic cation +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:58215 +name: guanosine 3',5'-bis(diphosphate)(6-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58217 +name: pentachlorophenolate +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:58218 +name: 9-riburonosylhypoxanthine(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58219 +name: mevaldate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58220 +name: N-adenylyl-L-phenylalanate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58222 +name: 4-hydroxy-2-oxopentanoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58223 +name: UDP(3-) +is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58224 +name: GDP-6-deoxy-alpha-D-mannose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58225 +name: alpha-D-glucose 6-phosphate(2-) +is_a: CHEBI:61548 ! D-glucopyranose 6-phosphate(2-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58226 +name: L-ribulose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58227 +name: 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58228 +name: carbamoyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58229 +name: Watasenia luciferin(2-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion + +[Term] +id: CHEBI:58230 +name: 2-(beta-D-glucopyranosyluronate)-D-glucuronate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:58231 +name: CTP(3-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:58232 +name: D-glucose 1,6-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58233 +name: UDP-L-iduronate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58234 +name: 3-hydroxyquininium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58236 +name: N-feruloylglycinate +is_a: CHEBI:57670 ! N-acylglycinate + +[Term] +id: CHEBI:58237 +name: cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58238 +name: 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58239 +name: 16-hydroxytabersoninium +is_a: CHEBI:60521 ! indole alkaloid cation + +[Term] +id: CHEBI:58240 +name: aspulvinone E(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58241 +name: N(2)-(3-carboxylatopropionyl)-L-arginine(1-) +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:58242 +name: Renilla luciferyl sulfate(1-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion + +[Term] +id: CHEBI:58243 +name: 5'-adenylyl sulfate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:58958 ! organosulfate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58244 +name: nocardicin A(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58245 +name: 2'-deoxyadenosine 5'-monophosphate(2-) +is_a: CHEBI:142198 ! purine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58246 +name: sulfonatoacetaldehyde +is_a: CHEBI:134249 ! alkanesulfonate oxoanion + +[Term] +id: CHEBI:58247 +name: beta-D-glucose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58248 +name: 2,3-bisphosphonato-D-glycerate(5-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58249 +name: (S,S,S)-nicotianamine trizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58251 +name: N,N-dimethylglycine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58252 +name: S-methyl-L-methionine zwitterion +is_a: CHEBI:26830 ! sulfonium compound + +[Term] +id: CHEBI:58253 +name: (S)-norcoclaurinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58254 +name: quercetin 3-sulfate(2-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58255 +name: aldehydo-D-galactose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58256 +name: alpha-cyclopiazonate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58257 +name: S-(4-bromophenyl)-L-cysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58259 +name: dihydrostreptomycin 3'alpha,6-bisphosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58260 +name: N(6)-acetyl-L-lysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58261 +name: methyl sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:58262 +name: 2-C-methyl-D-erythritol 4-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58263 +name: N-acetylputrescinium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58264 +name: 4-ammoniobutanal +is_a: CHEBI:133427 ! omega-ammonioaldehyde +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58265 +name: 2-hydroxy-3-oxosuccinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:35903 ! oxo carboxylic acid anion +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:58266 +name: 5-hydroxy-L-tryptophan zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58269 +name: 2-amino-2-deoxy-D-gluconic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58270 +name: N-acetyl-L-leucinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:58272 +name: 3-phosphonato-D-glycerate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58273 +name: aldehydo-D-ribose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58274 +name: L-gamma-glutamyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58275 +name: 2-methylserine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58276 +name: 4-hydroxy-4-methyl-2-oxoglutarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:35903 ! oxo carboxylic acid anion + +[Term] +id: CHEBI:58277 +name: dehydro-D-arabinono-1,4-lactone(1-) +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58278 +name: D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58279 +name: 3-(3,4-dihydroxyphenyl)lactate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58280 +name: IDP(3-) +is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58282 +name: 1D-myo-inositol 1,4-bisphosphate(4-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58283 +name: CDP-4-dehydro-3,6-dideoxy-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58284 +name: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58285 +name: 7-methylguanosine 5'-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58286 +name: methyl-CoM(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:58287 +name: heparosan-N-sulfate D-glucuronate +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:61660 ! organic sulfamate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +is_a: CHEBI:85307 ! heparosan D-glucuronic acid zwitterion + +[Term] +id: CHEBI:58289 +name: 2-phosphonato-D-glycerate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58290 +name: trypanothione(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:58291 +name: 1D-1-guanidiniumyl-1-deoxy-3-dehydro-scyllo-inositol(1+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58292 +name: (S)-naringenin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58293 +name: 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:58294 +name: beta-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-(beta-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl(2-) +is_a: CHEBI:21507 ! N-acetyl-D-galactosaminyl group + +[Term] +id: CHEBI:58295 +name: S-acetylcysteaminium +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58296 +name: 4-methyl-5-(2-phosphonatooxyethyl)thiazole(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58297 +name: glutathione disulfide(2-) +is_a: CHEBI:60334 ! peptide anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58298 +name: 6-phosphonato-2-dehydro-3-deoxy-D-galactate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58299 +name: 3-dehydrosphinganinium(1+) +is_a: CHEBI:84411 ! 3-dehydrosphingoid base(1+) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58301 +name: taurolithocholic acid sulfate(2-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58302 +name: UDP-2-acetamido-4-dehydro-2,6-dideoxy-beta-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58303 +name: 1-palmitoylglycerone 3-phosphate(2-) +is_a: CHEBI:57534 ! 1-acylglycerone 3-phosphate(2-) + +[Term] +id: CHEBI:58304 +name: 2-oxo-2H-pyran-4,6-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58305 +name: quercetin 3,3'-bissulfate(3-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58306 +name: rifamycin B(2-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58307 +name: FADH2(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58308 +name: 5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58309 +name: UDP-N-acetylmuramate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:583099 +name: ent-zingiberene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:58310 +name: N(2)-phenylacetyl-L-glutaminate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58311 +name: (2R)-CDP-glycerol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58312 +name: 6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58313 +name: L-rhamnulose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58314 +name: (2R)-2-hydroxy monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58315 +name: L-tyrosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58318 +name: N-carbamoylputrescinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58319 +name: coenzyme M(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:58320 +name: ammonioacetone +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58321 +name: L-allysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58322 +name: 3-mercapto-2-mercaptomethylpropanoate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58323 +name: hydrogenobyrinate(6-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58324 +name: N(1)-acetylspermidinium(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58325 +name: 1-ammonio-1-deoxy-scyllo-inositol 4-phosphate(1-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:58326 +name: N(omega),N(omega)-dimethyl-L-argininium(1+) +is_a: CHEBI:133775 ! dimethylargininium(1+) + +[Term] +id: CHEBI:58328 +name: D-allose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58329 +name: (+)-taxifolin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58330 +name: 1-alpha-D-galactosyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58331 +name: farnesyl triphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58332 +name: CDP-diacylglycerol(2-) +is_a: CHEBI:62643 ! anionic phospholipid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58333 +name: isoorientin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58334 +name: cyclohexyl isocyanide(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:58335 +name: sedoheptulose 1,7-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58336 +name: alpha-D-galactose 1-phosphate(2-) +is_a: CHEBI:140358 ! monosaccharide 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58337 +name: 5,10-(methanylylidene)tetrahydromethanopterin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58339 +name: 3'-phosphonato-5'-adenylyl sulfate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:58958 ! organosulfate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58340 +name: O-acetyl-L-serine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58341 +name: UDP-L-arabinose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58342 +name: acyl-CoA(4-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:58343 +name: adenosine 3',5'-bismonophosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58344 +name: 3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1-) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:58345 +name: D-ribose 1,5-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58346 +name: 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58348 +name: 3-[hydroxy(oxido)phosphoranyl]pyruvate(2-) +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58349 +name: NADP(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:13193 ! hydrogen acceptor +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58351 +name: sirohydrochlorin(8-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58352 +name: 2-hydroxypropyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58353 +name: quercetin-7-olate 3,4'-bissulfate(3-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58354 +name: 4-amino-2-methyl-5-phosphonatooxymethylpyrimidine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58355 +name: GDP-L-galactose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58356 +name: N-phosphonato-L-lombricine(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58357 +name: erythro-5-hydroxy-L-lysinium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58358 +name: 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58359 +name: L-glutamine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +is_a: CHEBI:62031 ! polar amino acid zwitterion +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:58360 +name: 1-aminocyclopropanecarboxylic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58361 +name: diphthinate +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58363 +name: oxamate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58365 +name: 4-guanidiniumylbutanamide(1+) +is_a: CHEBI:60251 ! guanidinium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58366 +name: deacetylcephalosporin C(1-) +is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion + +[Term] +id: CHEBI:58367 +name: UDP-D-glucose(2-) +is_a: CHEBI:76533 ! NDP-alpha-D-glucose(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58369 +name: dTDP(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58370 +name: dTTP(3-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58371 +name: 2-dehydro-3-deoxy-L-rhamnonate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:58372 +name: 5-oxo-2,5-dihydro-2-furylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58373 +name: 3-hexaprenyl-4,5-dihydroxybenzoate +is_a: CHEBI:64694 ! 3,4-dihydroxy-5-polyprenylbenzoate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58374 +name: 3-ammoniopropanal +is_a: CHEBI:133427 ! omega-ammonioaldehyde +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58375 +name: trans-4-hydroxy-L-proline zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:58376 +name: CMP-N-glycoloyl-beta-neuraminate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58377 +name: L-tyrosine methyl ester 4-sulfate(1-) +is_a: CHEBI:140317 ! phenyl sulfate oxoanion + +[Term] +id: CHEBI:58378 +name: 2-dehydro-3-deoxy-D-fuconate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:58379 +name: deacetylipecoside(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:58380 +name: pseudouridine 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58381 +name: 3-ADP-2-phosphoglycerate(5-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58382 +name: 5-ammoniopentanamide +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58383 +name: phosphonoacetaldehyde(1-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:58384 +name: cadaverine(2+) +is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58385 +name: luteolin 7-O-beta-D-glucosiduronate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58386 +name: (S)-2-hydroxyoctadecanoate +is_a: CHEBI:76724 ! 2-hydroxyoctadecanoate + +[Term] +id: CHEBI:58387 +name: 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:58388 +name: heparan sulfate alpha-D-glucosaminide polyanion +is_a: CHEBI:60164 ! ionic polymer +is_a: CHEBI:61660 ! organic sulfamate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58389 +name: trimethylammonium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:58390 +name: N(6')-acetylkanamycin B(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58391 +name: all-trans-nonaprenyl diphosphate(3-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) + +[Term] +id: CHEBI:58392 +name: alpha-D-glucose 1,6-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58393 +name: aureusidin-6-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58394 +name: 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58395 +name: myricetin(1-) +is_a: CHEBI:58588 ! flavonol oxoanion + +[Term] +id: CHEBI:58396 +name: aerobactinate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58398 +name: (2S)-2-hydroxyphytanate +is_a: CHEBI:24913 ! isoprenoid +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58123 ! (2S)-2-hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58399 +name: isopenicillin N(1-) +is_a: CHEBI:51356 ! penicillinate anion + +[Term] +id: CHEBI:58400 +name: 2-oxophytanate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:58401 +name: 1D-myo-inositol 3-phosphate(2-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +is_a: CHEBI:84139 ! myo-inositol phosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58402 +name: 5-oxo-L-prolinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:58403 +name: 3,5,3'-triiodothyropyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:37142 ! organoiodine compound + +[Term] +id: CHEBI:58404 +name: (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58405 +name: ditrans,polycis-undecaprenyl diphosphate(3-) +is_a: CHEBI:136960 ! ditrans,polycis-polyprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58406 +name: 4-amino-4-deoxychorismate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:58407 +name: isoscoparin-7-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58408 +name: penicillin N(1-) +is_a: CHEBI:51356 ! penicillinate anion + +[Term] +id: CHEBI:58409 +name: alpha-D-mannose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58410 +name: 2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58411 +name: CoM-S-S-CoB(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58412 +name: syringetin(1-) +is_a: CHEBI:58588 ! flavonol oxoanion + +[Term] +id: CHEBI:58413 +name: (R)-6-hydroxynicotinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58414 +name: 1D-myo-inositol 1,3,4-trisphosphate(6-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58415 +name: deacetoxycephalosporin C(1-) +is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion + +[Term] +id: CHEBI:58416 +name: chlorophyll a(1-) +is_a: CHEBI:139291 ! chlorophyll(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58418 +name: ditrans,polycis-decaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58419 +name: 4-hydroxy-L-proline zwitterion +is_a: CHEBI:63137 ! 4-hydroxyproline zwitterion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58420 +name: cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58421 +name: 5-amino-6-(5-phosphoribitylamino)uracil(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58422 +name: chondroitin 4'-sulfate anion +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:58423 +name: UDP-D-galactofuranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58424 +name: 1-(5-phospho-D-ribosyl)-ATP(6-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58425 +name: 5-oxo-4,5-dihydro-2-furylacetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:58426 +name: N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58427 +name: N-acetyl-D-glucosaminyldiphosphodolichol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58429 +name: alpha,alpha-trehalose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58430 +name: (S)-2-hydroxypropyl-CoM(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:58431 +name: jasmonate(1-) +is_a: CHEBI:136184 ! jasmonic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58432 +name: histaminium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58433 +name: 1D-myo-inositol 1-phosphate(2-) +is_a: CHEBI:140358 ! monosaccharide 1-phosphate(2-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +is_a: CHEBI:84139 ! myo-inositol phosphate(2-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58434 +name: cis,trans-4-hydroxymuconic semialdehyde(1-) +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:71944 ! aldehydic acid anion + +[Term] +id: CHEBI:58435 +name: 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58436 +name: phosphatidyl-L-serine(1-) +is_a: CHEBI:58944 ! dialkyl phosphate anion + +[Term] +id: CHEBI:58437 +name: deamido-NAD(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58438 +name: thiaminium carboxylate betaine +is_a: CHEBI:35284 ! ammonium betaine + +[Term] +id: CHEBI:58439 +name: UDP-D-galactose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58440 +name: quinoline-4-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58441 +name: L-2-aminopentanoic acid zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:58442 +name: pyrroloquinoline quinone(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58443 +name: SAICAR(4-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58444 +name: 1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58445 +name: anserine zwitterion +is_a: CHEBI:27369 ! zwitterion +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:58446 +name: 13-hydroxylupaninium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58447 +name: isovitexin-7-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58448 +name: L-thyroxine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58450 +name: adenosine 5'-tetraphosphate(5-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58451 +name: pyridoxamine 5'-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58452 +name: 4-(phosphonatooxy)-L-threonine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58453 +name: 5-amino-6-(5-phospho-D-ribosylamino)uracil(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58454 +name: kynurenate +is_a: CHEBI:38773 ! quinolinemonocarboxylate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58455 +name: L-2-aminohexanoic acid zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:58456 +name: 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83191 ! phosphatidylinositol bisphosphate(5-) + +[Term] +id: CHEBI:58457 +name: N(1)-(5-phospho-D-ribosyl)glycinamide(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58458 +name: (R)-2-hydroxypropyl-CoM(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:58459 +name: pyrroloquinoline quinol(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +is_a: CHEBI:50918 ! pyrroloquinoline + +[Term] +id: CHEBI:58460 +name: 13-(2-methylcrotonoyloxy)lupaninium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58461 +name: 17-O-deacetylvindolinium +is_a: CHEBI:60082 ! vinca alkaloid cation + +[Term] +id: CHEBI:58462 +name: 7,8-dihydroneopterin 3'-triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58463 +name: (7S)-salutaridinol(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58464 +name: nucleoside 3',5'-cyclic phosphate anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58465 +name: dermatan sulfate polyanion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer + +[Term] +id: CHEBI:58466 +name: 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58467 +name: 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58468 +name: 3-aminoalanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58469 +name: 1D-myo-inositol 4-phosphate(2-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +is_a: CHEBI:84139 ! myo-inositol phosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58470 +name: apigenin-7-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58471 +name: bis(beta-glucosyluronate)bilirubin +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58472 +name: beta-D-mannosyldiacetylchitobiosyldiphosphodolichol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58473 +name: codeinone(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58474 +name: 3,6-dioxocyclohexa-1,4-dien-1-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58475 +name: 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58476 +name: (2S)-2-hydroxy-2-methyl-3-oxobutanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58477 +name: N(omega)-phosphonato-L-arginine +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58478 +name: 2-formamido-N(1)-(5-O-phosphonato-D-ribosyl)acetamidine +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58479 +name: N-formimidoylglycine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58480 +name: N-[(R)-pantothenoyl]-L-cysteinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58481 +name: (RS)-coclaurinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58482 +name: (RS)-norcoclaurinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58483 +name: 2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58484 +name: 1D-myo-inositol 1,2-cyclic phosphate(1-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:58485 +name: 3-hydroxy-16-methoxy-2,3-dihydrotabersoninium +is_a: CHEBI:60521 ! indole alkaloid cation + +[Term] +id: CHEBI:58487 +name: 2'-deoxymugineate +is_a: CHEBI:27092 ! tricarboxylic acid trianion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58488 +name: 3-epi-3-hydroxymugineate(2-) +is_a: CHEBI:35753 ! tricarboxylic acid anion + +[Term] +id: CHEBI:58489 +name: 5-guanidino-2-oxopentanoic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58490 +name: (+)-8'-hydroxyabscisate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58495 +name: (2S)-2-carbamoylpyrrolidin-1-ium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58496 +name: N-acetyl-D-amino acid anion +is_a: CHEBI:59876 ! N-acyl-D-alpha-amino acid anion + +[Term] +id: CHEBI:58497 +name: N-acyl-L-aspartate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58498 +name: 6-acetamido-3-aminohexanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58499 +name: L-pyrrolysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58500 +name: 7,8-diaminononanoate cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58501 +name: 7beta-aminocephalosporanic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58502 +name: adenosylcobinamide phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58503 +name: adenosylcob(III)yrinate a,c-diamide(4-) +is_a: CHEBI:35755 ! pentacarboxylic acid anion + +[Term] +id: CHEBI:58504 +name: adenosylcobyrate +is_a: CHEBI:33906 ! cobalt corrinoid + +[Term] +id: CHEBI:58505 +name: mugineate(2-) +is_a: CHEBI:35753 ! tricarboxylic acid anion + +[Term] +id: CHEBI:58506 +name: Ile(5)-angiotensin II dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58507 +name: 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58509 +name: 1-pyrroline-3-hydroxy-5-carboxylate +is_a: CHEBI:26457 ! 1-pyrrolinecarboxylate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58510 +name: UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58511 +name: D-erythro-3-methylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58513 +name: precorrin-6X(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58514 +name: N(2)-succinyl-L-ornithinate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:58515 +name: ectoine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58516 +name: alpha-D-glucosamine 1-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58517 +name: 3,4-dehydrothiomorpholine-3-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58518 +name: precorrin-5(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58519 +name: (E)-2-benzylidenesuccinyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:58520 +name: N-succinyl-L-glutamic 5-semialdehyde(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58521 +name: trans-3-enoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58522 +name: precorrin-3B(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58523 +name: (5S)-5-amino-3-oxohexanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58524 +name: gibberellin A1(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58525 +name: 5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58526 +name: gibberellin A20(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion + +[Term] +id: CHEBI:58527 +name: D-ribosylnicotinate +is_a: CHEBI:35284 ! ammonium betaine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58528 +name: 3-hydroxypropanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58529 +name: P(1),P(3)-bis(5'-adenosyl) triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58530 +name: gentamycin C1a(5+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58531 +name: Se-methyl-L-selenocysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58532 +name: precorrin-6Y(6-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58533 +name: S-methyl-5-thio-alpha-D-ribose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58534 +name: 6-phospho-beta-D-galactoside(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58535 +name: N(8)-acetylspermidinium(2+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58536 +name: hydrogenobyrinic acid a,c-diamide(4-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58537 +name: cob(II)yrinic acid a,c diamide(4-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58538 +name: (R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58539 +name: L-dehydroascorbate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58540 +name: (Kdo)2-lipid A(6-) (E. coli) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58541 +name: 5-methyldeoxycytidine 5'-diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58542 +name: D-arabino-hex-3-ulose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58543 +name: cis-dodec-3-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58544 +name: 3',4',5,7-pentahydroxy-8-methoxyflavon-3-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58546 +name: cyanidin 3-O-rutinoside betaine +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:58547 +name: N-hydroxy-L-tyrosinate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58548 +name: S-methyl-5-thio-D-ribulose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58549 +name: kanamycin B(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58550 +name: N(1),N(12)-diacetylsperminium(2+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58552 +name: N(2')-acetylgentamycin C1a(4+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58553 +name: 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58554 +name: gibberellin A44(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion + +[Term] +id: CHEBI:58555 +name: S-acetylphosphopantotheine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58556 +name: (S)-2-amino-6-oxopimelate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58557 +name: N-acetyl-D-mannosamine 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58558 +name: N-benzyloxycarbonyl-L-leucinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:58560 +name: L-alpha-glutamyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58561 +name: precorrin-3A(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58562 +name: all-cis-5,8,11,14,17-icosapentaenoate +is_a: CHEBI:61330 ! icosapentaenoate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58563 +name: (R)-1-ammoniopropan-2-yl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58564 +name: 5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate +is_a: CHEBI:38466 ! imidazolyl carboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58565 +name: 5-hydroxyimidazole-4-acetate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58566 +name: D-arabinitol 1-phosphate(2-) +is_a: CHEBI:140358 ! monosaccharide 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58567 +name: ajmalinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58570 +name: D-tyrosine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion + +[Term] +id: CHEBI:58571 +name: 5-methylbarbituride +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58572 +name: N-[(5S)-5-ammonio-5-carboxylatopentanoyl]-L-cysteinyl-D-valinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58573 +name: kaempferol oxoanion +is_a: CHEBI:58588 ! flavonol oxoanion + +[Term] +id: CHEBI:58574 +name: 4-hydroxybutyryl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58575 +name: cob(I)yrinate a,c diamide(5-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58576 +name: 2-deoxy-D-ribofuranose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58577 +name: biochanin A 7-O-beta-D-glucoside 6''-O-malonate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58578 +name: UDP-N-acetyl-D-mannosaminouronate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58579 +name: beta-D-fructofuranose 2,6-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58580 +name: tetrahydrofolyl-poly(glutamate) macromolecule +is_a: CHEBI:53309 ! polyanionic macromolecule + +[Term] +id: CHEBI:58581 +name: precorrin-8X(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58582 +name: UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58583 +name: 4-acetamidobutanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58584 +name: 20-hydroxy-leukotriene E4(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58585 +name: L-allothreonine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58586 +name: 4-hydroxyphenylglyoxylate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58587 +name: gibberellin A19(2-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion + +[Term] +id: CHEBI:58588 +name: flavonol oxoanion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58589 +name: pyridoxine 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58590 +name: gibberellin A3(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58591 +name: 3-disulfanyl-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58592 +name: 5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58593 +name: dCDP(3-) +is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58594 +name: gibberellin A8(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion + +[Term] +id: CHEBI:58595 +name: dGDP(3-) +is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58596 +name: coenzyme B(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58599 +name: N'-phosphonatoguanidinoethyl methyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58600 +name: N(tele)-methylhistaminium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58601 +name: alpha-D-glucose 1-phosphate(2-) +is_a: CHEBI:140358 ! monosaccharide 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58602 +name: D-mannosyl undecaprenyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58603 +name: lipid IVA(4-) +is_a: CHEBI:60373 ! lipid IVA oxoanion + +[Term] +id: CHEBI:58604 +name: L-mimosine(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58605 +name: 3''-adenylylstreptomycin(2+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58606 +name: synephrinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58607 +name: 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58608 +name: 1,2-diacyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:57739 ! phosphatidate(2-) +is_a: CHEBI:76530 ! sn-glycero-3-monophosphate(2-) + +[Term] +id: CHEBI:58609 +name: D-2-ammoniohexano-6-lactam +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58610 +name: nocardicin E(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58611 +name: (+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58612 +name: (+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58613 +name: 1-(2-carboxylatophenylamino)-1-deoxy-D-ribulose 5-phosphate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58614 +name: 2,5-diamino-4-hydroxy-6-(5-phosphonatoribosylamino)pyrimidine(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58616 +name: 2-methyl-4-oxo-1,4-dihydroquinolin-3-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58619 +name: S-alkyl thiosulfate anion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:58621 +name: dehydroabietate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58622 +name: 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58627 +name: gibberellin A12(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion + +[Term] +id: CHEBI:58628 +name: 5-diphospho-1D-myo-inositol pentakisphosphate(13-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58629 +name: N-formyl-L-kynurenine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58630 +name: N-methylanthraniloyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58632 +name: 2,4-divinyl protochlorophyllide a(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58633 +name: L-homoserine lactone(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58635 +name: 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58636 +name: 2-hydroxy-2,3-dihydrogenistein-7-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58637 +name: 2-hydroxy-6-oxonona-2,4,7-trienedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58638 +name: 4'''-demalonylsalvianin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58639 +name: 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58640 +name: pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:58641 +name: N,N-dimethylethanolamine phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58642 +name: 2,3-dihydroxy-trans-cinnamate +is_a: CHEBI:36091 ! cinnamates + +[Term] +id: CHEBI:58644 +name: p-coumaroylagmatine(1+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:58645 +name: D-allothreonine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion + +[Term] +id: CHEBI:58647 +name: amidinoproclavaminic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58652 +name: N(omega)-phosphohypotaurocyamine(2-) +is_a: CHEBI:22319 ! alkanesulfinate + +[Term] +id: CHEBI:58655 +name: (S)-3-aminoisobutyric acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58658 +name: alpha-D-galacturonate +is_a: CHEBI:33721 ! carbohydrate acid anion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:58659 +name: 8(R)-HPODE(1-) +is_a: CHEBI:131862 ! HPODE(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58660 +name: CDP-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58661 +name: trypanothione disulfide(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58665 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:90390 ! alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) + +[Term] +id: CHEBI:58667 +name: (R)-1-pyrroline-5-carboxylate +is_a: CHEBI:15893 ! 1-pyrroline-5-carboxylate + +[Term] +id: CHEBI:58668 +name: (3S)-citramalyl-CoA(5-) +is_a: CHEBI:57320 ! citramalyl-CoA(5-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58669 +name: but-2-enoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58670 +name: 4-oxoprolinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58671 +name: L-3-oxoalaninate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58672 +name: L-2-aminoadipate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58673 +name: ADP-D-ribose 2'-phosphate(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58674 +name: D-fructofuranose 1-phosphate(2-) +is_a: CHEBI:140358 ! monosaccharide 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58675 +name: O-phosphonato-L-threonine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58677 +name: (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:63001 ! 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58678 +name: luteolin 7-O-[(beta-D-glucosyluronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate +is_a: CHEBI:27092 ! tricarboxylic acid trianion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58679 +name: 17-O-acetylajmalinium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58680 +name: O-phosphonatooxy-D-serine(2-) +is_a: CHEBI:67032 ! O-phosphonatooxyserine(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58681 +name: 5-phospho-beta-D-ribosylaminium(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58682 +name: 6-hydroxypseudooxynicotinium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58683 +name: 3-sulfonatolactate(2-) +is_a: CHEBI:134249 ! alkanesulfonate oxoanion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58684 +name: 3-epi-3-hydroxy-2'-deoxymugineate +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:58685 +name: 3''-deamino-3''-oxonicotianaminium(1-) +is_a: CHEBI:35753 ! tricarboxylic acid anion + +[Term] +id: CHEBI:58686 +name: chlorophyllide b(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58687 +name: pheophorbide a(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58688 +name: divinyl chlorophyllide a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58689 +name: (1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58690 +name: 1,6-anhydro-N-acetyl-beta-muramate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58691 +name: (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58692 +name: (R)-2-benzylsuccinate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58693 +name: (7R)-7-(4-carboxylatobutanamido)cephalosporanate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion + +[Term] +id: CHEBI:58694 +name: D-tagatofuranose 1,6-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58695 +name: D-tagatofuranose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58696 +name: flaviolin-2-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58697 +name: (2R,4S)-2,4-diazaniumylpentanoate +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:58698 +name: molybdopterin(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58699 +name: L-methioninium (S)-S-oxide residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:5870 +name: imidacloprid +is_a: CHEBI:38261 ! imidazolidines +is_a: CHEBI:39172 ! monochloropyridine +relationship: has_role CHEBI:25540 ! neonicotinoid insectide +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist +relationship: has_role CHEBI:50902 ! genotoxin +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:58700 +name: 6-(alpha-D-glucosazaniumyl)-1D-myo-inositol +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58702 +name: phosphonatoenolpyruvate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58703 +name: 7-ammoniomethyl-7-deazaguanine +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58704 +name: 3,3,3-tetraminium(4+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58705 +name: N-acetyl-beta-neuraminate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58706 +name: L-methioninium (R)-S-oxide residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:58708 +name: UDP-4-amino-4-deoxy-beta-L-arabinopyranose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58709 +name: UDP-4-deoxy-4-formamido-beta-L-arabinopyranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58710 +name: UDP-beta-L-threo-pentopyranos-4-ulose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58711 +name: 4-azaniumyl-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58712 +name: lipid A(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:58713 +name: 7-chloro-L-tryptophan zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58714 +name: beta-L-Ara4N-lipid A(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:58715 +name: calcitroate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58716 +name: red chlorophyll catabolite(2-) +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:58717 +name: S-substituted L-cysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58718 +name: S-substituted N-acetyl-L-cysteinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63470 ! sulfur-containing amino-acid anion + +[Term] +id: CHEBI:58719 +name: primary fluorescent chlorophyll catabolite(2-) +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:58720 +name: D-glucopyranuronate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58721 +name: N-acetyl-beta-muramate 6-phosphate +is_a: CHEBI:58722 ! N-acetylmuramate 6-phosphate + +[Term] +id: CHEBI:58722 +name: N-acetylmuramate 6-phosphate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58723 +name: 2-ammonio-2-deoxy-D-glucopyranose +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58724 +name: threo-3-methyl-L-aspartate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58725 +name: 2-ammonio-2-deoxy-D-glucopyranose 6-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58726 +name: N-hydroxy-L-phenylalaninate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58727 +name: N,N-dihydroxy-L-phenylalaninate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58728 +name: N-hydroxy-L-tryptophanate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58729 +name: N,N-dihydroxy-L-tryptophanate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58730 +name: 5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58731 +name: gamma-L-glutamylputrescinium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58732 +name: N-[(E)-4-ammoniobutylidene]propane-1,3-diaminium +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:35286 ! iminium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58733 +name: 4-methylene-L-glutamate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58734 +name: (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate +is_a: CHEBI:36235 ! bile acid anion + +[Term] +id: CHEBI:58735 +name: D-mannopyranose 6-phosphate(2-) +is_a: CHEBI:61567 ! D-hexopyranose 6-phosphate(2-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58736 +name: (S)-5-oxo-2,5-dihydro-2-furylacetate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58737 +name: (R)-2-O-sulfonatolactate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:58738 +name: (R)-3-sulfolactate +is_a: CHEBI:33554 ! organosulfonate oxoanion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58739 +name: 2-aminobut-2-enoate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58741 +name: 7(1)-hydroxychlorophyllide a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58742 +name: pyropheophorbide a anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58743 +name: 13(2)-carboxypyropheophorbide a(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58744 +name: 3-(3,4-dihydroxyphenyl)propanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:58745 +name: UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58746 +name: UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronate +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58747 +name: 1D-myo-inositol 1,2,3,5,6-pentakisphosphate(10-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:58748 +name: N-iminiumylmethyl-L-aspartate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58749 +name: 5-deoxy-alpha-D-ribose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58750 +name: (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oate +is_a: CHEBI:36235 ! bile acid anion + +[Term] +id: CHEBI:58752 +name: (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:58753 +name: ADP-D-ribose 1''-phosphate(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58754 +name: pGpG(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58756 +name: 2-trans,6-trans,10-trans-geranylgeranyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58757 +name: (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate +is_a: CHEBI:133558 ! hydroperoxyoctadecatrienoate + +[Term] +id: CHEBI:58758 +name: S-(hydroxymethyl)glutathione(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58759 +name: 6-phosphonatooxy-D-gluconate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58760 +name: demethylsulochrin(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58761 +name: L-2,4-diazaniumylbutyrate +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:58762 +name: 7,8-dihydroneopterin 3'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58763 +name: N-(3-carboxylatopropanoyl)-L-glutamate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58764 +name: (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58765 +name: N-acetyl-L-citrullinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:58766 +name: 4-O-phosphonato-D-erythronate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58767 +name: N-acetyl-LL-2,6-diaminopimelate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:58768 +name: (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58769 +name: (S)-1-piperideine-6-carboxylate +is_a: CHEBI:16987 ! 1-piperideine-6-carboxylate + +[Term] +id: CHEBI:58770 +name: N-acetyl-alpha-neuraminate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58771 +name: (R)-2-(carboxylatomethyl)-5-oxo-2,5-dihydro-2-furoate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58772 +name: L-methionine (S)-S-oxide zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58773 +name: L-methionine (R)-S-oxide zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58774 +name: 3-dehydro-L-gulonate 6-phosphate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58775 +name: 3-oxo-3-ureidopropanoate +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58776 +name: 2-formylglutarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58777 +name: 2-hydroxymethylglutarate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58778 +name: 6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:58779 +name: CDP-choline(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58780 +name: 2,6-dihydroxynicotinate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58781 +name: (4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58782 +name: D-dopachrome(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58783 +name: 2-hydroxy-3-methylacyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58784 +name: 2-hydroxy-3-methylhexadecanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:58785 +name: 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58786 +name: cis-3,4-didehydroadipoyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:58787 +name: cis-3,4-didehydroadipoyl-CoA semialdehyde(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58790 +name: 3-(1-carboxylatovinyloxy)anthranilate +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:58792 +name: 2-azaniumyl-2-deoxyisochorismate +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:58793 +name: 2-O-sinapoyl-D-glucarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58794 +name: (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:35903 ! oxo carboxylic acid anion + +[Term] +id: CHEBI:58795 +name: 1-hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58796 +name: (9S,10S)-10-hydroxy-9-(phosphonatooxy)octadecanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58797 +name: (S,S)-9,10-dihydroxyoctadecanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion + +[Term] +id: CHEBI:58798 +name: N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58799 +name: (2S)-2-\{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58800 +name: 4-(L-gamma-glutamylamino)butanoate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58801 +name: 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58802 +name: 5-amino-2-oxopentanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58803 +name: 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:58804 +name: 12alpha-hydroxy-3-oxochola-4,6-dien-24-oate +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:58805 +name: c-di-GMP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58806 +name: ascopyrone M(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58807 +name: ascopyrone P(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58808 +name: 5beta-scymnol sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:58809 +name: 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:58810 +name: deoxycholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138842 ! 3alpha-hydroxy bile acid CoA thioester(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58811 +name: phenylglyoxylyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58812 +name: sophoraflavanone B(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58813 +name: leachianone G(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58815 +name: 5-methylthio-2-oxopentanoate +is_a: CHEBI:133493 ! omega-(methylthio)-2-oxocarboxylate + +[Term] +id: CHEBI:58816 +name: 2-(2-methylthioethyl)malate(2-) +is_a: CHEBI:133494 ! 2-(omega-methylthio)alkylmalate(2-) + +[Term] +id: CHEBI:58817 +name: 2-(3-methylthiopropyl)malate(2-) +is_a: CHEBI:133494 ! 2-(omega-methylthio)alkylmalate(2-) + +[Term] +id: CHEBI:58818 +name: (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58819 +name: (R,R)-chrysanthemyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58820 +name: lavandulyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58821 +name: terpentedienyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58822 +name: tuberculosinyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58824 +name: sulfonatoacetate +is_a: CHEBI:134249 ! alkanesulfonate oxoanion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58825 +name: (R)-beta-alanopine(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58826 +name: N-acetyl-beta-D-glucosamine 6-phosphate(2-) +is_a: CHEBI:57513 ! N-acetyl-D-glucosamine 6-phosphate(2-) + +[Term] +id: CHEBI:58827 +name: precorrin-2(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:58828 +name: 5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58830 +name: (2S)-2-hydroxy-3-oxobutyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58831 +name: iminoaspartate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:61336 ! C4-dicarboxylate + +[Term] +id: CHEBI:58832 +name: dihomomethionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58833 +name: trihomomethionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58834 +name: tetrahomomethionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58835 +name: pentahomomethionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58836 +name: hexahomomethionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58837 +name: 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phosphate(2-) +is_a: CHEBI:138140 ! 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58838 +name: CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58839 +name: N(6)-dihydrolipoyl-L-lysinium(1+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue + +[Term] +id: CHEBI:58840 +name: N-hydroxydihomomethioninate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58841 +name: N-hydroxytrihomomethioninate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58842 +name: N-hydroxytetrahomomethioninate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58843 +name: N-hydroxypentahomomethioninate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58844 +name: N-hydroxyhexahomomethioninate +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58845 +name: N,N-dihydroxyhexahomomethioninate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58846 +name: N,N-dihydroxydihomomethioninate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58847 +name: N,N-dihydroxytrihomomethioninate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58848 +name: N,N-dihydroxytetrahomomethioninate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58849 +name: N,N-dihydroxypentahomomethioninate +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:58850 +name: (3S)-3-hydroxy-L-asparagine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58851 +name: 2-methyl-3-oxosuccinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58852 +name: 5-deoxy-D-glucuronate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58853 +name: (2S,3S)-2-methylcitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58854 +name: 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58855 +name: secondary aliphatic ammonium ion +is_a: CHEBI:137419 ! secondary ammonium ion + +[Term] +id: CHEBI:58856 +name: 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58858 +name: N-(3-acetamidopropyl)-4-ammoniobutanal +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58859 +name: 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58860 +name: hydroxypyruvaldehyde phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58861 +name: 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58862 +name: N(2)-(3-carboxylatopropionyl)-L-citrullinate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58863 +name: futalosinate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58864 +name: dehypoxanthine futalosinate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:58865 +name: N-carbamoyl-L-alpha-amino acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:58866 +name: (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58868 +name: 3,7-dideoxy-D-threo-hepto-2,6-diuolosonate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion + +[Term] +id: CHEBI:58869 +name: N-(3-ammoniopropyl)-4-ammoniobutanal +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58870 +name: beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58871 +name: 3,3'-biflaviolin 2,2'-diolate +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58872 +name: 3,8'-biflaviolin 2,2'-diolate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:58874 +name: taurohyocholate +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:58875 +name: hyodeoxycholate +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58876 +name: murideoxycholate +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58877 +name: glycochenodeoxycholate 7-sulfate(2-) +is_a: CHEBI:133720 ! glycochenodeoxycholic acid sulfate anion +is_a: CHEBI:59696 ! steroid sulfate oxoanion + +[Term] +id: CHEBI:58878 +name: 2-oxo-1,2-dihydroquinoline-4-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58879 +name: N-acetylphosphinothricin(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58881 +name: N-acetyl-D-hexosamine 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58882 +name: phosphinothricin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58883 +name: flavonolate 7-O-beta-D-glucoside +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58884 +name: (2R)-homocitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58885 +name: UDP-alpha-D-glucose(2-) +is_a: CHEBI:138068 ! ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) +is_a: CHEBI:140359 ! UDP-monosaccharide(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:58886 +name: 1D-myo-inositol 2-ammonio-2-deoxy-alpha-D-glucopyranoside +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58887 +name: 1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-alpha-D-glucopyranoside +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58890 +name: 2,5-diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5'-phosphate(2-) +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:38337 ! pyrimidone +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58891 +name: 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:58892 +name: 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:58893 +name: precorrin-1(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:58894 +name: cob(II)yrinate(6-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:58895 +name: 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58896 +name: 2-hydroxy carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:58897 +name: 1,4-dihydroxy-2-naphthoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:58898 +name: 2-azaniumyl-4,5-dihydroxy-6-oxo-7-(phosphonatooxy)heptanoate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58899 +name: alpha-D-glucosiduronate +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58900 +name: UDP-2-acetamido-2-deoxy-D-glucuronate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58901 +name: 2-(E)-O-feruloyl-D-galactarate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:58902 +name: beta-L-aspartylhydroxamic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58903 +name: Delta(11)-fatty acyl-CoA(4-) +is_a: CHEBI:77632 ! unsaturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:58905 +name: S-sulfanylglutathionate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:58906 +name: sphingosine-1-phosphocholine(1+) +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:85171 ! sphingoid-1-phosphocholine(1+) + +[Term] +id: CHEBI:58907 +name: precursor Z(2-) +is_a: CHEBI:58944 ! dialkyl phosphate anion + +[Term] +id: CHEBI:58908 +name: L-galactose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58909 +name: 4-deoxy-4-formamido-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58910 +name: thyroxine sulfate(1-) +is_a: CHEBI:140317 ! phenyl sulfate oxoanion +is_a: CHEBI:60308 ! 3,3',5-triiodo-L-thyroninate + +[Term] +id: CHEBI:58911 +name: delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58912 +name: ternatin C5(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58913 +name: delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside-3'-O-beta-D-glucoside(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58914 +name: all-trans-polyprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58915 +name: (2E)-but-2-ene-1,2,3-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:58916 +name: (R)-piperazin-4-ium-2-carboxamide(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58917 +name: (R)-piperazine-2-carboxylic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58918 +name: beta-alaninium amide +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58919 +name: (S)-piperazin-4-ium-2-carboxamide(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58920 +name: (S)-piperazine-2-carboxylic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58921 +name: N-acyl-L-homoserinate +is_a: CHEBI:58947 ! N-acylhomoserinate + +[Term] +id: CHEBI:58922 +name: Ile(5)-angiotensin II (1-7) dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58923 +name: lipoyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58924 +name: isopimarate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:58925 +name: kaempferide(1-) +is_a: CHEBI:58588 ! flavonol oxoanion + +[Term] +id: CHEBI:58927 +name: L-lupinic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58928 +name: N-formimidoyl-L-glutamate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:58929 +name: N(4)-acetyl-L-2,4-diaminobutyric acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:58930 +name: 16-methoxytabersoninium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:58931 +name: oxalatosuccinate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:58933 +name: propanoyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58934 +name: 2,2'-iminodipropanoate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion + +[Term] +id: CHEBI:58935 +name: 2,4-diazaniumylpentanoate +is_a: CHEBI:33703 ! amino-acid cation + +[Term] +id: CHEBI:58936 +name: 2,4-dihydroxyhept-2-enedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:58937 +name: thiamine(1+) diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58938 +name: thiamine(1+) triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:58939 +name: 2-(1-hydroxyethyl)thiamine diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58941 +name: cyclic tetrapyrrole anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:58942 +name: amino-acid cation residue +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:58943 +name: alpha-amino-acid cation residue +is_a: CHEBI:58942 ! amino-acid cation residue + +[Term] +id: CHEBI:58944 +name: dialkyl phosphate anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58945 +name: organophosphate oxoanion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:26079 ! phosphoric acid derivative + +[Term] +id: CHEBI:58946 +name: acyl-CoA oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:58947 +name: N-acylhomoserinate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:58948 +name: aryl(methyl)malonate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion + +[Term] +id: CHEBI:58950 +name: very long-chain fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:58951 +name: short-chain fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:58953 +name: saturated fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:58954 +name: straight-chain saturated fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion + +[Term] +id: CHEBI:58955 +name: branched-chain fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:58956 +name: branched-chain saturated fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion +is_a: CHEBI:58955 ! branched-chain fatty acid anion + +[Term] +id: CHEBI:58958 +name: organosulfate oxoanion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:58961 +name: N-arachidonoylglycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:29348 ! fatty amide + +[Term] +id: CHEBI:589779 +name: piperidinium +is_a: CHEBI:137419 ! secondary ammonium ion + +[Term] +id: CHEBI:59002 +name: N-arachidonoylglycinate +is_a: CHEBI:57670 ! N-acylglycinate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59062 +name: polymyxin +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:46895 ! lipopeptide +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:33282 ! antibacterial agent + +[Term] +id: CHEBI:59080 +name: N-\{alpha-Glc-(1->3)-alpha-Man-(1->2)-alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->6)]-alpha-Man-(1->6)]-beta-Man-(1->4)-beta-GlcNAc-(1->4)-beta-GlcNAc}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:59082 +name: N-\{alpha-Glc-(1->3)-alpha-Glc-(1->3)-alpha-Man-(1->2)-alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->6)]-alpha-Man-(1->6)]-beta-Man-(1->4)-beta-GlcNAc-(1->4)-beta-GlcNAc}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:59087 +name: N-\{alpha-Man-(1->3)-[alpha-Man-(1->3)-[alpha-Man-(1->6)]-alpha-Man-(1->6)]-beta-Man-(1->4)-beta-GlcNAc-(1->4)-beta-GlcNac}-L-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:59107 +name: EC 3.4.24.* (metalloendopeptidase) inhibitor +is_a: CHEBI:37670 ! protease inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor + +[Term] +id: CHEBI:59108 +name: N(4)-glycosylated L-asparagine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:59132 +name: antigen +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:59137 +name: (8xi)-cinchonan +is_a: CHEBI:26513 ! quinolines + +[Term] +id: CHEBI:59138 +name: (8S)-cinchonan +is_a: CHEBI:59137 ! (8xi)-cinchonan + +[Term] +id: CHEBI:59139 +name: gibberellin carboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:59140 +name: precorrin carboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:59163 +name: biomarker +is_a: CHEBI:47867 ! indicator + +[Term] +id: CHEBI:59174 +name: hapten +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:59193 +name: 2-iminio-3-(indol-3-yl)propanoate +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:59194 +name: 2-iminio-3-(7-chloroindol-3-yl)propionate +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:59195 +name: 7-chloro-alpha,beta-didehydrotryptophan +is_a: CHEBI:23591 ! dehydroamino acid + +[Term] +id: CHEBI:59196 +name: dichlorochromopyrrolic acid +is_a: CHEBI:52508 ! chloroindole +is_a: CHEBI:59197 ! pyrroledicarboxylic acid + +[Term] +id: CHEBI:59197 +name: pyrroledicarboxylic acid +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:59198 +name: dichlorochromopyrrolate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:59202 +name: straight-chain fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:59203 +name: straight-chain fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:59237 +name: phenolic phthiocerol +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:27136 ! triol +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:59238 +name: cyclic fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:5924 +name: EC 3.4.21.* (serine endopeptidase) inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor + +[Term] +id: CHEBI:59240 +name: phthiocerol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:18059 ! lipid +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:59252 +name: linear tetrapyrrole anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:59258 +name: N-hydroxy-alpha-amino-acid anion +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:59266 +name: amino trisaccharide +is_a: CHEBI:22483 ! amino oligosaccharide +is_a: CHEBI:63571 ! trisaccharide derivative + +[Term] +id: CHEBI:59268 +name: amino pentasaccharide +is_a: CHEBI:22483 ! amino oligosaccharide +is_a: CHEBI:63566 ! pentasaccharide derivative + +[Term] +id: CHEBI:59270 +name: 2-hydroxymyristic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid + +[Term] +id: CHEBI:59294 +name: alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc +is_a: CHEBI:62287 ! alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:59295 +name: beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc +is_a: CHEBI:62265 ! beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc + +[Term] +id: CHEBI:59296 +name: alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc +is_a: CHEBI:62259 ! alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GlcpNAc +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:59326 +name: prostaglandin carboxylic acid anion +is_a: CHEBI:28868 ! fatty acid anion +is_a: CHEBI:62943 ! prostanoid anion + +[Term] +id: CHEBI:59338 +name: methylammonium +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59345 +name: 5,6,7,8-tetrahydrosarcinapterin +is_a: CHEBI:26914 ! tetrahydromethanopterin + +[Term] +id: CHEBI:59350 +name: 2-hydroxychromene-2-carboxylate +is_a: CHEBI:38674 ! chromenemonocarboxylate + +[Term] +id: CHEBI:59352 +name: chromenemonocarboxylic acid +is_a: CHEBI:23232 ! chromenes +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:59353 +name: (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:59354 +name: (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:59356 +name: 7-(3-methylbut-2-enyl)-L-tryptophan +is_a: CHEBI:47994 ! L-tryptophan derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:59359 +name: hexacarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid + +[Term] +id: CHEBI:59360 +name: hexacarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:59386 +name: 2-O-(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:59466 ! phosphatidylinositol mannoside +relationship: has_role CHEBI:59132 ! antigen + +[Term] +id: CHEBI:59399 +name: glutathione amide +is_a: CHEBI:24337 ! glutathione derivative +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +is_a: CHEBI:47923 ! tripeptide + +[Term] +id: CHEBI:59403 +name: glutathione amide disulfide +is_a: CHEBI:24337 ! glutathione derivative +is_a: CHEBI:35489 ! organic disulfide +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:59410 +name: 3-epi-6-deoxocathasterone +is_a: CHEBI:22921 ! brassinosteroid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid + +[Term] +id: CHEBI:59411 +name: (5alpha,22S,24R)-22-hydroxyergostan-3-one +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:22921 ! brassinosteroid +is_a: CHEBI:36863 ! 22-hydroxy steroid + +[Term] +id: CHEBI:59412 +name: amino tetrasaccharide +is_a: CHEBI:22483 ! amino oligosaccharide +is_a: CHEBI:63567 ! tetrasaccharide derivative + +[Term] +id: CHEBI:59414 +name: muramyl dipeptide +is_a: CHEBI:24396 ! glycopeptide +relationship: has_role CHEBI:50847 ! immunological adjuvant + +[Term] +id: CHEBI:59418 +name: 15beta-hydroxyprogesterone +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:38090 ! 15beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:59433 +name: 2-phospho-L-lactate +is_a: CHEBI:38716 ! carboxylic acid dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59435 +name: L-lactyl-2-diphospho-5'-guanosine(3-) +is_a: CHEBI:38717 ! carboxylic acid trianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59436 +name: L-lactyl-2-diphospho-5'-guanosine +is_a: CHEBI:24458 ! guanosines +is_a: CHEBI:36952 ! carboxyalkyl phosphate + +[Term] +id: CHEBI:59457 +name: 1-(5-phosphonato-beta-D-ribosyl)-5'-AMP(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:59458 +name: N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-) +is_a: CHEBI:59635 ! organophosphonate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59466 +name: phosphatidylinositol mannoside +is_a: CHEBI:24410 ! glycosylphosphatidylinositol +relationship: has_role CHEBI:59132 ! antigen + +[Term] +id: CHEBI:59475 +name: 6-O-acyl-D-glucose +is_a: CHEBI:52782 ! O-acyl carbohydrate +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:59497 +name: beta-D-galactofuranose +is_a: CHEBI:12936 ! D-galactose + +[Term] +id: CHEBI:59505 +name: 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59513 +name: monodehydro-L-ascorbate(1-) +is_a: CHEBI:36877 ! organic radical anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59517 +name: DNA synthesis inhibitor +is_a: CHEBI:76932 ! pathway inhibitor + +[Term] +id: CHEBI:59524 +name: lipoarabinomannan +is_a: CHEBI:24410 ! glycosylphosphatidylinositol +relationship: has_role CHEBI:59132 ! antigen +relationship: has_role CHEBI:72316 ! virulence factor + +[Term] +id: CHEBI:59531 +name: F420-0(2-) +is_a: CHEBI:26544 ! rhamnonate +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:59535 ! pyrimidoquinolines + +[Term] +id: CHEBI:59532 +name: F420-0 +is_a: CHEBI:16648 ! dialkyl phosphate +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:59535 ! pyrimidoquinolines + +[Term] +id: CHEBI:59535 +name: pyrimidoquinolines +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound + +[Term] +id: CHEBI:59536 +name: coenzyme F420-1 +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:59535 ! pyrimidoquinolines +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:59537 +name: coenzyme alpha-F420-3 +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:59535 ! pyrimidoquinolines +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:595389 +name: 4'-demethylrebeccamycin +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:51914 ! organic heterohexacyclic compound +is_a: CHEBI:51915 ! indolocarbazole + +[Term] +id: CHEBI:59539 +name: coenzyme alpha-F420-3(5-) +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:35754 ! tetracarboxylic acid anion +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:59535 ! pyrimidoquinolines +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:59541 +name: coenzyme gamma-F420-2(4-) +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:35753 ! tricarboxylic acid anion +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:59535 ! pyrimidoquinolines +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:59543 +name: coenzyme F420-1(3-) +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:59535 ! pyrimidoquinolines +relationship: has_role CHEBI:23354 ! coenzyme + +[Term] +id: CHEBI:59544 +name: phosphoantigen +is_a: CHEBI:59132 ! antigen + +[Term] +id: CHEBI:59545 +name: 2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate(2-) +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:38337 ! pyrimidone +is_a: CHEBI:38338 ! aminopyrimidine +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59546 +name: 2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:38337 ! pyrimidone +is_a: CHEBI:38338 ! aminopyrimidine + +[Term] +id: CHEBI:59549 +name: essential fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid + +[Term] +id: CHEBI:59554 +name: medium-chain fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:59558 +name: medium-chain fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:59560 +name: sapropterin +is_a: CHEBI:15372 ! 5,6,7,8-tetrahydrobiopterin +relationship: has_role CHEBI:23354 ! coenzyme +relationship: has_role CHEBI:33295 ! diagnostic agent +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59561 +name: diamino acid anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:59562 +name: 5-hydroxyisouric acid anion +is_a: CHEBI:25810 ! oxopurine +is_a: CHEBI:30848 ! urate(1-) + +[Term] +id: CHEBI:59564 +name: thermospermine +is_a: CHEBI:39166 ! tetramine +is_a: CHEBI:39474 ! polyazaalkane + +[Term] +id: CHEBI:59573 +name: (1->2)-beta-D-mannan +is_a: CHEBI:28808 ! mannan + +[Term] +id: CHEBI:59595 +name: arabinofuranosyl group +is_a: CHEBI:24403 ! glycosyl group + +[Term] +id: CHEBI:59633 +name: mycothiol S-conjugate +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside + +[Term] +id: CHEBI:59635 +name: organophosphonate oxoanion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives + +[Term] +id: CHEBI:59640 +name: N-acetylglucosamine +is_a: CHEBI:21638 ! N-acylglucosamine +relationship: has_role CHEBI:78366 ! EC 2.7.1.1 (hexokinase) inhibitor + +[Term] +id: CHEBI:59643 +name: thia fatty acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:59644 +name: oxo fatty acid +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:59647 +name: EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor +is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor + +[Term] +id: CHEBI:59648 +name: precursor Z(1-) +is_a: CHEBI:58944 ! dialkyl phosphate anion + +[Term] +id: CHEBI:59650 +name: amino fatty acid +is_a: CHEBI:32952 ! amine +is_a: CHEBI:33709 ! amino acid +is_a: CHEBI:60690 ! nitrogen-containing fatty acid + +[Term] +id: CHEBI:59651 +name: arseno-mycothiol +is_a: CHEBI:22632 ! arsenic molecular entity + +[Term] +id: CHEBI:59653 +name: arseno-mycothiol(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:59655 +name: arseno-mycothiol(2-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:59683 +name: antipruritic drug +is_a: CHEBI:50177 ! dermatologic drug + +[Term] +id: CHEBI:59685 +name: edaxadiene +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:59686 ! halimane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:59686 +name: halimane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:59687 +name: halimane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent + +[Term] +id: CHEBI:59696 +name: steroid sulfate oxoanion +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:59698 +name: phosphoric acids +is_a: CHEBI:33457 ! phosphorus oxoacid + +[Term] +id: CHEBI:59699 +name: N,N-dihydroxy-alpha-amino-acid anion +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:59720 +name: HPETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:59724 +name: ribonucleoside triphosphate oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:597326 +name: pyridoxal 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59737 +name: nucleotide-sugar oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59739 +name: electrophilic reagent +is_a: CHEBI:33893 ! reagent +is_a: CHEBI:39143 ! Lewis acid + +[Term] +id: CHEBI:59740 +name: nucleophilic reagent +is_a: CHEBI:33893 ! reagent +is_a: CHEBI:39144 ! Lewis base + +[Term] +id: CHEBI:5975 +name: iron chelate +is_a: CHEBI:33892 ! iron coordination entity + +[Term] +id: CHEBI:59758 +name: omega-amino fatty acid +is_a: CHEBI:59650 ! amino fatty acid + +[Term] +id: CHEBI:59765 +name: boric acids +is_a: CHEBI:33145 ! boron oxoacid +relationship: has_role CHEBI:138103 ! inorganic acid + +[Term] +id: CHEBI:59768 +name: aliphatic aldehyde +is_a: CHEBI:17478 ! aldehyde + +[Term] +id: CHEBI:59769 +name: acetal +is_a: CHEBI:36963 ! organooxygen compound + +[Term] +id: CHEBI:59770 +name: cyclic acetal +is_a: CHEBI:24532 ! organic heterocyclic compound +is_a: CHEBI:59769 ! acetal + +[Term] +id: CHEBI:59772 +name: hemiketal +is_a: CHEBI:5653 ! hemiacetal + +[Term] +id: CHEBI:59776 +name: D-glyceraldehyde 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59777 +name: ketal +is_a: CHEBI:59769 ! acetal + +[Term] +id: CHEBI:59779 +name: cyclic ketal +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:59777 ! ketal + +[Term] +id: CHEBI:59780 +name: cyclic hemiketal +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:59772 ! hemiketal + +[Term] +id: CHEBI:59783 +name: 2-hydroxy-4-methylvaleric acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:59786 +name: thioaldehyde +is_a: CHEBI:50492 ! thiocarbonyl compound + +[Term] +id: CHEBI:59789 +name: S-adenosyl-L-methionine zwitterion +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:26830 ! sulfonium compound + +[Term] +id: CHEBI:59791 +name: gibberellin A3 O-beta-D-glucoside(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion + +[Term] +id: CHEBI:59792 +name: thioacetal +is_a: CHEBI:33261 ! organosulfur compound + +[Term] +id: CHEBI:59793 +name: monothioacetal +is_a: CHEBI:59792 ! thioacetal + +[Term] +id: CHEBI:598 +name: 1-alkyl-2-acylglycerol +is_a: CHEBI:24353 ! glycerol ether +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:76578 ! disubstituted glycerol + +[Term] +id: CHEBI:59806 +name: (S)-nicotinium(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:59807 +name: (24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:59809 +name: docetaxel trihydrate +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35505 ! hydrate +relationship: has_part CHEBI:4672 ! docetaxel anhydrous +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:59814 +name: L-alpha-amino acid anion +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:59815 +name: 2,3,5,6-tetrachlorophenolate +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:59825 +name: CMP-3-deoxy-alpha-D-manno-octulosonate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:59826 +name: progestin +is_a: CHEBI:50745 ! progestogen + +[Term] +id: CHEBI:59835 +name: hydroxy fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:59836 +name: oxo fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:59845 +name: 3-hydroxy fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:59848 +name: thia fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:59863 +name: D-fructofuranuronate +is_a: CHEBI:16849 ! D-fructuronate + +[Term] +id: CHEBI:59864 +name: depigmentation drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:59869 +name: L-alpha-amino acid zwitterion +is_a: CHEBI:78608 ! alpha-amino acid zwitterion + +[Term] +id: CHEBI:59871 +name: D-alpha-amino acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:59872 +name: heptaketide +is_a: CHEBI:26188 ! polyketide + +[Term] +id: CHEBI:59874 +name: N-acyl-L-alpha-amino acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:59876 +name: N-acyl-D-alpha-amino acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:59879 +name: (24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:59881 +name: keto-D-fructuronate +is_a: CHEBI:16849 ! D-fructuronate + +[Term] +id: CHEBI:59884 +name: XDP(3-) +is_a: CHEBI:53012 ! xanthosine 5'-phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59885 +name: XTP(3-) +is_a: CHEBI:53012 ! xanthosine 5'-phosphate +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:59887 +name: 2-imino-3-(7-chloroindol-3-yl)propionate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:59888 +name: gamma-aminobutyric acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:59889 +name: ureidoperacrylic acid +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:52094 ! peroxy acid + +[Term] +id: CHEBI:59890 +name: ureidoacrylic acid +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:59891 +name: ureidoacrylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:59892 +name: (Z)-3-aminoperacrylic acid +is_a: CHEBI:52094 ! peroxy acid + +[Term] +id: CHEBI:59893 +name: (Z)-3-aminoacrylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:59894 +name: (Z)-3-aminoacrylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:59895 +name: glutathione amide zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:59896 +name: glutathione amide disulfide dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +is_a: CHEBI:35489 ! organic disulfide + +[Term] +id: CHEBI:59897 +name: EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor +is_a: CHEBI:22587 ! antiviral agent +is_a: CHEBI:38234 ! DNA polymerase inhibitor + +[Term] +id: CHEBI:59898 +name: 3-iodo-L-tyrosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:59899 +name: 3-nitropropanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:59903 +name: thermosperminium(4+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:59904 +name: 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:59905 +name: dopaminium(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59906 +name: 2-phosphonato-L-lactate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59907 +name: F420-0(3-) +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59908 +name: ecgoninium methyl ester(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:59910 +name: N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosaminium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:59911 +name: N-formylmaleamate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:59913 +name: thio-fatty acid +is_a: CHEBI:33576 ! sulfur-containing carboxylic acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:59914 +name: thio fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:59916 +name: methylmalonyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:59917 +name: 4-O-phosphohygromycin B(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:59918 +name: acyl monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59920 +name: coenzyme F420-1(4-) +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:59922 +name: N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine +is_a: CHEBI:50674 ! chitobioses + +[Term] +id: CHEBI:59923 +name: coenzyme alpha-F420-3(6-) +is_a: CHEBI:26554 ! ribitol phosphate +is_a: CHEBI:35754 ! tetracarboxylic acid anion + +[Term] +id: CHEBI:59924 +name: 5,6,7,8-tetrahydrosarcinapterin(4-) +is_a: CHEBI:35753 ! tricarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59930 +name: N-formylmaleamic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:59945 +name: (S)-2-ureidoglycine +is_a: CHEBI:16282 ! 2-ureidoglycine + +[Term] +id: CHEBI:59947 +name: (S)-2-ureidoglycine zwitterion +is_a: CHEBI:57714 ! 2-ureidoglycine zwitterion + +[Term] +id: CHEBI:59948 +name: columbianetin +is_a: CHEBI:24128 ! furanocoumarin +is_a: CHEBI:26878 ! tertiary alcohol + +[Term] +id: CHEBI:59950 +name: neopinone(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:59953 +name: thebaine(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:59955 +name: D-glycero-D-manno-heptose 7-phosphate(2-) +is_a: CHEBI:35157 ! aldoheptose phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59957 +name: D-glycero-D-manno-heptose 1,7-bisphosphate(4-) +is_a: CHEBI:35157 ! aldoheptose phosphate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59958 +name: (3S,6E)-nerolidol +is_a: CHEBI:141283 ! (6E)-nerolidol +is_a: CHEBI:7524 ! nerolidol + +[Term] +id: CHEBI:59959 +name: (3R,6E)-nerolidol +is_a: CHEBI:141283 ! (6E)-nerolidol +is_a: CHEBI:7524 ! nerolidol + +[Term] +id: CHEBI:59961 +name: alpha-selinene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:49272 ! selinene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:59964 +name: imidazolium ion +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:59966 +name: ADP-D-glycero-beta-D-manno-heptose +is_a: CHEBI:16693 ! ADP-D-glycero-D-manno-heptose + +[Term] +id: CHEBI:59967 +name: ADP-D-glycero-beta-D-manno-heptose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:59969 +name: GDP-D-glycero-alpha-D-manno-heptose +is_a: CHEBI:21169 ! GDP-sugar + +[Term] +id: CHEBI:59971 +name: GDP-D-glycero-alpha-D-manno-heptose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:59976 +name: 3'-O-methyltricetin +is_a: CHEBI:138730 ! 3'-methoxyflavones +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38684 ! tetrahydroxyflavone +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:59979 +name: 3',5'-di-O-methyltricetin +is_a: CHEBI:138730 ! 3'-methoxyflavones +is_a: CHEBI:23798 ! dimethoxyflavone +is_a: CHEBI:27116 ! trihydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor + +[Term] +id: CHEBI:59985 +name: beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:59988 +name: alpha-tyvelopyranose +is_a: CHEBI:30943 ! tyvelose + +[Term] +id: CHEBI:59990 +name: N,N-dimethyl-4-nitrosoaniline +is_a: CHEBI:16269 ! N,N-dimethylaniline +is_a: CHEBI:35800 ! nitroso compound + +[Term] +id: CHEBI:59991 +name: 4-(hydroxylamino)-N,N-dimethylaniline +is_a: CHEBI:16269 ! N,N-dimethylaniline +is_a: CHEBI:24709 ! hydroxylamines + +[Term] +id: CHEBI:59996 +name: 1,2-diacyl-sn-glycerol 3-diphosphate(3-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:59997 +name: EC 1.14.18.1 (tyrosinase) inhibitor +is_a: CHEBI:76845 ! EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor + +[Term] +id: CHEBI:59998 +name: 1,2-diacyl-sn-glycerol 3-diphosphate +is_a: CHEBI:26706 ! sn-glycerol 3-phosphates + +[Term] +id: CHEBI:59999 +name: chemical substance +is_a: CHEBI:24431 ! chemical entity + +[Term] +id: CHEBI:60000 +name: 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:60001 +name: pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:60002 +name: D-glycero-D-manno-heptose 1-phosphate(2-) +is_a: CHEBI:35157 ! aldoheptose phosphate + +[Term] +id: CHEBI:60004 +name: mixture +is_a: CHEBI:59999 ! chemical substance + +[Term] +id: CHEBI:60005 +name: 3-amino-4-hydroxybenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate +is_a: CHEBI:63473 ! aromatic amino-acid anion + +[Term] +id: CHEBI:60006 +name: laricitrin(1-) +is_a: CHEBI:58588 ! flavonol oxoanion + +[Term] +id: CHEBI:60007 +name: sulfoglycolithocholate(2-) +is_a: CHEBI:132924 ! sulfoglycolithocholate anion +is_a: CHEBI:57670 ! N-acylglycinate +is_a: CHEBI:59696 ! steroid sulfate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60008 +name: glycolithocholate +is_a: CHEBI:57670 ! N-acylglycinate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60009 +name: UDP-6-sulfoquinovose(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:60014 +name: 3'-O-methyltricetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:60015 +name: 2,3-dehydroacyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:60016 +name: 3',5'-di-O-methyltricetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:60020 +name: 3',4',5'-O-trimethyltricetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:60023 +name: CoA-glutathione(5-) +is_a: CHEBI:35489 ! organic disulfide +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60025 +name: (5Z,7E,9E,14Z,17Z)-icosapentaenoate +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:60027 +name: polymer +is_a: CHEBI:60004 ! mixture +relationship: has_part CHEBI:33839 ! macromolecule + +[Term] +id: CHEBI:60028 +name: guanosine 3'-diphosphate 5'-triphosphate(6-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:60029 +name: homopolymer +is_a: CHEBI:60027 ! polymer +relationship: has_part CHEBI:37997 ! homopolymer macromolecule + +[Term] +id: CHEBI:60032 +name: undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine(3-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:60033 +name: lipid II(3-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:60038 +name: flavonoid oxoanion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:60039 +name: L-proline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60040 +name: alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine(1-) +is_a: CHEBI:136398 ! N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:79346 ! anionic ganglioside + +[Term] +id: CHEBI:60041 +name: cis-3-hydroxy-L-proline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60043 +name: 5'-acylphosphoadenosine(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60045 +name: tricetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:60047 +name: N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60048 +name: pelargonidin 3-O-rutinoside betaine +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:60049 +name: cobalt-sirohydrochlorin(8-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:60050 +name: estrone 3-sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60051 +name: N-formyl-D-kynurenine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60052 +name: siroheme(8-) +is_a: CHEBI:30413 ! heme +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:600520 +name: micafungin +is_a: CHEBI:57248 ! echinocandin +is_a: CHEBI:87113 ! antibiotic antifungal drug +relationship: has_role CHEBI:35441 ! antiinfective agent + +[Term] +id: CHEBI:60053 +name: cobalt-precorrin-2(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:60055 +name: dermatan 6'-sulfate anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:60056 +name: cocaine(1+) +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:37332 ! tropane alkaloid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60057 +name: N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60058 +name: S-acylglutathionate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:60059 +name: dermatan anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:60060 +name: cobalt-precorrin-3(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:60061 +name: cobalt-precorrin-4(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:60062 +name: cobalt-precorrin-5A(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:60063 +name: cobalt-precorrin-5B(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:60064 +name: cobalt-precorrin-6A(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion + +[Term] +id: CHEBI:60065 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:79210 ! alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) +is_a: CHEBI:88071 ! monosialodiglycosylceramide(1-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60073 +name: N-acylneuraminate +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:62944 ! sialic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:60076 +name: 6-O-sinapoyl-D-glucono-1,5-lactone +is_a: CHEBI:24267 ! gluconolactone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:60077 +name: luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] +is_a: CHEBI:25091 ! luteolin O-glucuronoside +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:60078 +name: 4-O-feruloyl-D-quinate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:60079 +name: alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(1-) +is_a: CHEBI:136398 ! N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:79346 ! anionic ganglioside + +[Term] +id: CHEBI:60080 +name: O-phosphoviomycin(1+) +is_a: CHEBI:60195 ! cyclic peptide cation +is_a: CHEBI:60196 ! O-phospho peptide cation + +[Term] +id: CHEBI:60081 +name: viomycin(3+) +is_a: CHEBI:60195 ! cyclic peptide cation +relationship: has_role CHEBI:33231 ! antitubercular agent + +[Term] +id: CHEBI:60082 +name: vinca alkaloid cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:60083 +name: galactitol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60084 +name: D-glucitol 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60085 +name: phosphoethanolamine-Kdo2-lipid A(6-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:60086 +name: lipid A oxoanion +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:60087 +name: 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate +is_a: CHEBI:23469 ! cyclohexadienediol +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:60090 +name: 7-hydroxyflavon-3-olate +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:60091 +name: alpha,alpha-trehalose-2-sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:60092 +name: SL659 +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:60117 ! trehalose sulfate +is_a: CHEBI:62552 ! polyacyl alpha,alpha-trehalose derivative + +[Term] +id: CHEBI:60096 +name: poly(glycerol phosphate) +is_a: CHEBI:60029 ! homopolymer +relationship: has_part CHEBI:15943 ! poly(glycerol phosphate) macromolecule + +[Term] +id: CHEBI:60101 +name: UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:60102 +name: sulfurated eukaryotic molybdenum cofactor(2-) +is_a: CHEBI:21437 ! Mo-molybdopterin cofactor + +[Term] +id: CHEBI:60104 +name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl group +is_a: CHEBI:21524 ! N-acetyl-D-glucosaminyl groups + +[Term] +id: CHEBI:60105 +name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl(1-) group +is_a: CHEBI:21524 ! N-acetyl-D-glucosaminyl groups +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:60106 +name: streptidine 6-phosphate zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:60107 +name: N(5)-[(hydroxyamino)(imino)methyl]-L-ornithinium(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:60108 +name: 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:60109 +name: 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:60110 +name: 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate(3-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:83195 ! glycerophosphoglycerophosphate anion + +[Term] +id: CHEBI:60111 +name: N(5)-[amino(hydroxyimino)methyl]-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60113 +name: (R)-nipecotamide +is_a: CHEBI:60116 ! nipecotamide + +[Term] +id: CHEBI:60114 +name: alpha,alpha-trehalose-2-sulfate +is_a: CHEBI:60117 ! trehalose sulfate + +[Term] +id: CHEBI:60115 +name: (S)-nipecotamide +is_a: CHEBI:60116 ! nipecotamide + +[Term] +id: CHEBI:60116 +name: nipecotamide +is_a: CHEBI:48592 ! piperidinecarboxamide + +[Term] +id: CHEBI:60117 +name: trehalose sulfate +is_a: CHEBI:37909 ! oligosaccharide sulfate + +[Term] +id: CHEBI:60118 +name: (R)-nipecotamide(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:60119 +name: sphingosine 1-phosphate(1-) +is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60120 +name: (R)-nipecotic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60129 +name: (1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate +is_a: CHEBI:36465 ! cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate + +[Term] +id: CHEBI:60131 +name: (1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate +is_a: CHEBI:36465 ! cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate + +[Term] +id: CHEBI:60151 +name: oxidised LDL +is_a: CHEBI:6495 ! lipoprotein + +[Term] +id: CHEBI:60152 +name: beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:25002 ! lactosamines + +[Term] +id: CHEBI:60158 +name: (E)-4,8-dimethyl-1,3,7-nonatriene +is_a: CHEBI:33647 ! alkatriene + +[Term] +id: CHEBI:60160 +name: polyester polymer +is_a: CHEBI:60027 ! polymer +relationship: has_part CHEBI:26178 ! polyester macromolecule + +[Term] +id: CHEBI:60164 +name: ionic polymer +is_a: CHEBI:60027 ! polymer +relationship: has_part CHEBI:53368 ! ionic macromolecule + +[Term] +id: CHEBI:60169 +name: phosphatidylinositol trisphosphate +is_a: CHEBI:28765 ! phosphatidylinositol phosphate + +[Term] +id: CHEBI:60173 +name: purine deoxyribonucleoside +is_a: CHEBI:23636 ! deoxyribonucleoside +is_a: CHEBI:26394 ! purine nucleoside + +[Term] +id: CHEBI:60174 +name: rhamnogalacturonan I +is_a: CHEBI:26543 ! rhamnogalacturonan + +[Term] +id: CHEBI:60175 +name: 5-hydroxylysine +is_a: CHEBI:86498 ! hydroxylysine + +[Term] +id: CHEBI:60186 +name: EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor +is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor + +[Term] +id: CHEBI:60187 +name: alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Gal +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:60189 +name: 4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:60190 +name: homogalacturonan +is_a: CHEBI:24174 ! galacturonan + +[Term] +id: CHEBI:60191 +name: rhamnogalacturonan II +is_a: CHEBI:24174 ! galacturonan + +[Term] +id: CHEBI:60192 +name: triacyl lipopeptide +is_a: CHEBI:46895 ! lipopeptide + +[Term] +id: CHEBI:60193 +name: queuosine +is_a: CHEBI:50660 ! 7-deazaguanine ribonucleoside + +[Term] +id: CHEBI:60194 +name: peptide cation +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:60195 +name: cyclic peptide cation +is_a: CHEBI:60194 ! peptide cation + +[Term] +id: CHEBI:60196 +name: O-phospho peptide cation +is_a: CHEBI:60194 ! peptide cation + +[Term] +id: CHEBI:60197 +name: bacteriochlorophyll c +is_a: CHEBI:38201 ! bacteriochlorophyll + +[Term] +id: CHEBI:60199 +name: acyl monophosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60202 +name: D-glycero-beta-D-manno-heptose 7-phosphate +is_a: CHEBI:28723 ! D-glycero-D-manno-heptose 7-phosphate + +[Term] +id: CHEBI:60203 +name: D-glycero-alpha-D-manno-heptose 7-phosphate(2-) +is_a: CHEBI:59955 ! D-glycero-D-manno-heptose 7-phosphate(2-) + +[Term] +id: CHEBI:60204 +name: D-glycero-beta-D-manno-heptose 7-phosphate(2-) +is_a: CHEBI:59955 ! D-glycero-D-manno-heptose 7-phosphate(2-) + +[Term] +id: CHEBI:60205 +name: D-glycero-alpha-D-manno-heptose 1,7-bisphosphate +is_a: CHEBI:4188 ! D-glycero-D-manno-heptose 1,7-bisphosphate + +[Term] +id: CHEBI:60206 +name: D-glycero-beta-D-manno-heptose 1,7-bisphosphate +is_a: CHEBI:4188 ! D-glycero-D-manno-heptose 1,7-bisphosphate + +[Term] +id: CHEBI:60207 +name: D-glycero-alpha-D-manno-heptose 1,7-bisphosphate(4-) +is_a: CHEBI:59957 ! D-glycero-D-manno-heptose 1,7-bisphosphate(4-) + +[Term] +id: CHEBI:60208 +name: D-glycero-beta-D-manno-heptose 1,7-bisphosphate(4-) +is_a: CHEBI:59957 ! D-glycero-D-manno-heptose 1,7-bisphosphate(4-) + +[Term] +id: CHEBI:60215 +name: W-molybdopterin cofactor +is_a: CHEBI:25372 ! molybdopterin cofactor +is_a: CHEBI:35233 ! tungsten coordination entity + +[Term] +id: CHEBI:60239 +name: beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59412 ! amino tetrasaccharide + +[Term] +id: CHEBI:60240 +name: divalent metal cation +is_a: CHEBI:25213 ! metal cation +is_a: CHEBI:64641 ! divalent inorganic cation + +[Term] +id: CHEBI:60242 +name: monovalent inorganic cation +is_a: CHEBI:36915 ! inorganic cation + +[Term] +id: CHEBI:60245 +name: inositol phosphoceramide +is_a: CHEBI:35786 ! phosphosphingolipid + +[Term] +id: CHEBI:60247 +name: silver ion +is_a: CHEBI:33966 ! elemental silver +is_a: CHEBI:36914 ! inorganic ion + +[Term] +id: CHEBI:60248 +name: nickel ion +is_a: CHEBI:36914 ! inorganic ion + +[Term] +id: CHEBI:60249 +name: lead ion +is_a: CHEBI:36914 ! inorganic ion +is_a: CHEBI:37193 ! elemental lead + +[Term] +id: CHEBI:60250 +name: selenium ion +is_a: CHEBI:36904 ! elemental selenium +is_a: CHEBI:36914 ! inorganic ion + +[Term] +id: CHEBI:60251 +name: guanidinium ion +is_a: CHEBI:35286 ! iminium ion + +[Term] +id: CHEBI:60252 +name: lead cation +is_a: CHEBI:25213 ! metal cation +is_a: CHEBI:60249 ! lead ion + +[Term] +id: CHEBI:60253 +name: silver cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:60247 ! silver ion + +[Term] +id: CHEBI:60254 +name: (3R)-3-(tert-butylcarbamoyl)piperazin-1-ium +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:60255 +name: puromycin(1+) +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:60256 +name: (4S)-N-(2,3-dihydroxytetracosanoyl)-4-hydroxysphinganine +is_a: CHEBI:31998 ! N-acylphytosphingosine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60257 +name: N(omega)-methyl-L-arginine zwitterion +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60258 +name: EC 3.4.* (hydrolases acting on peptide bond) inhibitor +is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor + +[Term] +id: CHEBI:60260 +name: 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion +is_a: CHEBI:78198 ! 1-(alk-1-enyl)-2-acyl-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:60267 +name: N(omega)-(ADP-D-ribosyl)-L-arginine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:60268 +name: phosphonatoformate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:60270 +name: caesium ion +is_a: CHEBI:36914 ! inorganic ion +is_a: CHEBI:37128 ! caesium molecular entity + +[Term] +id: CHEBI:60271 +name: tellurium ion +is_a: CHEBI:36660 ! elemental tellurium +is_a: CHEBI:36914 ! inorganic ion + +[Term] +id: CHEBI:60272 +name: aluminium ion +is_a: CHEBI:33628 ! elemental aluminium +is_a: CHEBI:36914 ! inorganic ion + +[Term] +id: CHEBI:60273 +name: 1,2-dilauroyl-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:16110 ! 1,2-diacyl-sn-glycero-3-phosphocholine(1+) + +[Term] +id: CHEBI:60302 +name: L-thyroxine(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:60308 +name: 3,3',5-triiodo-L-thyroninate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63477 ! iodothyroninate + +[Term] +id: CHEBI:60311 +name: thyroid hormone +is_a: CHEBI:24621 ! hormone + +[Term] +id: CHEBI:60319 +name: 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:16110 ! 1,2-diacyl-sn-glycero-3-phosphocholine(1+) + +[Term] +id: CHEBI:6032 +name: isonicotinic acid +is_a: CHEBI:26420 ! pyridinemonocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:60327 +name: ganglioside GM2 (18:0) +is_a: CHEBI:21509 ! N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine +is_a: CHEBI:36541 ! sialotriaosylceramide +relationship: has_role CHEBI:59132 ! antigen + +[Term] +id: CHEBI:60331 +name: 2-O-(6-phospho-alpha-D-mannosyl)-D-glycerate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:60332 +name: alpha-D-mannose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:60334 +name: peptide anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:60344 +name: ferroheme b(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60345 +name: organic phosphoramidate anion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:60356 +name: tetraoleyl cardiolipin +is_a: CHEBI:28494 ! cardiolipin +relationship: has_role CHEBI:59132 ! antigen + +[Term] +id: CHEBI:60362 +name: (KDO)3-lipid IVA +is_a: CHEBI:25051 ! lipid As + +[Term] +id: CHEBI:60364 +name: (KDO)-lipid IVA(5-) +is_a: CHEBI:60373 ! lipid IVA oxoanion + +[Term] +id: CHEBI:60365 +name: (KDO)2-lipid IVA(6-) +is_a: CHEBI:60373 ! lipid IVA oxoanion + +[Term] +id: CHEBI:60367 +name: (KDO)3-lipid IVA(7-) +is_a: CHEBI:60373 ! lipid IVA oxoanion + +[Term] +id: CHEBI:60369 +name: trans,poly-cis-decaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60373 +name: lipid IVA oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60374 +name: 2-cis,6-cis-farnesyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60377 +name: cytidine 5'-monophosphate(2-) +is_a: CHEBI:138238 ! pyrimidine ribonucleoside 5'-monophosphate(2-) +is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate +is_a: CHEBI:26446 ! pyrimidine ribonucleotide +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60384 +name: N-(2,3-dihydroxyhexacosanoyl)-(4S)-hydroxysphinganine +is_a: CHEBI:31998 ! N-acylphytosphingosine +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60385 +name: ditrans,polycis-tridecaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60386 +name: ditrans,polycis-dodecaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60387 +name: ditrans,polycis-tetradecaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60388 +name: tri-trans,poly-cis-undecaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60389 +name: alpha-L-galactose 1-phosphate(2-) +is_a: CHEBI:58908 ! L-galactose 1-phosphate(2-) +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:6039 +name: isopimaric acid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:60390 +name: D-alanyl-D-serine zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion + +[Term] +id: CHEBI:60392 +name: ditrans,polycis-undecaprenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60402 +name: Ins-1-P-Cer(d18:0/24:0) +is_a: CHEBI:60245 ! inositol phosphoceramide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60405 +name: Ins-1-P-Cer(d18:0/26:0) +is_a: CHEBI:60245 ! inositol phosphoceramide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60409 +name: Ins-1-P-Cer(d18:0/2-OH-26:0) +is_a: CHEBI:60245 ! inositol phosphoceramide +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:6041 +name: (+)-isopiperitenone +is_a: CHEBI:50110 ! isopiperitenone + +[Term] +id: CHEBI:60416 +name: Man-beta1-2-Ins-1-P-Cer(d18:0/24:0) +is_a: CHEBI:139446 ! Man-1-2-Ins-1-P-Cer(d18:0) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60427 +name: dioleoyl phosphatidic acid +is_a: CHEBI:134027 ! 1,2-bis(octadec-9-enoyl)phosphatidic acid + +[Term] +id: CHEBI:60430 +name: 2-monolysocardiolipin +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:60431 +name: 2,2'-dilysocardiolipin +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:60448 +name: mannose-1D-myo-inositol 1-phosphate +is_a: CHEBI:84140 ! myo-inositol monophosphate derivative +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60449 +name: mannose-(1D-myo-inositol 1-phosphate)2 +is_a: CHEBI:84140 ! myo-inositol monophosphate derivative +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60454 +name: Fe-coproporphyrin III +is_a: CHEBI:25216 ! metalloporphyrin + +[Term] +id: CHEBI:60459 +name: trans,poly-cis-decaprenyl diphosphate +is_a: CHEBI:53043 ! decaprenyl diphosphate + +[Term] +id: CHEBI:60460 +name: ditrans,polycis-tridecaprenyl diphosphate +is_a: CHEBI:53040 ! tridecaprenyl diphosphate + +[Term] +id: CHEBI:60461 +name: ditrans,polycis-dodecaprenyl diphosphate +is_a: CHEBI:53041 ! dodecaprenyl diphosphate + +[Term] +id: CHEBI:60462 +name: ditrans,polycis-tetradecaprenyl diphosphate +is_a: CHEBI:53039 ! tetradecaprenyl diphosphate + +[Term] +id: CHEBI:60463 +name: 4-amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:60464 +name: tri-trans,poly-cis-undecaprenyl diphosphate +is_a: CHEBI:53042 ! undecaprenyl diphosphate + +[Term] +id: CHEBI:60465 +name: alpha-L-galactose 1-phosphate +is_a: CHEBI:53025 ! L-galactose 1-phosphate + +[Term] +id: CHEBI:60466 +name: peptide zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:60467 +name: D-alanyl-D-serine +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:60468 +name: ditrans,polycis-undecaprenyl phosphate +is_a: CHEBI:27193 ! undecaprenyl phosphate + +[Term] +id: CHEBI:60471 +name: dUDP(3-) +is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60472 +name: 4-amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:60473 +name: 5,10-methylenetetrahydrofolate polyglutamate macromolecule +is_a: CHEBI:53368 ! ionic macromolecule + +[Term] +id: CHEBI:60479 +name: lysophosphatidylcholine +is_a: CHEBI:36313 ! glycerophosphocholine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60481 +name: N',N'',N'''-triacetylfusarinine C +is_a: CHEBI:33892 ! iron coordination entity +is_a: CHEBI:35352 ! organonitrogen compound + +[Term] +id: CHEBI:60486 +name: trehalose monomycolate +is_a: CHEBI:27083 ! trehalose mycolate + +[Term] +id: CHEBI:60487 +name: adenosylcobinamide guanosyl diphosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60488 +name: cob(I)alamin(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60489 +name: magnesium 13(1)-hydroxyprotoporphyrin 13-monomethyl ester(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:60490 +name: magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:60491 +name: magnesium protoporphyrin 13-monomethyl ester(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:60492 +name: magnesium protoporphyrin(2-) +is_a: CHEBI:25111 ! magnesium porphyrin + +[Term] +id: CHEBI:60493 +name: adenosylcobalamin 5'-phosphate(2-) +is_a: CHEBI:140785 ! alkylcob(III)alamin +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60494 +name: 5-hydroxybenzimidazolylcob(I)amide(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60520 +name: 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:68488 ! alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:78197 ! 1-alkyl-2-acyl-glycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:60521 +name: indole alkaloid cation +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:60522 +name: phosphatidylglycerol phosphate(3-) +is_a: CHEBI:83195 ! glycerophosphoglycerophosphate anion + +[Term] +id: CHEBI:60523 +name: phosphatidylglycerol(1-) +is_a: CHEBI:62643 ! anionic phospholipid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60524 +name: 3-O-L-alanyl-1-O-phosphatidylglycerol zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:60529 +name: ergoline alkaloid +is_a: CHEBI:22315 ! alkaloid + +[Term] +id: CHEBI:60530 +name: ferroheme o(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:60531 +name: flavin(1-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:60540 +name: coenzyme F430(5-) +is_a: CHEBI:35755 ! pentacarboxylic acid anion + +[Term] +id: CHEBI:60549 +name: ferroheme d1(4-) +is_a: CHEBI:35754 ! tetracarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:60562 +name: ferroheme c +is_a: CHEBI:38573 ! ferroheme + +[Term] +id: CHEBI:60568 +name: 1,2-dioleoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:90437 ! phosphatidylserine(18:1/18:1) +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:60579 +name: calcium oxalate +is_a: CHEBI:51031 ! organic calcium salt +relationship: has_part CHEBI:30623 ! oxalate(2-) + +[Term] +id: CHEBI:60584 +name: bicozamycin +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:38295 ! azabicycloalkane +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:55323 ! antidiarrhoeal drug + +[Term] +id: CHEBI:60585 +name: 3,6-diamino-10-methylacridinium +is_a: CHEBI:52839 ! acridinium ion + +[Term] +id: CHEBI:60598 +name: opioid agent +is_a: CHEBI:35942 ! neurotransmitter agent + +[Term] +id: CHEBI:60599 +name: mu-opioid agent +is_a: CHEBI:60598 ! opioid agent + +[Term] +id: CHEBI:60606 +name: opioid receptor agonist +is_a: CHEBI:48705 ! agonist +is_a: CHEBI:60598 ! opioid agent + +[Term] +id: CHEBI:60615 +name: N(4)-\{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:60625 +name: N(4)-\{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:60627 +name: N(4)-\{alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:60628 +name: N(4)-\{alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:60637 +name: N(4)-\{alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue + +[Term] +id: CHEBI:60643 +name: NMDA receptor antagonist +is_a: CHEBI:60798 ! excitatory amino acid antagonist + +[Term] +id: CHEBI:60645 +name: 2-hydroxy-3-methylbutyric acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60651 +name: N(4)-\{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc}-Asn residue +is_a: CHEBI:59108 ! N(4)-glycosylated L-asparagine residue +relationship: has_part CHEBI:63488 ! beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc-yl group + +[Term] +id: CHEBI:60653 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine(1+) +is_a: CHEBI:16110 ! 1,2-diacyl-sn-glycero-3-phosphocholine(1+) + +[Term] +id: CHEBI:60655 +name: 6-methoxy-2-octaprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:26253 ! polyprenylhydroquinone + +[Term] +id: CHEBI:60656 +name: 5-methoxy-2-methyl-3-octaprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:26253 ! polyprenylhydroquinone + +[Term] +id: CHEBI:606564 +name: prostaglandin E2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:36063 ! oxytocic +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:606565 +name: N-benzoylglycinate +is_a: CHEBI:132966 ! hippurate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60657 +name: 1,2-di-O-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:60687 +name: cembrane diterpenoid +is_a: CHEBI:23849 ! diterpenoid + +[Term] +id: CHEBI:60689 +name: cembrane +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:60690 +name: nitrogen-containing fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:60691 +name: aza fatty acid +is_a: CHEBI:60690 ! nitrogen-containing fatty acid + +[Term] +id: CHEBI:60721 +name: all-trans-decaprenyl diphosphate(3-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) + +[Term] +id: CHEBI:60724 +name: dipalmitoyl phosphatidylglycerol +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:60732 +name: guanosine 3'-monophosphate(2-) +is_a: CHEBI:66949 ! nucleoside 3'-phosphate(2-) + +[Term] +id: CHEBI:60761 +name: floxuridine +is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside +is_a: CHEBI:37143 ! organofluorine compound +is_a: CHEBI:60783 ! nucleoside analogue +relationship: has_role CHEBI:132992 ! radiosensitizing agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:36044 ! antiviral drug + +[Term] +id: CHEBI:60783 +name: nucleoside analogue +is_a: CHEBI:21731 ! N-glycosyl compound + +[Term] +id: CHEBI:60784 +name: 3'-UMP(2-) +is_a: CHEBI:66949 ! nucleoside 3'-phosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60798 +name: excitatory amino acid antagonist +is_a: CHEBI:48706 ! antagonist + +[Term] +id: CHEBI:60801 +name: guanyl deoxyribonucleotide residue +is_a: CHEBI:55367 ! deoxyribonucleotide residue + +[Term] +id: CHEBI:60807 +name: anaesthesia adjuvant +is_a: CHEBI:60809 ! adjuvant + +[Term] +id: CHEBI:60809 +name: adjuvant +is_a: CHEBI:52217 ! pharmaceutical + +[Term] +id: CHEBI:60815 +name: lysobisphosphatidic acid +is_a: CHEBI:32957 ! lysophosphatidic acids + +[Term] +id: CHEBI:60817 +name: 1,1'-lysobisphosphatidic acid +is_a: CHEBI:60815 ! lysobisphosphatidic acid + +[Term] +id: CHEBI:60818 +name: 2,2'-lysobisphosphatidic acid +is_a: CHEBI:60815 ! lysobisphosphatidic acid + +[Term] +id: CHEBI:60819 +name: diphenyl phthalate +is_a: CHEBI:35484 ! phthalate ester +is_a: CHEBI:51307 ! diester + +[Term] +id: CHEBI:60820 +name: 1-C-(indol-3-yl)glycerol 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60821 +name: streptothricin F +is_a: CHEBI:26789 ! streptothricin +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:60822 +name: streptothricin F(3+) +is_a: CHEBI:58001 ! primary aliphatic ammonium ion +is_a: CHEBI:60251 ! guanidinium ion +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:60823 +name: streptothricin F acid +is_a: CHEBI:60826 ! streptothricin acid + +[Term] +id: CHEBI:60826 +name: streptothricin acid +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:35931 ! delta-amino acid +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:60828 +name: streptothricin D +is_a: CHEBI:26789 ! streptothricin +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:60829 +name: streptothricin D(5+) +is_a: CHEBI:58001 ! primary aliphatic ammonium ion +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:60830 +name: streptothricin D acid +is_a: CHEBI:60826 ! streptothricin acid + +[Term] +id: CHEBI:60831 +name: epothilone +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:38418 ! 1,3-thiazoles +is_a: CHEBI:55380 ! beta-hydroxy ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:60832 +name: tubulin modulator +is_a: CHEBI:52210 ! pharmacological role + +[Term] +id: CHEBI:60833 +name: naptalam +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +is_a: CHEBI:88360 ! N-(1-naphthyl)carboxamide +relationship: has_role CHEBI:24527 ! herbicide + +[Term] +id: CHEBI:60835 +name: leucoanthocyanidin +is_a: CHEBI:72010 ! hydroxyflavan + +[Term] +id: CHEBI:60836 +name: phytochelatin +is_a: CHEBI:16670 ! peptide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:38161 ! chelator + +[Term] +id: CHEBI:60837 +name: 2',3'-cyclic GMP(1-) +is_a: CHEBI:66954 ! 2',3'-cyclic nucleotide(1-) + +[Term] +id: CHEBI:60838 +name: streptothricin F acid (pH 7.3) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58001 ! primary aliphatic ammonium ion +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:60839 +name: streptothricin D acid (pH 7.3) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58001 ! primary aliphatic ammonium ion +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:60841 +name: 2,3-dihydro-3-hydroxyanthranilic acid +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:60843 +name: (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid +is_a: CHEBI:60841 ! 2,3-dihydro-3-hydroxyanthranilic acid + +[Term] +id: CHEBI:60844 +name: (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid +is_a: CHEBI:60841 ! 2,3-dihydro-3-hydroxyanthranilic acid + +[Term] +id: CHEBI:60847 +name: 2,3-dihydro-3-hydroxyanthranilic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60848 +name: (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion +is_a: CHEBI:60847 ! 2,3-dihydro-3-hydroxyanthranilic acid zwitterion + +[Term] +id: CHEBI:60849 +name: (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion +is_a: CHEBI:60847 ! 2,3-dihydro-3-hydroxyanthranilic acid zwitterion + +[Term] +id: CHEBI:60854 +name: 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid +is_a: CHEBI:33706 ! beta-amino acid +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:60857 +name: (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid +is_a: CHEBI:60854 ! 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid + +[Term] +id: CHEBI:60858 +name: (1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid +is_a: CHEBI:60854 ! 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid + +[Term] +id: CHEBI:60860 +name: 6-ammonio-5-oxocyclohex-2-ene-1-carboxylate +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60862 +name: (1R,6S)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate +is_a: CHEBI:60860 ! 6-ammonio-5-oxocyclohex-2-ene-1-carboxylate + +[Term] +id: CHEBI:60863 +name: (1S,6R)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate +is_a: CHEBI:60860 ! 6-ammonio-5-oxocyclohex-2-ene-1-carboxylate + +[Term] +id: CHEBI:60869 +name: (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine +is_a: CHEBI:37773 ! organic phosphoramidate +is_a: CHEBI:48116 ! nucleotide-amino acid + +[Term] +id: CHEBI:60870 +name: aza fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion +is_a: CHEBI:61008 ! nitrogen-containing fatty acid anion + +[Term] +id: CHEBI:60873 +name: 2',3'-cyclic UMP(1-) +is_a: CHEBI:66954 ! 2',3'-cyclic nucleotide(1-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60874 +name: phenylacetylglycine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60875 +name: 3'-CMP(2-) +is_a: CHEBI:66949 ! nucleoside 3'-phosphate(2-) + +[Term] +id: CHEBI:60877 +name: 2',3'-cyclic CMP(1-) +is_a: CHEBI:66954 ! 2',3'-cyclic nucleotide(1-) + +[Term] +id: CHEBI:60878 +name: 3-geranyl-4-hydroxybenzoate(1-) +is_a: CHEBI:24675 ! hydroxybenzoate + +[Term] +id: CHEBI:60879 +name: 2',3'-cyclic AMP(1-) +is_a: CHEBI:66954 ! 2',3'-cyclic nucleotide(1-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:60880 +name: 3'-AMP(2-) +is_a: CHEBI:66949 ! nucleoside 3'-phosphate(2-) +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:60885 +name: (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:60886 +name: (2E)-2-hydroxypenta-2,4-dienoate +is_a: CHEBI:37319 ! 2-hydroxypenta-2,4-dienoate +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion + +[Term] +id: CHEBI:60887 +name: 3-hydroxy-D-aspartic acid +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:83979 ! D-aspartic acid derivative +is_a: CHEBI:83981 ! 3-hydroxyaspartic acid +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:60892 +name: polyamino carboxylic acid +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:60893 +name: (3S)-3-hydroxy-D-aspartic acid +is_a: CHEBI:60887 ! 3-hydroxy-D-aspartic acid + +[Term] +id: CHEBI:60894 +name: (3S)-3-hydroxy-D-aspartate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:60895 ! D-alpha-amino acid anion + +[Term] +id: CHEBI:60895 +name: D-alpha-amino acid anion +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:60897 +name: (3R)-3-hydroxy-D-aspartic acid +is_a: CHEBI:60887 ! 3-hydroxy-D-aspartic acid + +[Term] +id: CHEBI:60898 +name: (3R)-3-hydroxy-D-aspartate(1-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:60895 ! D-alpha-amino acid anion + +[Term] +id: CHEBI:60899 +name: ubiquinol-0 +is_a: CHEBI:17976 ! ubiquinol + +[Term] +id: CHEBI:60903 +name: N-(4-aminobenzoyl)-L-glutamate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:60904 +name: 4-hydroxy-L-threonine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:60907 +name: (S)-ethylmalonyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA + +[Term] +id: CHEBI:60908 +name: (2R)-2-hydroxy-2-methylbutanenitrile +is_a: CHEBI:60954 ! 2-hydroxy-2-methylbutanenitrile + +[Term] +id: CHEBI:60909 +name: (S)-ethylmalonyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:60911 +name: racemate +is_a: CHEBI:60004 ! mixture + +[Term] +id: CHEBI:60913 +name: ganglioside GT1b +is_a: CHEBI:28058 ! alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer + +[Term] +id: CHEBI:60924 +name: keratan sulfate +is_a: CHEBI:35722 ! sulfated glycosaminoglycan +is_a: CHEBI:37395 ! mucopolysaccharide + +[Term] +id: CHEBI:60926 +name: amino monosaccharide +is_a: CHEBI:28963 ! amino sugar + +[Term] +id: CHEBI:60929 +name: arbutin 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:60932 +name: (R)-carnitinyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:60933 +name: (E)-4-(trimethylammonio)but-2-enoyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:60935 +name: sinapate ester +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:60938 +name: glucuronoxylan +is_a: CHEBI:37166 ! xylan + +[Term] +id: CHEBI:60940 +name: D-mannosyl-D-glyceric acid +is_a: CHEBI:25169 ! mannoside +is_a: CHEBI:33720 ! carbohydrate acid + +[Term] +id: CHEBI:60941 +name: prenylcysteine +is_a: CHEBI:23509 ! cysteine derivative + +[Term] +id: CHEBI:60943 +name: 5-HETE +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:60951 +name: flavonoid phytoalexin +is_a: CHEBI:47916 ! flavonoid +relationship: has_role CHEBI:26115 ! phytoalexin + +[Term] +id: CHEBI:60952 +name: diterpene phytoalexin +is_a: CHEBI:23849 ! diterpenoid +relationship: has_role CHEBI:26115 ! phytoalexin + +[Term] +id: CHEBI:60954 +name: 2-hydroxy-2-methylbutanenitrile +is_a: CHEBI:23437 ! cyanohydrin + +[Term] +id: CHEBI:60955 +name: 9(S)-HPODE(1-) +is_a: CHEBI:131862 ! HPODE(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:60956 +name: colneleic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:61411 ! divinyl ether fatty acid + +[Term] +id: CHEBI:60957 +name: colneleate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:61413 ! oxa fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:60959 +name: colnelenic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:61411 ! divinyl ether fatty acid + +[Term] +id: CHEBI:60960 +name: colnelenate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:61413 ! oxa fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:60961 +name: (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid +is_a: CHEBI:63238 ! (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid + +[Term] +id: CHEBI:60962 +name: (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate +is_a: CHEBI:63239 ! (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate + +[Term] +id: CHEBI:60963 +name: colanic acid +is_a: CHEBI:65212 ! polysaccharide derivative +relationship: has_role CHEBI:59132 ! antigen + +[Term] +id: CHEBI:60968 +name: presilphiperfolan-8beta-ol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:51959 ! organic tricyclic compound + +[Term] +id: CHEBI:60971 +name: aminophospholipid +is_a: CHEBI:16247 ! phospholipid +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:60973 +name: suberin +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:26178 ! polyester macromolecule + +[Term] +id: CHEBI:60974 +name: cyanoamino acid +is_a: CHEBI:80291 ! aliphatic nitrile +is_a: CHEBI:83820 ! non-proteinogenic amino acid + +[Term] +id: CHEBI:60977 +name: phenylalkylamine +is_a: CHEBI:22644 ! arylalkylamine + +[Term] +id: CHEBI:60978 +name: ketogluconate +is_a: CHEBI:33804 ! gluconates + +[Term] +id: CHEBI:60979 +name: alpha-glucoside +is_a: CHEBI:24278 ! glucoside + +[Term] +id: CHEBI:60980 +name: beta-glucoside +is_a: CHEBI:24278 ! glucoside + +[Term] +id: CHEBI:60981 +name: UDP-rhamnose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:60982 +name: methyl galactoside +is_a: CHEBI:24163 ! galactoside +is_a: CHEBI:25302 ! methyl glycoside +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:609827 +name: L-canavanine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:22917 ! phytogenic insecticide +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:60983 +name: alkylphosphonate +is_a: CHEBI:37592 ! organic phosphonate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:6099 +name: kaempferide +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:52267 ! 7-hydroxyflavonol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35674 ! antihypertensive agent + +[Term] +id: CHEBI:60991 +name: 2-hydroxyethylphosphonic acid(1-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:60996 +name: (2R)-3-sulfopropanediol +is_a: CHEBI:77267 ! 3-sulfopropanediol + +[Term] +id: CHEBI:60997 +name: (2R)-3-sulfopropanediol(1-) +is_a: CHEBI:77138 ! 3-sulfopropanediol(1-) + +[Term] +id: CHEBI:61001 +name: 2-O-(6-phosphono-alpha-D-mannosyl)-D-glyceric acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:63436 ! carbohydrate acid derivative + +[Term] +id: CHEBI:61006 +name: mannosyl diphosphorylinositol ceramide +is_a: CHEBI:59466 ! phosphatidylinositol mannoside +is_a: CHEBI:60245 ! inositol phosphoceramide + +[Term] +id: CHEBI:61007 +name: amino fatty acid anion +is_a: CHEBI:37022 ! amino-acid anion +is_a: CHEBI:61008 ! nitrogen-containing fatty acid anion + +[Term] +id: CHEBI:61008 +name: nitrogen-containing fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:61011 +name: all-trans-decaprenyl diphosphate +is_a: CHEBI:53043 ! decaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate + +[Term] +id: CHEBI:61015 +name: nephrotoxin +is_a: CHEBI:64909 ! poison + +[Term] +id: CHEBI:61016 +name: angiotensin receptor antagonist +is_a: CHEBI:49020 ! hormone antagonist + +[Term] +id: CHEBI:61027 +name: (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid +is_a: CHEBI:52448 ! amino monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:61032 +name: 5,6,7,8-tetrahydropterin-6-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:61036 +name: 7-carboxylato-7-deazaguanine +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:6104 +name: kanamycin +is_a: CHEBI:24951 ! kanamycins +relationship: has_part CHEBI:17630 ! kanamycin A +relationship: has_part CHEBI:28098 ! kanamycin B +relationship: has_part CHEBI:28185 ! kanamycin C +relationship: has_part CHEBI:72797 ! kanamycin X +relationship: has_part CHEBI:73079 ! kanamycin D + +[Term] +id: CHEBI:61042 +name: 1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:137684 ! Papio hamadryas metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61048 +name: ganglioside GM1 +is_a: CHEBI:18216 ! alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +is_a: CHEBI:36543 ! sialotetraosylceramide + +[Term] +id: CHEBI:61049 +name: tacrolimus (anhydrous) +is_a: CHEBI:25106 ! macrolide +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:61050 +name: alkyl hydroperoxide +is_a: CHEBI:35924 ! peroxol + +[Term] +id: CHEBI:61051 +name: lipid hydroperoxide +is_a: CHEBI:35924 ! peroxol + +[Term] +id: CHEBI:61057 +name: tacrolimus hydrate +is_a: CHEBI:35505 ! hydrate +relationship: has_part CHEBI:61049 ! tacrolimus (anhydrous) +relationship: has_role CHEBI:35705 ! immunosuppressive agent + +[Term] +id: CHEBI:61073 +name: oxygen radical +is_a: CHEBI:26523 ! reactive oxygen species +is_a: CHEBI:36871 ! inorganic radical + +[Term] +id: CHEBI:61078 +name: purine nucleoside bisphosphate +is_a: CHEBI:26401 ! purines +is_a: CHEBI:37123 ! nucleoside bisphosphate + +[Term] +id: CHEBI:61079 +name: ribonucleoside bisphosphate +is_a: CHEBI:37123 ! nucleoside bisphosphate + +[Term] +id: CHEBI:61081 +name: bis(5'-nucleosidyl) oliogophosphate +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:61082 +name: lipid-linked peptidoglycan +is_a: CHEBI:8005 ! peptidoglycan + +[Term] +id: CHEBI:61085 +name: 3-sulfino-L-alanine(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61109 +name: pyrimidine nucleotide-sugar +is_a: CHEBI:25609 ! nucleotide-sugar + +[Term] +id: CHEBI:61111 +name: aminophosphonate +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:37592 ! organic phosphonate + +[Term] +id: CHEBI:61112 +name: methyl thiocyanate +is_a: CHEBI:26955 ! thiocyanates + +[Term] +id: CHEBI:61114 +name: N-(4-aminobenzoyl)-L-glutamic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:48975 ! substituted aniline + +[Term] +id: CHEBI:61115 +name: EC 3.5.1.98 (histone deacetylase) inhibitor +is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor + +[Term] +id: CHEBI:61119 +name: dTDP-rhamnose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:61120 +name: nucleobase-containing molecular entity +is_a: CHEBI:33833 ! heteroarene +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:61121 +name: oxylipin +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:61122 +name: 3-geranyl-4-hydroxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid + +[Term] +id: CHEBI:61123 +name: (E)-4-(trimethylammonio)but-2-enoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:61125 +name: 7-carboxy-7-deazaguanine +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38670 ! pyrrolopyrimidine + +[Term] +id: CHEBI:61129 +name: N-hydroxy-L-isoleucine +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid +is_a: CHEBI:61130 ! hydroxy-L-isoleucine + +[Term] +id: CHEBI:61130 +name: hydroxy-L-isoleucine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative + +[Term] +id: CHEBI:61131 +name: N-hydroxy-L-isoleucinate +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:61132 +name: N,N-dihydroxy-L-isoleucine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative + +[Term] +id: CHEBI:61133 +name: N,N-dihydroxy-L-isoleucinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:61134 +name: 2-methylbutanal oxime +is_a: CHEBI:82744 ! aliphatic aldoxime + +[Term] +id: CHEBI:61135 +name: (E)-2-methylbutanal oxime +is_a: CHEBI:61134 ! 2-methylbutanal oxime + +[Term] +id: CHEBI:61136 +name: (Z)-2-methylbutanal oxime +is_a: CHEBI:61134 ! 2-methylbutanal oxime + +[Term] +id: CHEBI:61138 +name: N-hydroxy-L-valine +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:50760 ! N-hydroxy-alpha-amino-acid +is_a: CHEBI:61139 ! hydroxy-L-valine + +[Term] +id: CHEBI:61139 +name: hydroxy-L-valine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:84129 ! L-valine derivative + +[Term] +id: CHEBI:61140 +name: N-hydroxy-L-valinate +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59258 ! N-hydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:61141 +name: N,N-dihydroxy-L-valine +is_a: CHEBI:50766 ! N,N-dihydroxy-alpha-amino acid +is_a: CHEBI:84129 ! L-valine derivative + +[Term] +id: CHEBI:61142 +name: N,N-dihydroxy-L-valinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59699 ! N,N-dihydroxy-alpha-amino-acid anion + +[Term] +id: CHEBI:61143 +name: (E)-2-methylpropanal oxime +is_a: CHEBI:17502 ! 2-methylpropanal oxime + +[Term] +id: CHEBI:61144 +name: (Z)-2-methylpropanal oxime +is_a: CHEBI:17502 ! 2-methylpropanal oxime + +[Term] +id: CHEBI:61146 +name: 4-nitrophenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61147 +name: ferroheme d1 +is_a: CHEBI:35742 ! tetracarboxylic acid +is_a: CHEBI:38573 ! ferroheme +is_a: CHEBI:46640 ! diketone +is_a: CHEBI:62804 ! metallochlorin + +[Term] +id: CHEBI:61148 +name: drimenol +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:61149 +name: 2,3-dihydro-3-oxoanthranilic acid +is_a: CHEBI:25754 ! oxo carboxylic acid +is_a: CHEBI:33709 ! amino acid + +[Term] +id: CHEBI:61150 +name: 2,3-dihydro-3-oxoanthranilate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:61151 +name: poly-ADP-D-ribose +is_a: CHEBI:33694 ! biomacromolecule +is_a: CHEBI:65212 ! polysaccharide derivative +relationship: has_part CHEBI:16960 ! ADP-D-ribose + +[Term] +id: CHEBI:61158 +name: 3''-hydroxy-geranylhydroquinone +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:61159 +name: conjugated linoleic acid +is_a: CHEBI:25627 ! octadecadienoic acid + +[Term] +id: CHEBI:61160 +name: conjugated linolenic acid +is_a: CHEBI:25633 ! octadecatrienoic acid + +[Term] +id: CHEBI:61162 +name: poly(3-hydroxycarboxylic acid) macromolecule +is_a: CHEBI:26178 ! polyester macromolecule +is_a: CHEBI:37997 ! homopolymer macromolecule + +[Term] +id: CHEBI:61163 +name: D-alanyl-(R)-lactic acid +is_a: CHEBI:23643 ! depsipeptide +is_a: CHEBI:61165 ! D-alanyl ester + +[Term] +id: CHEBI:61165 +name: D-alanyl ester +is_a: CHEBI:46874 ! alpha-amino acid ester +is_a: CHEBI:83944 ! D-alanine derivative + +[Term] +id: CHEBI:61166 +name: D-alanyl-(R)-lactic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:61185 +name: L-pipecolic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:61186 +name: 7,8-dihydromonapterin 3-triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61190 +name: beta-D-GalpNAc-(1->4)-D-GlcpNAc +is_a: CHEBI:22480 ! amino disaccharide +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:61191 +name: 7,8-dihydromonapterin 3-triphosphate +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:36942 ! pterin phosphate +is_a: CHEBI:38797 ! dihydropterin + +[Term] +id: CHEBI:61194 +name: 2'-deoxyinosine 5'-phosphate(2-) +is_a: CHEBI:142198 ! purine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61197 +name: phlobaphene +is_a: CHEBI:60004 ! mixture +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:61200 +name: 3-decenoic acid +is_a: CHEBI:36003 ! decenoic acid + +[Term] +id: CHEBI:61201 +name: beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:61204 +name: docosapentaenoic acid +is_a: CHEBI:132543 ! fatty acid 22:5 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:61205 +name: docosatetraenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:6121 +name: ketamine +is_a: CHEBI:23482 ! cyclohexanones +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:35480 ! analgesic +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:38877 ! intravenous anaesthetic +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:60643 ! NMDA receptor antagonist +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:61211 +name: beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:61216 +name: ditrans,polycis-undecaprenol +is_a: CHEBI:27191 ! undecaprenols + +[Term] +id: CHEBI:61227 +name: beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61230 +name: beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61231 +name: L-seryl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61232 +name: N-acylphosphatidylethanolamine +is_a: CHEBI:16038 ! phosphatidylethanolamine +is_a: CHEBI:29347 ! monocarboxylic acid amide + +[Term] +id: CHEBI:61233 +name: spermidine hydroxycinnamic acid conjugate +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:61240 +name: beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:61243 +name: beta-D-Galp-(1->3)-beta-D-GalpNAc +is_a: CHEBI:546807 ! beta-D-Galp-(1->3)-D-GalpNAc +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:61246 +name: beta-D-Galp-(1->3)-beta-D-GlcpNAc +is_a: CHEBI:27707 ! beta-D-Galp-(1->3)-D-GlcpNAc +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:61247 +name: beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61249 +name: hesperetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:61251 +name: alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:61252 +name: alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61253 +name: alpha-D-glucosyl ditrans,polycis-undecaprenyl diphosphate +is_a: CHEBI:17223 ! polyprenyl glucosyl phosphate + +[Term] +id: CHEBI:61254 +name: alpha-D-glucosyl ditrans,polycis-undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61264 +name: pectic arabinan +is_a: CHEBI:59595 ! arabinofuranosyl group + +[Term] +id: CHEBI:61265 +name: (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate residue +is_a: CHEBI:55367 ! deoxyribonucleotide residue + +[Term] +id: CHEBI:61266 +name: hemicellulose +is_a: CHEBI:18154 ! polysaccharide + +[Term] +id: CHEBI:61267 +name: 5-nitroanthranilate +is_a: CHEBI:16567 ! anthranilate + +[Term] +id: CHEBI:61268 +name: 5-nitrosalicylate +is_a: CHEBI:25388 ! monohydroxybenzoate +is_a: CHEBI:30762 ! salicylate + +[Term] +id: CHEBI:61269 +name: scopolamine(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:61278 +name: scutellarin +is_a: CHEBI:24302 ! glucosiduronic acid +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:52726 ! proteasome inhibitor + +[Term] +id: CHEBI:61280 +name: 5-nitroanthranilic acid +is_a: CHEBI:22495 ! aminobenzoic acid + +[Term] +id: CHEBI:61281 +name: 5-nitrosalicylic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:88306 ! 4-nitrophenols + +[Term] +id: CHEBI:61282 +name: wogonin 7-O-beta-D-glucuronide +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38687 ! monohydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:61283 +name: baicalin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:61284 +name: scutellarin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:61285 +name: wogonin 7-O-beta-D-glucuronate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:61286 +name: dolichol-linked oligosaccharide +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:61287 +name: (S)-2-O-sulfonatolactate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:61289 +name: (S)-3-sulfonatolactate(2-) +is_a: CHEBI:58683 ! 3-sulfonatolactate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61291 +name: (R)-4-phosphopantoic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate + +[Term] +id: CHEBI:61292 +name: guanyl nucleotide +is_a: CHEBI:26395 ! purine nucleotide + +[Term] +id: CHEBI:61293 +name: adenyl nucleotide +is_a: CHEBI:26395 ! purine nucleotide + +[Term] +id: CHEBI:61294 +name: (R)-4-phosphonatopantoate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61295 +name: guanyl ribonucleotide +is_a: CHEBI:26400 ! purine ribonucleotide +is_a: CHEBI:61292 ! guanyl nucleotide + +[Term] +id: CHEBI:61296 +name: adenyl ribonucleotide +is_a: CHEBI:26400 ! purine ribonucleotide +is_a: CHEBI:61293 ! adenyl nucleotide + +[Term] +id: CHEBI:61297 +name: adenyl deoxyribonucleotide +is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide +is_a: CHEBI:61293 ! adenyl nucleotide + +[Term] +id: CHEBI:61298 +name: D-glucose- and/or D-galactose-substituted mannan +is_a: CHEBI:16966 ! heteroglycan + +[Term] +id: CHEBI:61301 +name: germacra-1(10),4,11(13)-trien-12-oate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:61302 +name: cerebronic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid + +[Term] +id: CHEBI:61304 +name: phosphoglycerate +is_a: CHEBI:24347 ! glycerates +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61305 +name: germacra-1(10),4,11(13)-trien-12-oic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:68588 ! germacrane sesquiterpenoid + +[Term] +id: CHEBI:61307 +name: solavetivol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:33599 ! spiro compound +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:61310 +name: chromium ion +is_a: CHEBI:23237 ! chromium molecular entity +is_a: CHEBI:36914 ! inorganic ion + +[Term] +id: CHEBI:61312 +name: 5-hydroxypseudobaptigenin +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:55465 ! 7-hydroxyisoflavones + +[Term] +id: CHEBI:61313 +name: C21-steroid +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:61314 +name: XTP(4-) +is_a: CHEBI:61557 ! nucleoside triphosphate(4-) + +[Term] +id: CHEBI:61316 +name: (3Z)-hex-3-en-1-yl acetate +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:61317 +name: cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:61318 +name: cyanidin 3-O-beta-D-glucoside betaine +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:51978 ! oxonium betaine + +[Term] +id: CHEBI:61323 +name: pratensein(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:61330 +name: icosapentaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:61336 +name: C4-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:61338 +name: bacillithiol +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:61339 +name: 5-hydroxypseudobaptigenin(1-) +is_a: CHEBI:50525 ! phenolate anion + +[Term] +id: CHEBI:61344 +name: (S)-beta-macrocarpene +is_a: CHEBI:33663 ! cyclic hydrocarbon +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:61345 +name: chrysobactin +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:26672 ! siderophore +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:61346 +name: achromobactin +is_a: CHEBI:35754 ! tetracarboxylic acid anion +relationship: has_role CHEBI:26672 ! siderophore + +[Term] +id: CHEBI:61355 +name: 3-hydroxy carboxylic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid + +[Term] +id: CHEBI:61360 +name: globoside +is_a: CHEBI:24402 ! glycosphingolipid + +[Term] +id: CHEBI:61362 +name: cyclitol ether +is_a: CHEBI:25698 ! ether + +[Term] +id: CHEBI:61366 +name: 2-tetradecenoic acid +is_a: CHEBI:36004 ! tetradecenoic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:61375 +name: ferric-vibriobactin +is_a: CHEBI:84734 ! Fe(III)-complexed siderophore + +[Term] +id: CHEBI:61377 +name: TDP +is_a: CHEBI:37039 ! pyrimidine ribonucleoside 5'-diphosphate + +[Term] +id: CHEBI:61378 +name: 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61380 +name: acetylenic fatty acid anion +is_a: CHEBI:2580 ! unsaturated fatty acid anion + +[Term] +id: CHEBI:61381 +name: D-mannitol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61382 +name: dITP(4-) +is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61383 +name: dTDP-4-acetamido-4,6-dideoxy-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:61384 +name: sulfolipid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:25704 ! organic sulfate + +[Term] +id: CHEBI:61385 +name: UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine(1-) +is_a: CHEBI:58510 ! UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine(1-) + +[Term] +id: CHEBI:61386 +name: UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alaninate(4-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:61387 +name: undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine(4-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:61388 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine(4-) +is_a: CHEBI:59635 ! organophosphonate oxoanion + +[Term] +id: CHEBI:61392 +name: fructoselysine 6-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:61393 +name: fructosyllysine(1+) +is_a: CHEBI:33703 ! amino-acid cation + +[Term] +id: CHEBI:61395 +name: L-alanyl-D-glutamate(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:61396 +name: L-alanyl-L-glutamate(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:61401 +name: L-alanyl-gamma-D-glutamyl-meso-diaminopimelate(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:61402 +name: ITP(4-) +is_a: CHEBI:61557 ! nucleoside triphosphate(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:61403 +name: psicosyllysine(1+) +is_a: CHEBI:33703 ! amino-acid cation + +[Term] +id: CHEBI:61404 +name: dATP(4-) +is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61405 +name: trans-tetradec-2-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:85097 ! 4-saturated trans-2-enoyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61406 +name: trans-dec-2-enoyl-CoA(4-) +is_a: CHEBI:85100 ! 4,5-saturated-trans-2-enoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61409 +name: dihydroxyphenylacetic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:61410 +name: oxa fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:61411 +name: divinyl ether fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:61410 ! oxa fatty acid + +[Term] +id: CHEBI:61413 +name: oxa fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:61414 +name: ferrichromes +is_a: CHEBI:24613 ! homodetic cyclic peptide +is_a: CHEBI:84688 ! Fe(III)-complexed hydroxamate siderophore + +[Term] +id: CHEBI:61417 +name: TDP(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61425 +name: psicosyllysine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:61429 +name: dGTP(4-) +is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) + +[Term] +id: CHEBI:61430 +name: decanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61437 +name: fructoselysine 6-phosphate +is_a: CHEBI:22529 ! amino sugar phosphate +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:61440 +name: UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine +is_a: CHEBI:27392 ! UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine + +[Term] +id: CHEBI:61442 +name: tetrahydrofolyl-poly(glutamate) polymer +is_a: CHEBI:60164 ! ionic polymer +relationship: has_part CHEBI:58580 ! tetrahydrofolyl-poly(glutamate) macromolecule + +[Term] +id: CHEBI:61444 +name: gamma-poly(glutamate) polymer +is_a: CHEBI:60164 ! ionic polymer +is_a: CHEBI:61445 ! poly(amide) polymer +relationship: has_part CHEBI:53376 ! gamma-poly(glutamate) macromolecule + +[Term] +id: CHEBI:61445 +name: poly(amide) polymer +is_a: CHEBI:60027 ! polymer +relationship: has_part CHEBI:53224 ! poly(amide) macromolecule + +[Term] +id: CHEBI:61449 +name: (2E,4Z)-2-hydroxy-6-oxonona-2,4-dienedioate(2-) +is_a: CHEBI:19615 ! 2-hydroxy-6-oxonona-2,4-dienedioate + +[Term] +id: CHEBI:61450 +name: (2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2-) +is_a: CHEBI:58637 ! 2-hydroxy-6-oxonona-2,4,7-trienedioate + +[Term] +id: CHEBI:61451 +name: (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate +is_a: CHEBI:60108 ! 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate + +[Term] +id: CHEBI:61452 +name: poly(ethylene terephthalate) polymer +is_a: CHEBI:60160 ! polyester polymer +relationship: has_part CHEBI:53259 ! poly(ethylene terephthalate) macromolecule + +[Term] +id: CHEBI:61454 +name: GDP-beta-L-galactose(2-) +is_a: CHEBI:58355 ! GDP-L-galactose(2-) + +[Term] +id: CHEBI:61455 +name: UDP-beta-L-arabinopyranose +is_a: CHEBI:17983 ! UDP-L-arabinose + +[Term] +id: CHEBI:61457 +name: UDP-beta-L-arabinopyranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:61460 +name: UDP-beta-L-arabinofuranose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:61462 +name: (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid +is_a: CHEBI:49071 ! 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid + +[Term] +id: CHEBI:61463 +name: UDP-beta-L-arabinofuranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:61467 +name: (2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioic acid +is_a: CHEBI:31082 ! 2-hydroxy-6-oxonona-2,4,7-trienedioic acid + +[Term] +id: CHEBI:61469 +name: polyanionic polymer +is_a: CHEBI:60164 ! ionic polymer +relationship: has_part CHEBI:53309 ! polyanionic macromolecule + +[Term] +id: CHEBI:61470 +name: (2E,4Z)-2-hydroxy-6-oxonona-2,4-dienedioic acid +is_a: CHEBI:17367 ! 2-hydroxy-6-oxonona-2,4-dienedioic acid + +[Term] +id: CHEBI:61472 +name: all-trans-6-methoxy-2-hexaprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:84166 ! 2-methoxy-6-all-trans-polyprenylhydroquinone + +[Term] +id: CHEBI:61473 +name: all-trans-5-methoxy-2-methyl-3-hexaprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:84167 ! 2-methoxy-3-methyl-6-all-trans-polyprenylhydroquinone + +[Term] +id: CHEBI:61478 +name: germacrene C +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36743 ! germacrene + +[Term] +id: CHEBI:61481 +name: dCTP(4-) +is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) + +[Term] +id: CHEBI:61494 +name: UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetylglucosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:61495 +name: beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:61496 +name: alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:61498 +name: epoxy fatty acid +is_a: CHEBI:23931 ! epoxy monocarboxylic acid +is_a: CHEBI:48847 ! heterocyclic fatty acid + +[Term] +id: CHEBI:615 +name: 1-carbapenem-3-carboxylic acid +is_a: CHEBI:46634 ! carbapenemcarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:61502 +name: heptosyl-(KDO)2-lipid A(6-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61505 +name: cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation + +[Term] +id: CHEBI:61506 +name: ADP-L-glycero-beta-D-manno-heptose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:61507 +name: (heptosyl)2-(KDO)2-lipid A(6-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61508 +name: gamma-glutamyl-gamma-aminobutyraldehyde zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:61509 +name: N-acetyl-L-2-aminoadipate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:6151 +name: (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic acid +is_a: CHEBI:27391 ! 1-pyrroline-3-hydroxy-5-carboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61510 +name: N-acetyl-L-2-aminoadipate 6-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:61511 +name: N-acetyl-L-2-aminoadipate semialdehyde +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:61512 +name: N(2)-acetyl-L-lysine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61513 +name: gamma-butyrobetainyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:61515 +name: N-acetyl-L-2-aminoadipic acid semialdehyde +is_a: CHEBI:21545 ! N-acetyl-L-amino acid + +[Term] +id: CHEBI:61517 +name: gamma-butyrobetainyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:61519 +name: D-psicose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61520 +name: (KDO)2-(palmitoleoyl)-lipid IVA(6-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61521 +name: gamma-glutamyl-gamma-aminobutyraldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24317 ! L-glutamine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:61522 +name: (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61523 +name: (heptosyl)2-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:61524 +name: (KDO)2-(lauroyl)-lipid IVA(6-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61526 +name: (E)-hexadec-2-enoyl-CoA(4-) +is_a: CHEBI:139572 ! hexadecenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61527 +name: D-fructofuranose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:61528 +name: heptosyl-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:61529 +name: alpha-L-Fucp-(1->2)-beta-D-Galp +is_a: CHEBI:62857 ! alpha-L-Fucp-(1->2)-D-Galp +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:61530 +name: ADP-L-glycero-beta-D-manno-heptose +is_a: CHEBI:15915 ! ADP-L-glycero-D-manno-heptose + +[Term] +id: CHEBI:61533 +name: alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:61537 +name: UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:61540 +name: palmitoleoyl-CoA(4-) +is_a: CHEBI:139572 ! hexadecenoyl-CoA(4-) +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61543 +name: undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide + +[Term] +id: CHEBI:61548 +name: D-glucopyranose 6-phosphate(2-) +is_a: CHEBI:61567 ! D-hexopyranose 6-phosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61553 +name: D-fructofuranose 6-phosphate +is_a: CHEBI:78697 ! D-fructose 6-phosphate + +[Term] +id: CHEBI:61555 +name: dUTP(4-) +is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) + +[Term] +id: CHEBI:61556 +name: (KDO)2-(palmitoleoyl-myristoyl)-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:61557 +name: nucleoside triphosphate(4-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:61558 +name: (KDO)2-(palmitoleoyl)-lipid IVA +is_a: CHEBI:25051 ! lipid As + +[Term] +id: CHEBI:61559 +name: D-psicose 6-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate + +[Term] +id: CHEBI:61560 +name: 2'-deoxyribonucleoside 5'-triphosphate(4-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:61561 +name: beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:61562 +name: dTDP-4-acetamido-4,6-dideoxy-D-galactose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:61563 +name: farnesyl triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61564 +name: L-alanyl-gamma-D-glutamyl-meso-diaminopimelic acid +is_a: CHEBI:47923 ! tripeptide + +[Term] +id: CHEBI:61567 +name: D-hexopyranose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61572 +name: digalactosylglycerol +is_a: CHEBI:24406 ! glycosylglycerol + +[Term] +id: CHEBI:61574 +name: D-glycero-alpha-D-manno-heptose 1-phosphate(2-) +is_a: CHEBI:60002 ! D-glycero-D-manno-heptose 1-phosphate(2-) + +[Term] +id: CHEBI:61575 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:36542 ! sialopentaosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:61586 +name: S-(hydroxymethyl)mycothiol +is_a: CHEBI:37449 ! 2-deoxy-alpha-D-glucoside + +[Term] +id: CHEBI:61589 +name: 4-phospho-(KDO)-lipid IVA(7-) +is_a: CHEBI:60373 ! lipid IVA oxoanion + +[Term] +id: CHEBI:61593 +name: D-glycero-beta-D-manno-heptose 1-phosphate(2-) +is_a: CHEBI:60002 ! D-glycero-D-manno-heptose 1-phosphate(2-) + +[Term] +id: CHEBI:61599 +name: [8)-alpha-Neu5Ac-(2->]n +is_a: CHEBI:22483 ! amino oligosaccharide + +[Term] +id: CHEBI:61610 +name: beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:90357 ! beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:61623 +name: fluoroacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:61631 +name: N-acetyl-beta-D-glucosaminide +is_a: CHEBI:28401 ! N-acetyl-D-glucosaminide + +[Term] +id: CHEBI:61645 +name: L-seryl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:616459 +name: carbamimidoylazanium +is_a: CHEBI:35359 ! carboxamidine + +[Term] +id: CHEBI:61646 +name: fluoroacetyl-CoA +is_a: CHEBI:62048 ! haloacyl-CoA + +[Term] +id: CHEBI:61655 +name: steroid saponin +is_a: CHEBI:26605 ! saponin +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:61660 +name: organic sulfamate oxoanion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:33482 ! sulfur oxoanion + +[Term] +id: CHEBI:61661 +name: dTDP-4-acetamido-4,6-dideoxy-D-galactose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:61662 +name: 2'-deoxyribonucleoside triphosphate oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61663 +name: alpha-D-Manp-(1->3)-alpha-D-Manp +is_a: CHEBI:35318 ! glycosylmannose + +[Term] +id: CHEBI:61664 +name: 3-O-(6-O-alpha-D-xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose +is_a: CHEBI:27349 ! xylose phosphate + +[Term] +id: CHEBI:61665 +name: 3-O-(6-O-alpha-D-xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61666 +name: amidobenzoate +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:61667 +name: D-hexopyranose 6-phosphate +is_a: CHEBI:4195 ! D-hexose 6-phosphate + +[Term] +id: CHEBI:61668 +name: oroxylin A +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38686 ! dihydroxyflavone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor + +[Term] +id: CHEBI:61669 +name: 2-methylbutanenitrile +is_a: CHEBI:80291 ! aliphatic nitrile + +[Term] +id: CHEBI:61670 +name: oroxylin A 7-O-beta-D-glucuronide +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38687 ! monohydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:61672 +name: dihydrocarvones +is_a: CHEBI:23048 ! carvones + +[Term] +id: CHEBI:61674 +name: oroxylin A 7-O-beta-D-glucuronate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:61677 +name: (+)-alpha-santalene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35990 ! bridged compound + +[Term] +id: CHEBI:61678 +name: (+)-endo-beta-bergamotene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35990 ! bridged compound +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:61679 +name: (-)-endo-alpha-bergamotene +is_a: CHEBI:62755 ! alpha-bergamotene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:61680 +name: (1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon + +[Term] +id: CHEBI:61682 +name: ubiquinol-8 +is_a: CHEBI:17976 ! ubiquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:61683 +name: ubiquinone-8 +is_a: CHEBI:16389 ! ubiquinones +relationship: has_role CHEBI:59163 ! biomarker + +[Term] +id: CHEBI:61684 +name: menaquinol-8 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor + +[Term] +id: CHEBI:61685 +name: (+)-cubenene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:61686 +name: (+)-epicubenol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:61687 +name: cis-muurola-3,5-diene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:61688 +name: cis-muurola-4(14),5-diene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:61689 +name: amino cyclitol +is_a: CHEBI:23451 ! cyclitol + +[Term] +id: CHEBI:61690 +name: (+)-alpha-barbatene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:61693 +name: carboxyalkyl phosphate oxoanion +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:61694 +name: L-cysteinylglycine zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61695 +name: L-prolylglycine +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:61696 +name: L-prolinylglycine zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion + +[Term] +id: CHEBI:61697 +name: fatty acid derivative +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:61698 +name: L-ascorbate 6-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:616988 +name: mannose 6-phosphate +is_a: CHEBI:21060 ! mannose phosphate + +[Term] +id: CHEBI:61699 +name: (-)-alpha-gurjunene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:61700 +name: (+)-valencene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:61701 +name: L-ascorbic acid 6-phosphate +is_a: CHEBI:37429 ! aldonolactone phosphate + +[Term] +id: CHEBI:61702 +name: dinoflagellate luciferin +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:36736 ! bilenes +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:25078 ! luciferin + +[Term] +id: CHEBI:61703 +name: nonclassic icosanoid +is_a: CHEBI:23899 ! icosanoid + +[Term] +id: CHEBI:61704 +name: oxoicosatetraenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:59644 ! oxo fatty acid + +[Term] +id: CHEBI:61705 +name: 3-demethylubiquinol-8 +is_a: CHEBI:84422 ! 3-demethylubiquinol + +[Term] +id: CHEBI:61706 +name: dinoflagellate luciferin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:61707 +name: oxidized dinoflagellate luciferin +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:36736 ! bilenes +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:25747 ! oxidized luciferins + +[Term] +id: CHEBI:61708 +name: oxidized dinoflagellate luciferin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:61717 +name: ferroheme c(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:61720 +name: bacteriochlorophyll a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:61721 +name: chlorophyll b(1-) +is_a: CHEBI:139291 ! chlorophyll(1-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:61723 +name: D-pantetheine 4'-phosphate(2-) +is_a: CHEBI:47942 ! pantetheine 4'-phosphate(2-) +relationship: has_role CHEBI:26348 ! prosthetic group + +[Term] +id: CHEBI:61725 +name: oct-2-enal +is_a: CHEBI:13757 ! n-alk-2-enal +is_a: CHEBI:61870 ! monounsaturated fatty aldehyde + +[Term] +id: CHEBI:61727 +name: dec-2-enal +is_a: CHEBI:134219 ! decenals +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:61732 +name: beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer +is_a: CHEBI:36541 ! sialotriaosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:61734 +name: lipid IIA(3-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61735 +name: lipid IIA +is_a: CHEBI:25051 ! lipid As + +[Term] +id: CHEBI:61736 +name: thujopsene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:61737 +name: (+)-thujopsene +is_a: CHEBI:61736 ! thujopsene + +[Term] +id: CHEBI:61744 +name: beta-chamigrene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:61746 +name: (+)-beta-chamigrene +is_a: CHEBI:61744 ! beta-chamigrene + +[Term] +id: CHEBI:61748 +name: (E)-oct-2-enal +is_a: CHEBI:61725 ! oct-2-enal +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:61760 +name: D-mannosyl ditrans,polycis-undecaprenyl phosphate +is_a: CHEBI:21060 ! mannose phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:61761 +name: D-mannosyl ditrans,polycis-undecaprenyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61777 +name: terpene glycoside +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:26873 ! terpenoid + +[Term] +id: CHEBI:61778 +name: triterpenoid saponin +is_a: CHEBI:26605 ! saponin +is_a: CHEBI:61777 ! terpene glycoside + +[Term] +id: CHEBI:6178 +name: L-arabinofuranose +is_a: CHEBI:30849 ! L-arabinose + +[Term] +id: CHEBI:61796 +name: dinoflagellate luciferin(1-) +is_a: CHEBI:59252 ! linear tetrapyrrole anion + +[Term] +id: CHEBI:61799 +name: beta-D-galactopyranosyl diglyceride +is_a: CHEBI:24145 ! galactoglycerolipid +is_a: CHEBI:63425 ! galactosylglycerol derivative + +[Term] +id: CHEBI:61817 +name: 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:61820 +name: beta-D-Gal-(1->3-)-alpha-D-GalNAc +is_a: CHEBI:546807 ! beta-D-Galp-(1->3)-D-GalpNAc + +[Term] +id: CHEBI:61822 +name: 2-O-glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:61870 +name: monounsaturated fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde + +[Term] +id: CHEBI:61873 +name: 2-demethylmenaquinol-8 +is_a: CHEBI:55437 ! 2-demethylmenaquinol + +[Term] +id: CHEBI:61887 +name: N-acetylglycinate +is_a: CHEBI:57670 ! N-acylglycinate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:61891 +name: N(5)-methyl-L-glutamine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61896 +name: N(omega),N(omega)-dimethyl-L-arginine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61897 +name: N(omega),N(omega)-dimethyl-L-arginine(1+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:61898 +name: alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61900 +name: alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61901 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61902 +name: hydroxy fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:61903 +name: oxo-fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA + +[Term] +id: CHEBI:61904 +name: isethionate +is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate + +[Term] +id: CHEBI:61905 +name: short-chain fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA + +[Term] +id: CHEBI:61906 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61907 +name: medium-chain fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA + +[Term] +id: CHEBI:61908 +name: EC 1.14.13.39 (nitric oxide synthase) inhibitor +is_a: CHEBI:76841 ! EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor + +[Term] +id: CHEBI:61909 +name: ethanesulfonate +is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate + +[Term] +id: CHEBI:61910 +name: very long-chain fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA + +[Term] +id: CHEBI:61911 +name: butane-1-sulfonate +is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate + +[Term] +id: CHEBI:61912 +name: branched-chain fatty acyl-CoA +is_a: CHEBI:37554 ! fatty acyl-CoA + +[Term] +id: CHEBI:61915 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61919 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61921 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61925 +name: alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61927 +name: alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61928 +name: N(6)-methyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61929 +name: N(6)-methyl-L-lysinium residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:61930 +name: N(6)-acetyl-L-lysine residue +is_a: CHEBI:137967 ! N(6)-acyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61931 +name: glycerol 1-phosphoserine(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61932 +name: alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) +is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide + +[Term] +id: CHEBI:61933 +name: glycerophosphoglycerol(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61935 +name: alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61936 +name: gamma-carboxy-L-glutamic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:61937 +name: alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61938 +name: gamma-carboxy-L-glutamic acid zwitterion(2-) +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:36300 ! tricarboxylic acid dianion + +[Term] +id: CHEBI:61939 +name: gamma-carboxy-L-glutamic acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61940 +name: aroyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:61941 +name: gamma-carboxy-L-glutamic acid(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:61942 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61943 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61944 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61945 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61946 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61947 +name: alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61948 +name: alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61949 +name: alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) +is_a: CHEBI:57570 ! dolichyl diphosphooligosaccharide(2-) + +[Term] +id: CHEBI:61950 +name: microtubule-stabilising agent +is_a: CHEBI:60832 ! tubulin modulator + +[Term] +id: CHEBI:61951 +name: microtubule-destabilising agent +is_a: CHEBI:60832 ! tubulin modulator +is_a: CHEBI:64911 ! antimitotic + +[Term] +id: CHEBI:61952 +name: alpha-maltopentaose +is_a: CHEBI:61996 ! maltopentaose pentasaccharide + +[Term] +id: CHEBI:61953 +name: alpha-maltohexaose +is_a: CHEBI:62007 ! maltohexaose hexasaccharide + +[Term] +id: CHEBI:61954 +name: alpha-maltoheptaose +is_a: CHEBI:62009 ! maltoheptaose heptasaccharide + +[Term] +id: CHEBI:61958 +name: butane-1-sulfonic acid +is_a: CHEBI:47901 ! alkanesulfonic acid + +[Term] +id: CHEBI:61961 +name: N(6),N(6),N(6)-trimethyl-L-lysine residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:61962 +name: S-oxy-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61963 +name: 3-disulfanyl-L-alanine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61964 +name: L-cysteine-S-dioxide residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61965 +name: trans-4-hydroxy-L-proline residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61966 +name: metabotropic glutamate receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:61967 +name: 3-sulfino-L-alanine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61968 +name: cis-tetradec-3-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:85489 ! cis-3-enoyl-CoA(4-) + +[Term] +id: CHEBI:61969 +name: N(6),N(6)-dimethyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61970 +name: N-acetyl-alpha-D-galactosamine 1-phosphate(2-) +is_a: CHEBI:140358 ! monosaccharide 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61971 +name: O-phospho-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61972 +name: O(4)-phospho-L-tyrosine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61973 +name: S-hydroxy-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:61974 +name: 3-sulfino-L-alanine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:61976 +name: N(6),N(6)-dimethyl-L-lysine(1+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:61977 +name: O-phosphonato-L-threonine(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:61978 +name: O(4)-phosphonato-L-tyrosine(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:6198 +name: (S)-azetidine-2-carboxylic acid +is_a: CHEBI:38108 ! azetidine-2-carboxylic acid + +[Term] +id: CHEBI:61982 +name: (E)-2-methylgeranyl diphosphate +is_a: CHEBI:46731 ! alkyl diphosphate + +[Term] +id: CHEBI:61983 +name: L-Ala-gamma-D-Glu-meso-Dap-D-Ala(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:61984 +name: (E)-2-methylgeranyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:61985 +name: 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:61986 +name: maltotetraose tetrasaccharide +is_a: CHEBI:17593 ! maltooligosaccharide +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:61987 +name: 2-methylisoborneol +is_a: CHEBI:22912 ! bornane monoterpenoid +is_a: CHEBI:35990 ! bridged compound + +[Term] +id: CHEBI:61988 +name: alpha-maltotetraose +is_a: CHEBI:61986 ! maltotetraose tetrasaccharide + +[Term] +id: CHEBI:61990 +name: 15,9'-di-cis-phytofluene +is_a: CHEBI:26120 ! phytofluene + +[Term] +id: CHEBI:61991 +name: maltotriose trisaccharide +is_a: CHEBI:17593 ! maltooligosaccharide +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:61992 +name: sulfoacetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:61993 +name: maltotriose +is_a: CHEBI:61991 ! maltotriose trisaccharide + +[Term] +id: CHEBI:61994 +name: sulfoacetyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:61996 +name: maltopentaose pentasaccharide +is_a: CHEBI:17593 ! maltooligosaccharide +is_a: CHEBI:35369 ! pentasaccharide + +[Term] +id: CHEBI:61997 +name: glucosyl-(heptosyl)2-(KDO)2-lipid A(6-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61998 +name: glucosyl-heptosyl-4-phosphonatoheptosyl-(KDO)2-lipid A(8-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:61999 +name: glucosyl-(heptosyl)2-4-phosphonatoheptosyl-(KDO)2-lipid A(8-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:62000 +name: glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:62001 +name: galactosyl-glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:62002 +name: galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:62003 +name: galactosyl-(glucosyl)3-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:62004 +name: lipid A-core(10-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:62006 +name: maltopentaose +is_a: CHEBI:61996 ! maltopentaose pentasaccharide + +[Term] +id: CHEBI:62007 +name: maltohexaose hexasaccharide +is_a: CHEBI:17593 ! maltooligosaccharide +is_a: CHEBI:35368 ! hexasaccharide + +[Term] +id: CHEBI:62009 +name: maltoheptaose heptasaccharide +is_a: CHEBI:17593 ! maltooligosaccharide +is_a: CHEBI:53463 ! heptasaccharide + +[Term] +id: CHEBI:62010 +name: maltoheptaose +is_a: CHEBI:62009 ! maltoheptaose heptasaccharide + +[Term] +id: CHEBI:62011 +name: 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal +is_a: CHEBI:26407 ! pyrans +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:38131 ! lactol + +[Term] +id: CHEBI:62012 +name: 5-deoxy-D-ribose +is_a: CHEBI:23635 ! deoxypentose + +[Term] +id: CHEBI:62013 +name: glycerol 1-phosphoserine +is_a: CHEBI:55491 ! glycerol 1-phosphodiester +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative + +[Term] +id: CHEBI:62014 +name: cis-tetradec-3-enoyl-CoA +is_a: CHEBI:26900 ! tetradecenoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA + +[Term] +id: CHEBI:62015 +name: L-Ala-gamma-D-Glu-meso-Dap-D-Ala +is_a: CHEBI:48030 ! tetrapeptide + +[Term] +id: CHEBI:62016 +name: glucosyl-(heptosyl)2-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:62017 +name: glucosyl-heptosyl-4-phosphoheptosyl-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:62031 +name: polar amino acid zwitterion +is_a: CHEBI:26167 ! polar amino acid +is_a: CHEBI:35238 ! amino acid zwitterion +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:62037 +name: beta-D-Manp-(1->2)-D-Manp +is_a: CHEBI:35318 ! glycosylmannose + +[Term] +id: CHEBI:62041 +name: P(1),P(5)-bis(5'-adenosyl) pentaphosphate(5-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62046 +name: biotinate sulfoxide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62047 +name: (S)-carnitinyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:62048 +name: haloacyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:62049 +name: acyl donor +is_a: CHEBI:17891 ! donor + +[Term] +id: CHEBI:62055 +name: deoxy oligosaccharide +is_a: CHEBI:23639 ! deoxy sugar +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:62064 +name: butane-2,3-diol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:52684 ! butanediol + +[Term] +id: CHEBI:62065 +name: chondroitin 6'-sulfate anion +is_a: CHEBI:62196 ! polysaccharide acid oxoanion + +[Term] +id: CHEBI:62069 +name: phaseic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62070 +name: nalidixic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62071 +name: 2-cis-abscisate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62432 ! abscisates + +[Term] +id: CHEBI:62072 +name: naptalamate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62074 +name: 3-chloroacrylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62075 +name: (S)-3-hydroxyhexanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:62077 +name: trans-hex-2-enoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62081 +name: 1,1-diunsubstituted alkanesulfonate +is_a: CHEBI:134249 ! alkanesulfonate oxoanion +is_a: CHEBI:33554 ! organosulfonate oxoanion +relationship: has_role CHEBI:35703 ! xenobiotic + +[Term] +id: CHEBI:62089 +name: EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor +is_a: CHEBI:76730 ! EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor + +[Term] +id: CHEBI:62090 +name: germacra-1(10),4,11(13)-trien-12-ol +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:62091 +name: germacra-1(10),4,11(13)-trien-12-al +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:62111 +name: 6-O-acetyl-beta-D-glucose +is_a: CHEBI:17901 ! 6-O-acetyl-D-glucose + +[Term] +id: CHEBI:62117 +name: 6beta-hydroxyprogesterone +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid + +[Term] +id: CHEBI:62130 +name: beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc +is_a: CHEBI:59412 ! amino tetrasaccharide + +[Term] +id: CHEBI:62141 +name: S-[(2E,6E)-farnesyl]-L-cysteine zwitterion +is_a: CHEBI:137935 ! S-polyprenyl-L-cysteine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:62150 +name: (3,4-dimethoxyphenyl)methanol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:51681 ! dimethoxybenzene +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:62164 +name: N-acetylmannosamine +is_a: CHEBI:25166 ! mannosamine + +[Term] +id: CHEBI:62170 +name: N-acyl-D-mannosamine phosphate +is_a: CHEBI:25165 ! mannosamine phosphate + +[Term] +id: CHEBI:62192 +name: plastoquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone + +[Term] +id: CHEBI:62193 +name: biotin sulfoxide +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:51570 ! biotins +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62194 +name: (S)-carnitinyl-CoA betaine +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:35284 ! ammonium betaine + +[Term] +id: CHEBI:62196 +name: polysaccharide acid oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62197 +name: S-[(2E,6E)-farnesyl]-L-cysteine +is_a: CHEBI:22043 ! S-farnesyl-L-cysteine + +[Term] +id: CHEBI:62198 +name: lipid A-core +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:62199 +name: galactosyl-(glucosyl)3-(heptosyl)3-(KDO)2-lipid A-bisphosphate +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester + +[Term] +id: CHEBI:62200 +name: galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester + +[Term] +id: CHEBI:62201 +name: galactosyl-glucosyl-heptosyl-(phosphoheptosyl)2-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:62202 +name: glucosyl-heptosyl-(phosphoheptosyl)2-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:62203 +name: glucosyl-(heptosyl)2-4-phosphoheptosyl-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:62205 +name: 3-methylxanthine +is_a: CHEBI:62206 ! monomethylxanthine +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:62206 +name: monomethylxanthine +is_a: CHEBI:25348 ! methylxanthine + +[Term] +id: CHEBI:62207 +name: 3-methyl-9H-xanthine +is_a: CHEBI:62205 ! 3-methylxanthine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62208 +name: 3-methyl-7H-xanthine +is_a: CHEBI:62205 ! 3-methylxanthine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62209 +name: CoA-disulfide(8-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62210 +name: 5-hydroxypyrrole-2-carboxylate +is_a: CHEBI:26452 ! pyrrolecarboxylate + +[Term] +id: CHEBI:62211 +name: 3-butynoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62212 +name: 5-hydroxypyrrole-2-carboxylic acid +is_a: CHEBI:26454 ! pyrrolecarboxylic acid + +[Term] +id: CHEBI:62213 +name: D-4-hydroxy-2-oxoglutarate(2-) +is_a: CHEBI:17742 ! 4-hydroxy-2-oxoglutarate(2-) + +[Term] +id: CHEBI:62214 +name: 5-hydroxykynurenaminium(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:62215 +name: allelochemical +is_a: CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62216 +name: 1-hydroxyphenazine +is_a: CHEBI:39201 ! phenazines + +[Term] +id: CHEBI:62217 +name: 23,24-dihydrocucurbitacin B +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:17320 ! 23,24-dihydrocucurbitacin +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:62219 +name: 2-heptyl-4-quinolone +is_a: CHEBI:23765 ! quinolone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:38157 ! iron chelator +relationship: has_role CHEBI:62488 ! signalling molecule + +[Term] +id: CHEBI:62220 +name: pyocyanine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:39201 ! phenazines + +[Term] +id: CHEBI:62221 +name: 5-methylphenazine-1-carboxylate +is_a: CHEBI:35285 ! iminium betaine +is_a: CHEBI:36674 ! phenazine + +[Term] +id: CHEBI:62222 +name: 4-methyl-3-oxopentanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62223 +name: 2-(beta-D-glucosyloxy)-cis-cinnamate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:62224 +name: (-)-7-epi-alpha-selinene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:49272 ! selinene + +[Term] +id: CHEBI:62225 +name: S-sulfo-L-cysteinate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:62226 +name: L-selenocystathionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:62227 +name: L-adenosylselenomethionine zwitterion +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:62230 +name: GDP-alpha-D-glucose(2-) +is_a: CHEBI:138068 ! ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) +is_a: CHEBI:58127 ! GDP-D-glucose(2-) + +[Term] +id: CHEBI:62231 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)3-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide + +[Term] +id: CHEBI:62232 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:27194 ! undecaprenyldiphospho-N-acetylmuramoyl peptide + +[Term] +id: CHEBI:62233 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62234 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)-L-lysyl-D-alanyl-D-alanine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62235 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)3-L-lysyl-D-alanyl-D-alanine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62236 +name: undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)5-L-lysyl-D-alanyl-D-alanine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62237 +name: cardiolipin(2-) +is_a: CHEBI:76529 ! glycerophosphoglycerophosphoglycerol(2-) + +[Term] +id: CHEBI:62239 +name: 3-hydroxydecanoyl-3-hydroxydecanoate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:62241 +name: UDP-N-acetyl-beta-L-fucosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:62242 +name: trans-oct-2-enoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:85097 ! 4-saturated trans-2-enoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62243 +name: trans,trans-octa-2,4-dienoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +is_a: CHEBI:85111 ! 6-saturated-trans,trans-2,4-dienoyl-CoA(4-) + +[Term] +id: CHEBI:62244 +name: trans,trans-deca-2,4-dienoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +is_a: CHEBI:85111 ! 6-saturated-trans,trans-2,4-dienoyl-CoA(4-) + +[Term] +id: CHEBI:62245 +name: UDP-2-acetamido-3-ammonio-2,3-dideoxy-alpha-D-glucuronate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62246 +name: (S)-2-hydroxypropylphosphonate +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62247 +name: (1R,2S)-epoxypropylphosphonate(1-) +is_a: CHEBI:59635 ! organophosphonate oxoanion +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:62248 +name: phenazine-1-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62250 +name: UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62251 +name: 2-(beta-D-glucosyloxy)-cis-cinnamic acid +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:62254 +name: GDP-alpha-D-glucose +is_a: CHEBI:17383 ! GDP-D-glucose + +[Term] +id: CHEBI:62259 +name: alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GlcpNAc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:62262 +name: isomultiflorenol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:62263 +name: alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-D-GlcpNAc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:62265 +name: beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59132 ! antigen + +[Term] +id: CHEBI:62286 +name: 2'-deoxyinosine 5'-diphosphate(3-) +is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) + +[Term] +id: CHEBI:62287 +name: alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:59132 ! antigen + +[Term] +id: CHEBI:62318 +name: D-lyxose +is_a: CHEBI:25097 ! lyxose + +[Term] +id: CHEBI:62320 +name: L-lyxose +is_a: CHEBI:25097 ! lyxose + +[Term] +id: CHEBI:62324 +name: D-mannosamine +is_a: CHEBI:25166 ! mannosamine +is_a: CHEBI:63369 ! D-aldose derivative + +[Term] +id: CHEBI:62327 +name: alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc +is_a: CHEBI:18217 ! alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:62338 +name: O(4)-phosphonato-L-tyrosine(2-) +is_a: CHEBI:74955 ! O(4)-phosphonatotyrosine(2-) + +[Term] +id: CHEBI:62345 +name: L-rhamnose +is_a: CHEBI:26546 ! rhamnose + +[Term] +id: CHEBI:62346 +name: L-rhamnopyranose +is_a: CHEBI:62345 ! L-rhamnose + +[Term] +id: CHEBI:62370 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:62372 +name: UDP-2-acetamido-2,6-dideoxy-beta-L-talose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:62375 +name: UDP-2-acetamido-2,6-dideoxy-alpha-D-xylo-hex-4-ulose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:62377 +name: UDP-2-acetamido-2,6-dideoxy-beta-L-lyxo-hex-4-ulose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:62383 +name: 1D-myo-inositol 2-phosphate +is_a: CHEBI:25446 ! myo-inositol monophosphate + +[Term] +id: CHEBI:62406 +name: 3-hydroxydecanoyl-3-hydroxydecanoic acid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:62407 +name: UDP-N-acetyl-beta-L-fucosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:62408 +name: trans,trans-octa-2,4-dienoyl-CoA +is_a: CHEBI:17157 ! trans,trans-2,3,4,5-tetradehydroacyl-CoA + +[Term] +id: CHEBI:62409 +name: trans,trans-deca-2,4-dienoyl-CoA +is_a: CHEBI:17157 ! trans,trans-2,3,4,5-tetradehydroacyl-CoA + +[Term] +id: CHEBI:62410 +name: UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronic acid +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:62411 +name: UDP-2-acetamido-2,6-dideoxy-beta-L-talose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:62412 +name: phenazine-1-carboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33859 ! aromatic carboxylic acid +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:62413 +name: (S)-methylmalonate semialdehyde +is_a: CHEBI:57700 ! 2-methyl-3-oxopropanoate + +[Term] +id: CHEBI:62414 +name: biotinyl-5'-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:62416 +name: dammarenediol-II +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62417 +name: arabidiol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:52340 ! tricyclic triterpenoid + +[Term] +id: CHEBI:62418 +name: 3-oxohexanoyl-CoA(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62419 +name: (1R,2S)-epoxypropylphosphonate(2-) +is_a: CHEBI:71285 ! organophosphonate(2-) + +[Term] +id: CHEBI:62420 +name: UDP-2-acetamido-2,6-dideoxy-alpha-D-xylo-hex-4-ulose +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:62421 +name: (S)-2-trans-abscisate +is_a: CHEBI:62429 ! 2-trans-abscisate + +[Term] +id: CHEBI:62423 +name: (2-hydroxyphenyl)acetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:62424 +name: UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uloseuronic acid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:62426 +name: 2-trans-abscisic acid +is_a: CHEBI:62431 ! abscisic acids + +[Term] +id: CHEBI:62428 +name: UDP-2-acetamido-2,6-dideoxy-beta-L-lyxo-hex-4-ulose +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:62429 +name: 2-trans-abscisate +is_a: CHEBI:62432 ! abscisates + +[Term] +id: CHEBI:62431 +name: abscisic acids +is_a: CHEBI:134397 ! tertiary allylic alcohol +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:62432 +name: abscisates +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62433 +name: (R)-2-trans-abscisate +is_a: CHEBI:62429 ! 2-trans-abscisate + +[Term] +id: CHEBI:62436 +name: (+)-abscisic acid D-glucopyranosyl ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35436 ! D-glucoside + +[Term] +id: CHEBI:62437 +name: (S)-2-trans-abscisic acid beta-D-glucopyranosyl ester +is_a: CHEBI:62438 ! (S)-2-trans-abscisic acid D-glucopyranosyl ester + +[Term] +id: CHEBI:62438 +name: (S)-2-trans-abscisic acid D-glucopyranosyl ester +is_a: CHEBI:133910 ! 2-trans-abscisic acid D-glucosyl ester + +[Term] +id: CHEBI:62439 +name: soyasapogenol B 3-O-beta-glucuronide +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:61778 ! triterpenoid saponin + +[Term] +id: CHEBI:62440 +name: soyasapogenol A +is_a: CHEBI:25872 ! pentacyclic triterpenoid + +[Term] +id: CHEBI:62441 +name: soyasapogenol B 3-O-beta-glucuronate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62442 +name: soyasapogenol A 3-O-beta-glucuronide +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:61778 ! triterpenoid saponin + +[Term] +id: CHEBI:62443 +name: soyasapogenol A 3-O-beta-glucuronate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62444 +name: soyasapogenol E +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:62445 +name: soyasapogenol E 3-O-beta-glucuronide +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:61778 ! triterpenoid saponin + +[Term] +id: CHEBI:62446 +name: soyasapogenol E 3-O-beta-glucuronate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62447 +name: dammara-20,24-diene +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:35341 ! steroid + +[Term] +id: CHEBI:62448 +name: indole-3-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62449 +name: 4,4'-diapolycopene +is_a: CHEBI:35162 ! acyclic carotene + +[Term] +id: CHEBI:62450 +name: 4,4'-diapolycopenedial +is_a: CHEBI:38124 ! dialdehyde +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:62452 +name: camelliol C +is_a: CHEBI:33661 ! monocyclic compound +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36615 ! triterpenoid + +[Term] +id: CHEBI:62455 +name: germanicol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:62456 +name: cucurbitadienol +is_a: CHEBI:26893 ! tetracyclic triterpenoid + +[Term] +id: CHEBI:62457 +name: (17Z)-protosta-17(20),24-dien-3beta-ol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62458 +name: sophoradiol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:62459 +name: 24-hydroxy-beta-amyrin +is_a: CHEBI:25872 ! pentacyclic triterpenoid + +[Term] +id: CHEBI:62460 +name: helvolic acid +is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:47891 ! steroid acid + +[Term] +id: CHEBI:62461 +name: helvolate +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:62462 +name: isoguanine +is_a: CHEBI:25810 ! oxopurine + +[Term] +id: CHEBI:62463 +name: 7,9,9'-tri-cis-neurosporene +is_a: CHEBI:35162 ! acyclic carotene + +[Term] +id: CHEBI:62464 +name: O-(3-O-beta-D-galactosyl-N-acetyl-alpha-D-galactosaminyl)-L-serine +is_a: CHEBI:21957 ! O-glycosyl-L-serine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:62465 +name: O-(3-O-beta-D-galactosyl-N-acetyl-alpha-D-galactosaminyl)-L-serine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:62466 +name: 7,7',9,9'-tetra-cis-lycopene +is_a: CHEBI:35162 ! acyclic carotene + +[Term] +id: CHEBI:62474 +name: all-trans-3,4-didehydrolycopene +is_a: CHEBI:35162 ! acyclic carotene + +[Term] +id: CHEBI:62476 +name: 2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose +is_a: CHEBI:24592 ! hexuronic acid +is_a: CHEBI:55333 ! glycosylrhamnose + +[Term] +id: CHEBI:62478 +name: 2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose(1-) +is_a: CHEBI:24591 ! hexuronate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62480 +name: spheroiden-2-one +is_a: CHEBI:35310 ! carotenone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:62481 +name: (3E)-3,4-didehydrorhodopin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:62488 +name: signalling molecule +is_a: CHEBI:33280 ! molecular messenger + +[Term] +id: CHEBI:62490 +name: sphingomyelin d18:1(1+) +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:62495 +name: D-glucosylsphingosine(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:62497 +name: 7-(3-methylbut-2-enyl)-L-tryptophan zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:62499 +name: methyl-branched fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid + +[Term] +id: CHEBI:62500 +name: methacrylyl-CoA(4-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:62501 +name: folate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:67011 ! folates +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:62505 +name: demethylspheroidene +is_a: CHEBI:23045 ! carotenol + +[Term] +id: CHEBI:62508 +name: eudesmane sesquiterpenoid +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:62509 +name: 2-O-(alpha-D-glucopyranosyl)-D-glyceric acid +is_a: CHEBI:22390 ! alpha-D-glucoside +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:62510 +name: 2-O-(alpha-D-glucopyranosyl)-D-glycerate +is_a: CHEBI:22390 ! alpha-D-glucoside +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:62514 +name: 10-epi-gamma-eudesmol +is_a: CHEBI:62508 ! eudesmane sesquiterpenoid +relationship: has_role CHEBI:27311 ! volatile oil component + +[Term] +id: CHEBI:62517 +name: tricarballylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:62519 +name: (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol +is_a: CHEBI:37205 ! pentol +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:62521 +name: trans-permethrin +is_a: CHEBI:34911 ! permethrin + +[Term] +id: CHEBI:62523 +name: (-)-trans-permethrin +is_a: CHEBI:62521 ! trans-permethrin + +[Term] +id: CHEBI:62526 +name: (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:62527 +name: (3-phenoxyphenyl)methanol +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite + +[Term] +id: CHEBI:62528 +name: (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid +is_a: CHEBI:39308 ! 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid + +[Term] +id: CHEBI:62531 +name: (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62533 +name: oligogalacturonide +is_a: CHEBI:24151 ! galactooligosaccharide + +[Term] +id: CHEBI:62537 +name: N-acylphosphatidylethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:62543 +name: 3-oxotetradecanoyl-CoA(4-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:62545 +name: acyl alpha,alpha-trehalose +is_a: CHEBI:33563 ! glycolipid + +[Term] +id: CHEBI:62546 +name: monoacyl alpha,alpha-trehalose +is_a: CHEBI:62545 ! acyl alpha,alpha-trehalose + +[Term] +id: CHEBI:62547 +name: polyacyl alpha,alpha-trehalose +is_a: CHEBI:62545 ! acyl alpha,alpha-trehalose + +[Term] +id: CHEBI:62548 +name: 3-oxodecanoyl-CoA(4-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:62549 +name: acyl alpha,alpha-trehalose derivative +is_a: CHEBI:33563 ! glycolipid + +[Term] +id: CHEBI:62552 +name: polyacyl alpha,alpha-trehalose derivative +is_a: CHEBI:62549 ! acyl alpha,alpha-trehalose derivative + +[Term] +id: CHEBI:62554 +name: fumonisin B1(3-) +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:35754 ! tetracarboxylic acid anion + +[Term] +id: CHEBI:62555 +name: 3-hydroxyisovaleryl-CoA(4-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:62558 +name: (S)-3-hydroxylauroyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62563 +name: cellooligosaccharide +is_a: CHEBI:50699 ! oligosaccharide + +[Term] +id: CHEBI:62566 +name: CDP-1L-myo-inositol +is_a: CHEBI:47784 ! nucleotide conjugate + +[Term] +id: CHEBI:62571 +name: beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer +is_a: CHEBI:140691 ! beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:62573 +name: CDP-1L-myo-inositol(2-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:62574 +name: bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate +is_a: CHEBI:24846 ! inositol phosphate + +[Term] +id: CHEBI:62576 +name: bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion + +[Term] +id: CHEBI:62600 +name: 2-O-(alpha-D-glucopyranosyl)-3-O-phosphonato-D-glycerate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62601 +name: 2-O-(alpha-D-glucopyranosyl)-3-O-phospho-D-glyceric acid +is_a: CHEBI:22390 ! alpha-D-glucoside +is_a: CHEBI:36952 ! carboxyalkyl phosphate + +[Term] +id: CHEBI:62602 +name: 2-O-[alpha-D-mannopyranosyl-(1->2)-alpha-D-glucopyranosyl]-3-O-phosphonato-D-glycerate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62603 +name: 2-O-[alpha-D-mannopyranosyl-(1->2)-alpha-D-glucopyranosyl]-3-O-phospho-D-glyceric acid +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:36952 ! carboxyalkyl phosphate +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:62608 +name: EC 4.2.1.3 (aconitate hydratase) inhibitor +is_a: CHEBI:76907 ! EC 4.2.1.* (hydro-lyases) inhibitor + +[Term] +id: CHEBI:62609 +name: EC 3.11.1.3 (phosphonopyruvate hydrolase) inhibitor +is_a: CHEBI:76883 ! EC 3.11.1.* (hydrolases acting on C-P bonds of phosphono-acetaldehyde, -acetate, or -pyruvate) inhibitor + +[Term] +id: CHEBI:62611 +name: (S)-3-hydroxyisobutyryl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:62612 +name: (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylate +is_a: CHEBI:26457 ! 1-pyrrolinecarboxylate + +[Term] +id: CHEBI:62613 +name: (S)-3-hydroxypalmitoyl-CoA(4-) +is_a: CHEBI:136757 ! long-chain (3S)-hydroxy fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62614 +name: (S)-3-hydroxytetradecanoyl-CoA(4-) +is_a: CHEBI:136757 ! long-chain (3S)-hydroxy fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62615 +name: 3-oxolauroyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62616 +name: (S)-3-hydroxydecanoyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:86041 ! 3-hydroxydecanoyl-CoA(4-) + +[Term] +id: CHEBI:62617 +name: (S)-3-hydroxyoctanoyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:86040 ! 3-hydroxyoctanoyl-CoA(4-) + +[Term] +id: CHEBI:62618 +name: hydroxyacyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:62619 +name: 3-oxooctanoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62620 +name: hexanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:62621 +name: L-selenomethionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:62622 +name: (5-hydroxyindol-3-yl)acetate +is_a: CHEBI:38468 ! indol-3-yl carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:62624 +name: 5-hydroxy-L-kynurenine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:62626 +name: uroporphyrinogen I(8-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:62631 +name: coproporphyrinogen I(4-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:62637 +name: L-4-hydroxyglutamate semialdehyde zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion + +[Term] +id: CHEBI:62638 +name: (S)-3-hydroxyisobutyrate +is_a: CHEBI:59835 ! hydroxy fatty acid anion + +[Term] +id: CHEBI:62639 +name: 2-cis,6-trans,10-trans-geranylgeranyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62641 +name: perillate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62643 +name: anionic phospholipid +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62649 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer +is_a: CHEBI:140714 ! alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:36642 ! glycohexaosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:62651 +name: thia-alkylglucosinolate +is_a: CHEBI:36445 ! alkylglucosinolate + +[Term] +id: CHEBI:62663 +name: hydroxy-alkenylglucosinolate +is_a: CHEBI:24279 ! glucosinolate + +[Term] +id: CHEBI:62682 +name: inositol phosphomannosylinositol phosphoceramide +is_a: CHEBI:26057 ! phosphoglycosphingolipid + +[Term] +id: CHEBI:62727 +name: molybdopterin adenine dinucleotide(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62728 +name: molybdopterin adenine dinucleotide +is_a: CHEBI:37146 ! molybdopterin dinucleotide + +[Term] +id: CHEBI:62729 +name: 3-(all-trans-polyprenyl)benzene-1,2-diol +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:62731 +name: 2-methoxy-6-(all-trans-polyprenyl)phenol +is_a: CHEBI:134251 ! guaiacols + +[Term] +id: CHEBI:62732 +name: aromatic ester +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:35701 ! ester + +[Term] +id: CHEBI:62733 +name: aromatic amide +is_a: CHEBI:32988 ! amide +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:62734 +name: 2,7-dihydroxy-4'-methoxyisoflavanone +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:72739 ! hydroxyisoflavanone +is_a: CHEBI:72740 ! methoxyisoflavanone + +[Term] +id: CHEBI:62735 +name: lupan-3beta,20-diol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:62736 +name: 4,4'-diapophytoene +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:48121 ! polyene + +[Term] +id: CHEBI:62738 +name: 15-cis-4,4'-diapophytoene +is_a: CHEBI:62736 ! 4,4'-diapophytoene + +[Term] +id: CHEBI:62739 +name: 4,4'-diapophytofluene +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:48121 ! polyene + +[Term] +id: CHEBI:62740 +name: all-trans-4,4'-diapophytofluene +is_a: CHEBI:62739 ! 4,4'-diapophytofluene + +[Term] +id: CHEBI:62741 +name: 4,4'-diapo-zeta-carotene +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:48121 ! polyene + +[Term] +id: CHEBI:62742 +name: all-trans-4,4'-diapo-zeta-carotene +is_a: CHEBI:62741 ! 4,4'-diapo-zeta-carotene + +[Term] +id: CHEBI:62743 +name: 4,4'-diaponeurosporene +is_a: CHEBI:35191 ! triterpene +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:48121 ! polyene + +[Term] +id: CHEBI:62745 +name: ammoniodiacetate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:62746 +name: 2-acyl-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:62749 ! 2-acylglycerophosphoinositol + +[Term] +id: CHEBI:62747 +name: 1-acyl-sn-glycero-3-phosphoglycerol +is_a: CHEBI:24360 ! glycerophosphoglycerols + +[Term] +id: CHEBI:62749 +name: 2-acylglycerophosphoinositol +is_a: CHEBI:36315 ! glycerophosphoinositol + +[Term] +id: CHEBI:62753 +name: alpha-longipinene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:35990 ! bridged compound + +[Term] +id: CHEBI:62755 +name: alpha-bergamotene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35714 ! polycyclic olefin +is_a: CHEBI:35990 ! bridged compound +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:62756 +name: (-)-exo-alpha-bergamotene +is_a: CHEBI:62755 ! alpha-bergamotene + +[Term] +id: CHEBI:62759 +name: beta-curcumene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:37613 ! cyclohexadiene + +[Term] +id: CHEBI:62760 +name: (-)-beta-curcumene +is_a: CHEBI:62759 ! beta-curcumene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:62761 +name: tyrosine derivative +is_a: CHEBI:25985 ! phenylalanine derivative +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:62762 +name: (+)-2-epi-prezizaene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:51119 ! tricyclic hydrocarbon + +[Term] +id: CHEBI:62764 +name: reactive nitrogen species +is_a: CHEBI:51143 ! nitrogen molecular entity + +[Term] +id: CHEBI:62765 +name: beta-D-glucosyl crocetin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:36244 ! dicarboxylic acid monoester + +[Term] +id: CHEBI:62766 +name: beta-D-glucosyl crocetin(1-) +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:62767 +name: crocetin(2-) +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion + +[Term] +id: CHEBI:62768 +name: bis(beta-D-glucosyl) crocetin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:51307 ! diester + +[Term] +id: CHEBI:62769 +name: beta-D-gentiobiosyl crocetin +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:62770 +name: beta-D-gentiobiosyl crocetin(1-) +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:62771 +name: beta-D-gentiobiosyl beta-D-glucosyl crocetin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:51307 ! diester + +[Term] +id: CHEBI:62776 +name: (1->4)-beta-D-galactan +is_a: CHEBI:37165 ! galactan + +[Term] +id: CHEBI:62777 +name: maltotriulose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:62780 +name: nigerotriose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:62781 +name: alpha-L-Araf-(1->5)-alpha-L-Araf-(1->5)-L-Araf +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:62783 +name: beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-D-Xylp +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:62785 +name: beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-D-Manp +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:62787 +name: 1,5-dihydroflavin +is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione + +[Term] +id: CHEBI:62788 +name: 3-nonaprenyl-4,5-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:33566 ! catechols + +[Term] +id: CHEBI:62789 +name: 3-nonaprenyl-4,5-dihydroxybenzoate +is_a: CHEBI:64694 ! 3,4-dihydroxy-5-polyprenylbenzoate + +[Term] +id: CHEBI:62790 +name: 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid +is_a: CHEBI:25238 ! methoxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:62791 +name: 3-nonaprenyl-4-hydroxy-5-methoxybenzoate +is_a: CHEBI:84443 ! 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate + +[Term] +id: CHEBI:62793 +name: 3-decaprenyl-4,5-dihydroxybenzoate +is_a: CHEBI:64694 ! 3,4-dihydroxy-5-polyprenylbenzoate + +[Term] +id: CHEBI:62796 +name: 3-decaprenyl-4-hydroxy-5-methoxybenzoate +is_a: CHEBI:84443 ! 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate + +[Term] +id: CHEBI:62803 +name: fuel additive +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:62804 +name: metallochlorin +is_a: CHEBI:25216 ! metalloporphyrin + +[Term] +id: CHEBI:62805 +name: isooctane +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:61015 ! nephrotoxin +relationship: has_role CHEBI:62803 ! fuel additive + +[Term] +id: CHEBI:62811 +name: heme d cis-diol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:38573 ! ferroheme +is_a: CHEBI:62804 ! metallochlorin + +[Term] +id: CHEBI:62814 +name: heme d cis-diol(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:62830 +name: dTDP-4-dehydro-beta-L-rhamnose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:62833 +name: 1-myristoyl-sn-glycerol 3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:62834 +name: 1-linoleoyl-sn-glycerol 3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:62836 +name: 2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine residue +is_a: CHEBI:50320 ! nucleoside residue + +[Term] +id: CHEBI:62837 +name: 1-oleoyl-sn-glycerol 3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:62840 +name: 1-lauroyl-sn-glycerol 3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:87659 ! dodecanoate ester + +[Term] +id: CHEBI:62845 +name: 4-hydroxy-17beta-estradiol +is_a: CHEBI:62846 ! 4-hydroxy steroid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62846 +name: 4-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:62847 +name: 6alpha-hydroxy-17beta-estradiol +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid + +[Term] +id: CHEBI:62857 +name: alpha-L-Fucp-(1->2)-D-Galp +is_a: CHEBI:22423 ! alpha-L-fucosyl-(1->2)-D-galactose + +[Term] +id: CHEBI:62858 +name: 4,6-Me(COOH)C-beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide + +[Term] +id: CHEBI:62860 +name: 4,6-Me(COOH)C-beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62866 +name: 2-methylthio-N(6)-(Delta(2)-isopentenyl)adenosine residue +is_a: CHEBI:50320 ! nucleoside residue + +[Term] +id: CHEBI:62867 +name: soyasaponin III +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:61778 ! triterpenoid saponin +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:62868 ! hepatoprotective agent + +[Term] +id: CHEBI:62868 +name: hepatoprotective agent +is_a: CHEBI:50267 ! protective agent + +[Term] +id: CHEBI:62871 +name: EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor +is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor + +[Term] +id: CHEBI:62872 +name: EC 1.2.3.1 (aldehyde oxidase) inhibitor +is_a: CHEBI:76853 ! EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor + +[Term] +id: CHEBI:62873 +name: odorant receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:62875 +name: 2-methylthio-N(6)-(Delta(2)-isopentenyl)adenosine +is_a: CHEBI:60783 ! nucleoside analogue + +[Term] +id: CHEBI:62877 +name: 2-deoxy-D-ribofuranose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62879 +name: 2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine +is_a: CHEBI:60783 ! nucleoside analogue + +[Term] +id: CHEBI:62889 +name: organic diphosphate +is_a: CHEBI:25703 ! organic phosphate + +[Term] +id: CHEBI:62890 +name: 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62894 +name: organic triphosphate +is_a: CHEBI:25703 ! organic phosphate + +[Term] +id: CHEBI:62898 +name: isopentenyl alcohol +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:15734 ! primary alcohol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:62899 +name: (R,Z)- 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-) +is_a: CHEBI:58895 ! 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62911 +name: soyasaponin III(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62912 +name: 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:38418 ! 1,3-thiazoles + +[Term] +id: CHEBI:62913 +name: EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor +is_a: CHEBI:76790 ! EC 2.4.2.* (pentosyltransferase) inhibitor + +[Term] +id: CHEBI:62915 +name: sialyltransferase inhibitor +is_a: CHEBI:76882 ! EC 2.4.99.* (glycosyltransferases transferring other glycosyl groups) inhibitor + +[Term] +id: CHEBI:62916 +name: soyasaponin I(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62919 +name: 1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate +is_a: CHEBI:25447 ! myo-inositol pentakisphosphate +is_a: CHEBI:64604 ! diphosphoinositol polyphosphate + +[Term] +id: CHEBI:62920 +name: icosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:62921 +name: (S,S,S)-nicotianamine monoanion +is_a: CHEBI:36299 ! tricarboxylic acid monoanion + +[Term] +id: CHEBI:62922 +name: 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate +is_a: CHEBI:25447 ! myo-inositol pentakisphosphate + +[Term] +id: CHEBI:62923 +name: 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate +is_a: CHEBI:14178 ! 1D-myo-inositol bis(diphosphate) tetrakisphosphate + +[Term] +id: CHEBI:62924 +name: 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate +is_a: CHEBI:14178 ! 1D-myo-inositol bis(diphosphate) tetrakisphosphate + +[Term] +id: CHEBI:62932 +name: mycophenolate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:62933 +name: oxylipin anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:62934 +name: discadenine(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:62936 +name: homomethioninate +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63470 ! sulfur-containing amino-acid anion + +[Term] +id: CHEBI:62937 +name: icosanoid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:62938 +name: hepoxilin anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion + +[Term] +id: CHEBI:62941 +name: glycosylceramide +is_a: CHEBI:17761 ! ceramide +is_a: CHEBI:24402 ! glycosphingolipid + +[Term] +id: CHEBI:62942 +name: leukotriene anion +is_a: CHEBI:62937 ! icosanoid anion + +[Term] +id: CHEBI:62943 +name: prostanoid anion +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion + +[Term] +id: CHEBI:62944 +name: sialic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:62945 +name: thromboxane anion +is_a: CHEBI:62943 ! prostanoid anion + +[Term] +id: CHEBI:62958 +name: N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:16511 ! N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol + +[Term] +id: CHEBI:62959 +name: N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:62974 +name: cellotetraose +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:62976 +name: cellopentaose +is_a: CHEBI:35369 ! pentasaccharide + +[Term] +id: CHEBI:62978 +name: 4-hydroxyprolinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:62979 +name: 5-hydroxylysinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:62980 +name: homoserinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:62981 +name: 4-hydroxy-L-prolinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +is_a: CHEBI:62978 ! 4-hydroxyprolinate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:62989 +name: chenodeoxycholoyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) +is_a: CHEBI:138842 ! 3alpha-hydroxy bile acid CoA thioester(4-) + +[Term] +id: CHEBI:63001 +name: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) + +[Term] +id: CHEBI:63046 +name: emulsifier +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:63047 +name: food emulsifier +is_a: CHEBI:63046 ! emulsifier +is_a: CHEBI:64047 ! food additive + +[Term] +id: CHEBI:63048 +name: 1,3-thiazolium cation +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:38418 ! 1,3-thiazoles + +[Term] +id: CHEBI:63056 +name: zinc cation +is_a: CHEBI:27365 ! zinc ion +is_a: CHEBI:33515 ! transition element cation + +[Term] +id: CHEBI:63061 +name: UDP-rhamnose +is_a: CHEBI:17297 ! UDP-sugar + +[Term] +id: CHEBI:63062 +name: aluminium cation +is_a: CHEBI:25213 ! metal cation +is_a: CHEBI:60272 ! aluminium ion + +[Term] +id: CHEBI:63063 +name: cadmium cation +is_a: CHEBI:33515 ! transition element cation + +[Term] +id: CHEBI:63065 +name: 1,1'-dihydroxy-1,1',2,2'-tetrahydrolycopene +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26878 ! tertiary alcohol + +[Term] +id: CHEBI:63067 +name: zeaxanthin bis(beta-D-glucoside) +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:23044 ! carotenoid + +[Term] +id: CHEBI:63068 +name: octacarboxylic acid anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:63069 +name: neurosporaxanthin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63070 +name: beta-alaninate +is_a: CHEBI:49095 ! beta-amino-acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:63072 +name: L-homocysteinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +is_a: CHEBI:66952 ! homocysteinate + +[Term] +id: CHEBI:631 +name: 1-hydroxy-2-aminoethylphosphonic acid +is_a: CHEBI:26069 ! phosphonic acids + +[Term] +id: CHEBI:63114 +name: sphingosine-1-phosphate receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:63131 +name: EDTA(3-) +is_a: CHEBI:35754 ! tetracarboxylic acid anion + +[Term] +id: CHEBI:63137 +name: 4-hydroxyproline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:63150 +name: D-rhamnose +is_a: CHEBI:26546 ! rhamnose + +[Term] +id: CHEBI:63151 +name: D-rhamnopyranose +is_a: CHEBI:63150 ! D-rhamnose + +[Term] +id: CHEBI:63156 +name: EC 1.1.3.13 (alcohol oxidase) inhibitor +is_a: CHEBI:76836 ! EC 1.1.3.* (oxidoreductase acting on donor CH-OH group, oxygen as acceptor) inhibitor + +[Term] +id: CHEBI:63157 +name: EC 4.2.1.22 (cystathionine beta-synthase) inhibitor +is_a: CHEBI:76907 ! EC 4.2.1.* (hydro-lyases) inhibitor + +[Term] +id: CHEBI:63158 +name: EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor +is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor + +[Term] +id: CHEBI:63161 +name: glycosyl compound +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:63163 +name: L-cystine anion +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:63164 +name: prosolanapyrone III +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:38237 ! prosolanapyrone + +[Term] +id: CHEBI:63165 +name: ribonucleoside monophosphate oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63166 +name: leukotriene D4(1-) +is_a: CHEBI:60334 ! peptide anion +is_a: CHEBI:62942 ! leukotriene anion + +[Term] +id: CHEBI:63167 +name: raucaffrinoline +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:63168 +name: perakine +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:63169 +name: pyranopterin +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38104 ! oxacycle + +[Term] +id: CHEBI:63171 +name: mononitrotoluene +is_a: CHEBI:25566 ! nitrotoluene + +[Term] +id: CHEBI:63173 +name: T-cell proliferation inhibitor +is_a: CHEBI:35222 ! inhibitor + +[Term] +id: CHEBI:63177 +name: 11alpha-hydroxy-beta-amyrin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:63178 +name: (13R)-edaxadiene +is_a: CHEBI:59685 ! edaxadiene + +[Term] +id: CHEBI:63180 +name: (13S)-edaxadiene +is_a: CHEBI:59685 ! edaxadiene + +[Term] +id: CHEBI:63184 +name: 11-oxo-beta-amyrin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:36130 ! cyclic terpene ketone + +[Term] +id: CHEBI:63190 +name: (+)-beta-caryophyllene +is_a: CHEBI:63191 ! beta-caryophyllene +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63191 +name: beta-caryophyllene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon + +[Term] +id: CHEBI:63194 +name: D-ravidosamine +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:63196 +name: (+)-caryolan-1-ol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:63202 +name: dTDP-D-ravidosamine +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:63203 +name: (-)-gamma-cadinene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:22976 ! cadinene +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63205 +name: (+)-gamma-cadinene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:22976 ! cadinene + +[Term] +id: CHEBI:63208 +name: 2-hydroxy-dATP +is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate + +[Term] +id: CHEBI:63209 +name: 2-hydroxy-dATP(3-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:63211 +name: 2-hydroxy-dAMP +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:63212 +name: 2-hydroxy-dAMP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63216 +name: 5(S),8(R)-DiHODE +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:36326 ! octadecanoid + +[Term] +id: CHEBI:63217 +name: 5(S),8(R)-DiHODE(1-) +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63220 +name: 8-oxo-dGTP +is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate +relationship: has_role CHEBI:25435 ! mutagen + +[Term] +id: CHEBI:63222 +name: 8-oxo-dGTP(3-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion + +[Term] +id: CHEBI:63223 +name: 8-oxo-dGMP +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:63224 +name: 8-oxo-dGMP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63237 +name: (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid +is_a: CHEBI:63238 ! (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid + +[Term] +id: CHEBI:63238 +name: (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid +is_a: CHEBI:134615 ! hydroperoxyoctadecatrienoic acid + +[Term] +id: CHEBI:63239 +name: (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate +is_a: CHEBI:133558 ! hydroperoxyoctadecatrienoate + +[Term] +id: CHEBI:63241 +name: (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate +is_a: CHEBI:63239 ! (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate + +[Term] +id: CHEBI:63243 +name: pentalen-13-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:63244 +name: pentalen-13-al +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:63245 +name: 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione +is_a: CHEBI:26616 ! seco-androstane +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:63247 +name: reducing agent +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:63248 +name: oxidising agent +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:63249 +name: (Z)-2-methylureidoperacrylic acid +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:52094 ! peroxy acid + +[Term] +id: CHEBI:63250 +name: (Z)-2-hydroxy-3-aminoperacrylic acid +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:52094 ! peroxy acid + +[Term] +id: CHEBI:63251 +name: 2-oxepin-2(3H)-ylideneacetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:63252 +name: 2-oxepin-2(3H)-ylideneacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:63253 +name: 3-oxo-5,6-dehydrosuberyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:63255 +name: 3-oxo-5,6-dehydrosuberyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:63256 +name: 3,8-dioxooct-5-enoyl-CoA +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:63257 +name: 3,8-dioxooct-5-enoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:63260 +name: dTDP-alpha-D-desosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63262 +name: dTDP-3-azaniumyl-3,4,6-trideoxy-alpha-D-glucose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63263 +name: beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:63264 +name: dTDP-3-amino-3,6-dideoxy-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:63265 +name: dTDP-3-azaniumyl-3,6-dideoxy-alpha-D-glucose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63266 +name: beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S +is_a: CHEBI:16735 ! 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose +is_a: CHEBI:37909 ! oligosaccharide sulfate + +[Term] +id: CHEBI:63267 +name: beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S(2-) +is_a: CHEBI:57878 ! 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-) + +[Term] +id: CHEBI:63268 +name: dTDP-alpha-D-mycaminose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63269 +name: dTDP-3-dehydro-6-deoxy-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63270 +name: N-acetyl-beta-D-galactosamine 6-sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion + +[Term] +id: CHEBI:63271 +name: 4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc +is_a: CHEBI:37909 ! oligosaccharide sulfate + +[Term] +id: CHEBI:63273 +name: UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucose +is_a: CHEBI:16549 ! UDP-2-acetamido-4-amino-2,4,6-trideoxy-D-glucose + +[Term] +id: CHEBI:63274 +name: 4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:63275 +name: 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35724 ! carbohydrate sulfate + +[Term] +id: CHEBI:63277 +name: UDP-2-acetamido-4-azaniumyl-2,4,6-trideoxy-alpha-D-glucose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63278 +name: 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:63280 +name: beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc(1-) +is_a: CHEBI:132151 ! beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:63281 +name: pseudaminic acid +is_a: CHEBI:63394 ! ketoaldonic acid derivative + +[Term] +id: CHEBI:63282 +name: pseudaminate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:63283 +name: 2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:63349 ! trideoxyhexose derivative + +[Term] +id: CHEBI:63286 +name: dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:63287 +name: 3-amino-3,6-dideoxy-alpha-D-galactopyranose +is_a: CHEBI:24586 ! hexosamine + +[Term] +id: CHEBI:63299 +name: carbohydrate derivative +is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives + +[Term] +id: CHEBI:63300 +name: osmoregulated periplasmic glucan +is_a: CHEBI:37163 ! glucan + +[Term] +id: CHEBI:63302 +name: dTDP-3-dehydro-6-deoxy-alpha-D-galactose +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone + +[Term] +id: CHEBI:63303 +name: dTDP-3-dehydro-6-deoxy-alpha-D-galactose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63304 +name: dTDP-D-ravidosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63305 +name: dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63307 +name: 10-deoxymethymycin(1+) +is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:63308 +name: mycinamicin III(1+) +is_a: CHEBI:63309 ! mycinamicin cation + +[Term] +id: CHEBI:63309 +name: mycinamicin cation +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:6331 +name: erythro-4-hydroxy-L-glutamate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:63310 +name: mycinamicin IV(1+) +is_a: CHEBI:63309 ! mycinamicin cation + +[Term] +id: CHEBI:63311 +name: mycinamicin VI(1+) +is_a: CHEBI:63309 ! mycinamicin cation + +[Term] +id: CHEBI:63319 +name: D-erythritol 1-phosphate +is_a: CHEBI:22292 ! alditol 1-phosphate + +[Term] +id: CHEBI:63322 +name: (S)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid +is_a: CHEBI:24962 ! ketoaldonic acid phosphate + +[Term] +id: CHEBI:63323 +name: 9(R)-HPODE(1-) +is_a: CHEBI:131862 ! HPODE(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63324 +name: (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:63325 +name: (2R,3S)-2,4',7-trihydroxyisoflavanone +is_a: CHEBI:72739 ! hydroxyisoflavanone + +[Term] +id: CHEBI:63328 +name: 4'-hydroxyisoflavones +is_a: CHEBI:38755 ! hydroxyisoflavone + +[Term] +id: CHEBI:63330 +name: sodium-dependent Pi-transporter inhibitor +is_a: CHEBI:35222 ! inhibitor + +[Term] +id: CHEBI:63331 +name: 9(R)-HPODE +is_a: CHEBI:36329 ! HPODE + +[Term] +id: CHEBI:63332 +name: EC 3.1.3.1 (alkaline phosphatase) inhibitor +is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor + +[Term] +id: CHEBI:63338 +name: deoxy sugar derivative +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:63339 +name: deoxy oligosaccharide derivative +is_a: CHEBI:63338 ! deoxy sugar derivative + +[Term] +id: CHEBI:63340 +name: deoxyhexose derivative +is_a: CHEBI:63338 ! deoxy sugar derivative + +[Term] +id: CHEBI:63346 +name: deoxymannose derivative +is_a: CHEBI:63340 ! deoxyhexose derivative + +[Term] +id: CHEBI:63347 +name: dideoxyhexose derivative +is_a: CHEBI:63340 ! deoxyhexose derivative + +[Term] +id: CHEBI:63349 +name: trideoxyhexose derivative +is_a: CHEBI:63340 ! deoxyhexose derivative + +[Term] +id: CHEBI:63350 +name: deoxyketohexose derivative +is_a: CHEBI:63340 ! deoxyhexose derivative + +[Term] +id: CHEBI:63351 +name: deoxyketopentose derivative +is_a: CHEBI:63355 ! deoxypentose derivative + +[Term] +id: CHEBI:63352 +name: deoxyaldohexose derivative +is_a: CHEBI:63340 ! deoxyhexose derivative + +[Term] +id: CHEBI:63353 +name: disaccharide derivative +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:63355 +name: deoxypentose derivative +is_a: CHEBI:63338 ! deoxy sugar derivative + +[Term] +id: CHEBI:63361 +name: glycosylglucose derivative +is_a: CHEBI:63353 ! disaccharide derivative + +[Term] +id: CHEBI:63367 +name: monosaccharide derivative +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:63368 +name: aldose derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63369 +name: D-aldose derivative +is_a: CHEBI:63368 ! aldose derivative + +[Term] +id: CHEBI:63373 +name: aldopentose derivative +is_a: CHEBI:63368 ! aldose derivative +is_a: CHEBI:63409 ! pentose derivative + +[Term] +id: CHEBI:63378 +name: anhydro sugar derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63379 +name: anhydrohexose derivative +is_a: CHEBI:63378 ! anhydro sugar derivative + +[Term] +id: CHEBI:63383 +name: heptose derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63384 +name: ketoheptose derivative +is_a: CHEBI:63383 ! heptose derivative + +[Term] +id: CHEBI:63385 +name: hexose derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63389 +name: UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine(1-) +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:63391 +name: ketohexose derivative +is_a: CHEBI:63385 ! hexose derivative + +[Term] +id: CHEBI:63394 +name: ketoaldonic acid derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63401 +name: ketooctose derivative +is_a: CHEBI:63402 ! ketose derivative + +[Term] +id: CHEBI:63402 +name: ketose derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63403 +name: sedoheptulose derivative +is_a: CHEBI:63384 ! ketoheptose derivative + +[Term] +id: CHEBI:63405 +name: ketopentose derivative +is_a: CHEBI:63402 ! ketose derivative +is_a: CHEBI:63409 ! pentose derivative + +[Term] +id: CHEBI:63407 +name: ketotriose derivative +is_a: CHEBI:63402 ! ketose derivative +is_a: CHEBI:63413 ! triose derivative + +[Term] +id: CHEBI:63409 +name: pentose derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63410 +name: all-trans-retinyl ester +is_a: CHEBI:16179 ! retinyl ester + +[Term] +id: CHEBI:63413 +name: triose derivative +is_a: CHEBI:63367 ! monosaccharide derivative + +[Term] +id: CHEBI:63415 +name: glycodiaosylceramide +is_a: CHEBI:36520 ! oligoglycosylceramide + +[Term] +id: CHEBI:63416 +name: 4-amino-5-ammoniomethyl-2-methylpyrimidine +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:63417 +name: UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63420 +name: UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:63421 +name: beta-L-altrose +is_a: CHEBI:37708 ! altrose +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:63422 +name: UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:63423 +name: alditol derivative +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:63424 +name: glycosyl alditol derivative +is_a: CHEBI:63423 ! alditol derivative + +[Term] +id: CHEBI:63425 +name: galactosylglycerol derivative +is_a: CHEBI:63424 ! glycosyl alditol derivative +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:63426 +name: glucosylglycerol derivative +is_a: CHEBI:63424 ! glycosyl alditol derivative +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:63427 +name: glycosylglycerol derivative +is_a: CHEBI:63424 ! glycosyl alditol derivative + +[Term] +id: CHEBI:63428 +name: digalactosylglycerol derivative +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:63430 +name: hexitol derivative +is_a: CHEBI:63423 ! alditol derivative + +[Term] +id: CHEBI:63432 +name: galactitol derivative +is_a: CHEBI:63430 ! hexitol derivative + +[Term] +id: CHEBI:63434 +name: pentitol derivative +is_a: CHEBI:63423 ! alditol derivative + +[Term] +id: CHEBI:63435 +name: tetritol derivative +is_a: CHEBI:63423 ! alditol derivative + +[Term] +id: CHEBI:63436 +name: carbohydrate acid derivative +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:63437 +name: aldaric acid derivative +is_a: CHEBI:63436 ! carbohydrate acid derivative + +[Term] +id: CHEBI:63438 +name: hexaric acid derivative +is_a: CHEBI:63437 ! aldaric acid derivative + +[Term] +id: CHEBI:63441 +name: aldonic acid derivative +is_a: CHEBI:63436 ! carbohydrate acid derivative + +[Term] +id: CHEBI:63442 +name: hexonic acid derivative +is_a: CHEBI:63441 ! aldonic acid derivative + +[Term] +id: CHEBI:63443 +name: alpha-guaiene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:63444 +name: viridiflorene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:63445 +name: 5-epi-alpha-selinene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:49272 ! selinene +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:63446 +name: (-)-cubebol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:63447 +name: delta-guaiene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:63454 +name: pentonic acid derivative +is_a: CHEBI:63441 ! aldonic acid derivative + +[Term] +id: CHEBI:63455 +name: tetronic acid derivative +is_a: CHEBI:63441 ! aldonic acid derivative + +[Term] +id: CHEBI:63458 +name: 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:63459 +name: shionone +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36130 ! cyclic terpene ketone + +[Term] +id: CHEBI:63460 +name: parkeol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63461 +name: achilleol B +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:52340 ! tricyclic triterpenoid + +[Term] +id: CHEBI:63462 +name: glutinol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:63463 +name: baccharis oxide +is_a: CHEBI:25872 ! pentacyclic triterpenoid + +[Term] +id: CHEBI:63464 +name: alpha-seco-amyrin +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36615 ! triterpenoid + +[Term] +id: CHEBI:63465 +name: marneral +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:36615 ! triterpenoid + +[Term] +id: CHEBI:63466 +name: beta-seco-amyrin +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36615 ! triterpenoid + +[Term] +id: CHEBI:63467 +name: delta-amyrin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:63468 +name: tirucalla-7,24-dien-3beta-ol +is_a: CHEBI:83211 ! tirucallane triterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:63469 +name: 3-hydroxy-3-phenylpropionate +is_a: CHEBI:22743 ! benzyl alcohols +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63470 +name: sulfur-containing amino-acid anion +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:63471 +name: branched-chain amino-acid anion +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:63473 +name: aromatic amino-acid anion +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:63474 +name: arsonoacetic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63475 +name: ectoinate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63476 +name: 4-carboxylato-4'-sulfonatoazobenzene +is_a: CHEBI:22682 ! azobenzenes +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:53348 ! benzenesulfonates + +[Term] +id: CHEBI:63477 +name: iodothyroninate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:63488 +name: beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc-yl group +is_a: CHEBI:24403 ! glycosyl group + +[Term] +id: CHEBI:63490 +name: explosive +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:63510 +name: EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor +is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor + +[Term] +id: CHEBI:63523 +name: fructosyllysinate +is_a: CHEBI:63790 ! glyco-amino-acid anion + +[Term] +id: CHEBI:63524 +name: 5-hydroxyectoinate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63525 +name: D-mannosyl-D-glycerate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:63526 +name: platinum cation +is_a: CHEBI:33515 ! transition element cation +is_a: CHEBI:49202 ! elemental platinum + +[Term] +id: CHEBI:63527 +name: TTP(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63528 +name: dTMP(2-) +is_a: CHEBI:142209 ! pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) +is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:63529 +name: guanyl deoxyribonucleotide oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63534 +name: monoamine +is_a: CHEBI:64365 ! aralkylamino compound + +[Term] +id: CHEBI:63539 +name: (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:76189 ! timnodonoyl bioconjugate + +[Term] +id: CHEBI:63540 +name: (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:63541 +name: (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:63542 +name: (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:63543 +name: (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA + +[Term] +id: CHEBI:63544 +name: (7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:63545 +name: (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:76185 ! stearidonoyl bioconjugate +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:63546 +name: (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:63547 +name: 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:63548 +name: (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA + +[Term] +id: CHEBI:63550 +name: TTP +is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate + +[Term] +id: CHEBI:63551 +name: carbohydrate acid derivative anion +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:63552 +name: 1-phenyl-1,2-propanedione +is_a: CHEBI:51869 ! alpha-diketone +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:63553 +name: 2-hydroxy-1-phenyl-1-propanone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:63558 +name: DIBOA +is_a: CHEBI:23445 ! cyclic hydroxamic acid +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:46969 ! benzoxazine +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:38231 ! phytotoxin +relationship: has_role CHEBI:62215 ! allelochemical + +[Term] +id: CHEBI:63559 +name: HBOA +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:46969 ! benzoxazine +relationship: has_role CHEBI:62215 ! allelochemical + +[Term] +id: CHEBI:63561 +name: ketoaldonate derivative +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:63563 +name: oligosaccharide derivative +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:63566 +name: pentasaccharide derivative +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:63567 +name: tetrasaccharide derivative +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:63571 +name: trisaccharide derivative +is_a: CHEBI:63563 ! oligosaccharide derivative + +[Term] +id: CHEBI:63573 +name: guanyl deoxyribonucleotide +is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide +is_a: CHEBI:61292 ! guanyl nucleotide + +[Term] +id: CHEBI:63576 +name: maltose 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63579 +name: 18-HETE +is_a: CHEBI:36275 ! HETE + +[Term] +id: CHEBI:63580 +name: ribavirin +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:62733 ! aromatic amide +is_a: CHEBI:63594 ! 1-ribosyltriazole +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:59897 ! EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor + +[Term] +id: CHEBI:63582 +name: 1-palmitoylglycerol 3-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:63590 +name: 18-HETE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:63592 +name: maltose 1-phosphate +is_a: CHEBI:25143 ! maltose phosphate + +[Term] +id: CHEBI:63593 +name: 1-glycosyltriazole +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35727 ! triazoles + +[Term] +id: CHEBI:63594 +name: 1-ribosyltriazole +is_a: CHEBI:63593 ! 1-glycosyltriazole + +[Term] +id: CHEBI:63606 +name: (6S)-5-formyltetrahydrofolic acid +is_a: CHEBI:15640 ! 5-formyltetrahydrofolic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:63618 +name: pravastatin +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +is_a: CHEBI:87633 ! statin (semi-synthetic) +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:35821 ! anticholesteremic drug +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:63624 +name: telbivudine +is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside +relationship: has_role CHEBI:36044 ! antiviral drug +relationship: has_role CHEBI:59897 ! EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor + +[Term] +id: CHEBI:63640 +name: 26-hydroxycholest-4-en-3-one +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50401 ! cholestanoid + +[Term] +id: CHEBI:63641 +name: 9alpha-hydroxyandrosta-1,4-diene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:63644 ! 9-hydroxy steroid +is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid + +[Term] +id: CHEBI:63644 +name: 9-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid + +[Term] +id: CHEBI:63655 +name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid + +[Term] +id: CHEBI:63656 +name: 9beta-pimara-7,15-dien-19-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:49192 ! pimarane diterpenoid + +[Term] +id: CHEBI:63658 +name: 9beta-pimara-7,15-dien-19-al +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:49192 ! pimarane diterpenoid + +[Term] +id: CHEBI:63659 +name: 9beta-pimara-7,15-dien-19-oate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63660 +name: pravastatin(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63662 +name: 11alpha-hydroxy-ent-cassa-12,15-diene +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:63663 +name: 10beta,14beta-dihydroxytaxa-4(20),11-dien-5alpha-yl acetate +is_a: CHEBI:50367 ! taxane diterpenoid + +[Term] +id: CHEBI:63664 +name: taxusin +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50367 ! taxane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63665 +name: 7beta-hydroxytaxusin +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50367 ! taxane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63668 +name: abieta-7,13-dien-18,18-diol +is_a: CHEBI:63733 ! aldehyde hydrate + +[Term] +id: CHEBI:63670 +name: DIBOA beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:63671 +name: TRIBOA beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:23445 ! cyclic hydroxamic acid +is_a: CHEBI:46969 ! benzoxazine + +[Term] +id: CHEBI:63672 +name: 3-methoxy-4',5-dihydroxy-trans-stilbene +is_a: CHEBI:36027 ! stilbenol + +[Term] +id: CHEBI:63676 +name: dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63677 +name: erythromycin D(1+) +is_a: CHEBI:64290 ! erythromycin cation + +[Term] +id: CHEBI:63679 +name: [4)-beta-D-GlcA-(1->4)-beta-D-GlcA2(or 3)Ac-(1->4)-beta-D-Glc-(1->4)-[(R)-4,6-CH3(COO(-))C-beta-D-Gal3(or 2)OHb-(1->3)-(S)-4,6-CH3(COO(-))C-beta-D-Glc-(1->4)-beta-D-Glc-(1->4)-beta-D-Glc-(1->6)]-alpha-DGlc2(or 3)Ac-(1->]n +is_a: CHEBI:62196 ! polysaccharide acid oxoanion + +[Term] +id: CHEBI:63680 +name: CMP-pseudaminate +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:63682 +name: (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63683 +name: (13E)-labda-7,13-dien-15-ol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid + +[Term] +id: CHEBI:63689 +name: P(1),P(6)-bis(5'-adenosyl)hexaphosphate +is_a: CHEBI:63736 ! diadenosyl hexaphosphate +relationship: has_role CHEBI:50514 ! vasoconstrictor agent + +[Term] +id: CHEBI:63690 +name: (1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate +is_a: CHEBI:58607 ! 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate + +[Term] +id: CHEBI:63692 +name: 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:63693 +name: (2Z,4Z)-2-hydroxyhexa-2,4-dienoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63694 +name: D-synephrine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:63696 +name: gamma-curcumene +is_a: CHEBI:33654 ! alicyclic compound +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:63701 +name: (-)-alpha-cuprenene +is_a: CHEBI:33654 ! alicyclic compound +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:63702 +name: avermitilol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound + +[Term] +id: CHEBI:63703 +name: (-)-delta-cadinene +is_a: CHEBI:140564 ! delta-cadinene +is_a: CHEBI:22976 ! cadinene + +[Term] +id: CHEBI:63704 +name: (+)-Tau-muurolol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:22975 ! cadinane sesquiterpenoid + +[Term] +id: CHEBI:63707 +name: syn-labda-8(17),12E,14-triene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:63708 +name: isopimara-8(14),15-diene +is_a: CHEBI:35190 ! diterpene +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63709 +name: bicyclogermacrene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63710 +name: 7-epi-sesquithujene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63711 +name: sesquithujene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63712 +name: baruol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63714 +name: 7-methylguanosine 5'-diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63715 +name: 8-oxo-dGDP(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63726 +name: neuroprotective agent +is_a: CHEBI:50267 ! protective agent + +[Term] +id: CHEBI:63727 +name: cis-4-hydroxy-L-proline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:63728 +name: 8-oxo-dGDP +is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate + +[Term] +id: CHEBI:63729 +name: 7-methylguanosine 5'-diphosphate +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:37121 ! guanosine 5'-phosphate + +[Term] +id: CHEBI:63730 +name: 7-methylguanosine 5'-diphosphate(1+) +is_a: CHEBI:37121 ! guanosine 5'-phosphate + +[Term] +id: CHEBI:63731 +name: 9beta-pimara-7,15-dien-19-oic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:49192 ! pimarane diterpenoid + +[Term] +id: CHEBI:63732 +name: 1,1-diol +is_a: CHEBI:30879 ! alcohol + +[Term] +id: CHEBI:63733 +name: aldehyde hydrate +is_a: CHEBI:63732 ! 1,1-diol + +[Term] +id: CHEBI:63734 +name: ketone hydrate +is_a: CHEBI:63732 ! 1,1-diol + +[Term] +id: CHEBI:63735 +name: (2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid +is_a: CHEBI:33823 ! enol +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:63736 +name: diadenosyl hexaphosphate +is_a: CHEBI:64603 ! diadenosyl polyphosphate + +[Term] +id: CHEBI:63737 +name: diadenosyl pentaphosphate +is_a: CHEBI:64603 ! diadenosyl polyphosphate + +[Term] +id: CHEBI:63738 +name: diadenosyl tetraphosphate +is_a: CHEBI:64603 ! diadenosyl polyphosphate + +[Term] +id: CHEBI:63739 +name: diadenosyl triphosphate +is_a: CHEBI:64603 ! diadenosyl polyphosphate + +[Term] +id: CHEBI:63740 +name: P(1),P(6)-bis(5'-adenosyl)hexaphosphate(6-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63741 +name: 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:46640 ! diketone +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:63742 +name: (1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid +is_a: CHEBI:29086 ! 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid + +[Term] +id: CHEBI:63743 +name: dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose +is_a: CHEBI:23557 ! dTDP-sugar + +[Term] +id: CHEBI:63746 +name: TRIBOA +is_a: CHEBI:23445 ! cyclic hydroxamic acid +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:46969 ! benzoxazine + +[Term] +id: CHEBI:63749 +name: (+)-artemisinic acid +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63750 +name: (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:36772 ! diterpenyl phosphate + +[Term] +id: CHEBI:63775 +name: 1,2-dioleoyl-3-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:17615 ! 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:63887 ! 1,2-dioleoyl-3-beta-D-galactosylglycerol + +[Term] +id: CHEBI:63778 +name: CMP-pseudaminic acid +is_a: CHEBI:20878 ! CMP-sugar + +[Term] +id: CHEBI:63779 +name: alpha-D-Gal-(1->2)-alpha-D-Glc-(1->3')-1,2-diacylglycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:63786 +name: beta-D-Glc-(1->6)-beta-D-Glc-(1->3')-1,2-diacylglycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:63788 +name: alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3')-1,2-diacylglycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:63790 +name: glyco-amino-acid anion +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:63794 +name: retinoid X receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:63795 +name: all-trans-4-hydroxyretinoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26537 ! retinoid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:63796 +name: N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion + +[Term] +id: CHEBI:63801 +name: N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine +is_a: CHEBI:25095 ! L-lysine derivative + +[Term] +id: CHEBI:63803 +name: (E)-2,3-didehydropristanoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA + +[Term] +id: CHEBI:63813 +name: adenosine 5'-pentaphosphate(6-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:63818 +name: 1-hexadecyl-sn-glycerol 3-phosphate +is_a: CHEBI:17106 ! 1-alkyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:63821 +name: (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:63823 +name: 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oate +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:63837 +name: pregn-5-ene-3,20-dione +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47907 ! 3-oxo-Delta(5)-steroid +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:63838 +name: (24S)-7alpha,24-dihydroxycholest-4-en-3-one +is_a: CHEBI:48701 ! 7alpha,24-dihydroxycholest-4-en-3-one + +[Term] +id: CHEBI:63844 +name: 4-carboxyzymosterol +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47891 ! steroid acid + +[Term] +id: CHEBI:63856 +name: 4,8-dimethylnonanoyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:63862 +name: 3'-N-debenzoyltaxol +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50367 ! taxane diterpenoid +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:52557 ! tetracyclic diterpenoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63863 +name: 3'-N-debenzoyltaxol(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:63864 +name: 4,8-dimethylnonanoic acid +is_a: CHEBI:35819 ! branched-chain fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid + +[Term] +id: CHEBI:63867 +name: N-(hexanoyl)sphing-4-enine +is_a: CHEBI:52639 ! N-acylsphingosine + +[Term] +id: CHEBI:63887 +name: 1,2-dioleoyl-3-beta-D-galactosylglycerol +is_a: CHEBI:61799 ! beta-D-galactopyranosyl diglyceride + +[Term] +id: CHEBI:63891 +name: 3-oxopristanic acid +is_a: CHEBI:134416 ! 3-oxo fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid + +[Term] +id: CHEBI:63892 +name: zerumbone +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:140922 ! glioma-associated oncogene inhibitor +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:63893 +name: 8-hydroxy-alpha-humulene +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:63894 +name: pivalate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:63900 +name: 3,16-dihydroxypalmitic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid + +[Term] +id: CHEBI:63902 +name: (+)-thujan-3-ol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:50041 ! thujane monoterpenoid + +[Term] +id: CHEBI:63904 +name: 3,16-dihydroxypalmitate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion + +[Term] +id: CHEBI:63906 +name: cholest-5-en-3-one +is_a: CHEBI:47907 ! 3-oxo-Delta(5)-steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63912 +name: 19-hydroxyprostaglandin H2 +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26344 ! prostaglandins H +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:61121 ! oxylipin +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:63931 +name: L-erythro-biopterin +is_a: CHEBI:15373 ! biopterin + +[Term] +id: CHEBI:63932 +name: EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor +is_a: CHEBI:76847 ! EC 1.14.16.* (oxidoreductase acting on paired donors, reduced pteridine as one donor, incorporating 1 atom of oxygen) inhibitor + +[Term] +id: CHEBI:63933 +name: Aroclor 1254 +is_a: CHEBI:60004 ! mixture +relationship: has_part CHEBI:53156 ! polychlorobiphenyl +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50910 ! neurotoxin + +[Term] +id: CHEBI:63944 +name: macrocyclic lactone +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:51026 ! macrocycle + +[Term] +id: CHEBI:63947 +name: 2,2'-disulfoazobenzene +is_a: CHEBI:22682 ! azobenzenes +is_a: CHEBI:33555 ! arenesulfonic acid + +[Term] +id: CHEBI:63950 +name: 2,2'-disulfonatoazobenzene +is_a: CHEBI:22713 ! arenesulfonate oxoanion + +[Term] +id: CHEBI:63951 +name: estrogen receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:63953 +name: 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine +is_a: CHEBI:33555 ! arenesulfonic acid +is_a: CHEBI:38170 ! diamino-1,3,5-triazine + +[Term] +id: CHEBI:63954 +name: ionomycin +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:33823 ! enol +is_a: CHEBI:37407 ! cyclic ether +relationship: has_role CHEBI:22986 ! calcium ionophore +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63955 +name: 2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine +is_a: CHEBI:22713 ! arenesulfonate oxoanion +is_a: CHEBI:38170 ! diamino-1,3,5-triazine + +[Term] +id: CHEBI:63962 +name: Hsp90 inhibitor +is_a: CHEBI:76939 ! EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor + +[Term] +id: CHEBI:63966 +name: (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:64005 ! DHET +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:63969 +name: (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid +is_a: CHEBI:64005 ! DHET +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:63970 +name: (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:64005 ! DHET +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:63976 +name: 13,14-dihydro-15-keto-PGF2alpha +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:36066 ! prostaglandins Falpha +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63977 +name: 12S-HHTrE +is_a: CHEBI:72783 ! 12-HHTrE + +[Term] +id: CHEBI:63979 +name: 20-oxoleukotriene B4 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:50413 ! hydroxyaldehyde +is_a: CHEBI:76328 ! omega-oxo fatty acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63981 +name: 6-trans-leukotriene B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:63982 +name: Delta(6)-trans-12-epi-leukotriene B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid + +[Term] +id: CHEBI:63983 +name: eoxin A4 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:61121 ! oxylipin +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:63989 +name: 15(R)-HETE +is_a: CHEBI:64017 ! (5Z,8Z,11Z,13E)-15-HETE + +[Term] +id: CHEBI:63992 +name: 15-oxolipoxin A4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59644 ! oxo fatty acid +is_a: CHEBI:6497 ! lipoxin + +[Term] +id: CHEBI:63993 +name: 13,14-dihydro-15-oxolipoxin A4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:59644 ! oxo fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:63994 +name: 16-HETE +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:36275 ! HETE + +[Term] +id: CHEBI:63995 +name: 17-HETE +is_a: CHEBI:36275 ! HETE + +[Term] +id: CHEBI:63998 +name: 19-HETE +is_a: CHEBI:36275 ! HETE + +[Term] +id: CHEBI:64005 +name: DHET +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:73155 ! trienoic fatty acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64006 +name: (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoic acid +is_a: CHEBI:64008 ! (8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid + +[Term] +id: CHEBI:64007 +name: EET +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:61498 ! epoxy fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor + +[Term] +id: CHEBI:64008 +name: (8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid + +[Term] +id: CHEBI:64009 +name: hydroperoxy fatty acid +is_a: CHEBI:35366 ! fatty acid + +[Term] +id: CHEBI:64011 +name: (3Z)-2-oxohex-3-enedioate +is_a: CHEBI:64928 ! 2-oxohex-3-enedioate + +[Term] +id: CHEBI:64012 +name: hydroperoxy fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion + +[Term] +id: CHEBI:64014 +name: (5Z,8Z,10E,12E)-icosatetraenoic acid +is_a: CHEBI:36033 ! icosatetraenoic acid + +[Term] +id: CHEBI:64016 +name: (2E,4Z)-2-hydroxymuconate(2-) +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion + +[Term] +id: CHEBI:64017 +name: (5Z,8Z,11Z,13E)-15-HETE +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:64018 +name: protein kinase C agonist +is_a: CHEBI:64106 ! protein kinase agonist + +[Term] +id: CHEBI:64023 +name: 1-palmitoylglycerol 3-phosphate +is_a: CHEBI:76629 ! 2-lysophosphatidic acid + +[Term] +id: CHEBI:64031 +name: (3E)-2-oxohex-3-enedioic acid +is_a: CHEBI:64927 ! 2-oxohex-3-enedioic acid + +[Term] +id: CHEBI:64032 +name: linoleoyl ethanolamide +is_a: CHEBI:134159 ! N-acylethanolamine 18:2 +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:64033 ! EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor + +[Term] +id: CHEBI:64033 +name: EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor +is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor + +[Term] +id: CHEBI:64037 +name: (2E,4Z)-2-hydroxymuconic acid +is_a: CHEBI:24553 ! hexadienedioic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid + +[Term] +id: CHEBI:64038 +name: (3Z)-2-oxohex-3-enedioic acid +is_a: CHEBI:64927 ! 2-oxohex-3-enedioic acid + +[Term] +id: CHEBI:64039 +name: (2S)-pristanoyl-CoA +is_a: CHEBI:51341 ! pristanoyl-CoA + +[Term] +id: CHEBI:64047 +name: food additive +is_a: CHEBI:33232 ! application +is_a: CHEBI:78295 ! food component + +[Term] +id: CHEBI:64049 +name: food acidity regulator +is_a: CHEBI:64047 ! food additive + +[Term] +id: CHEBI:64074 +name: (S)-NADHX(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:64075 +name: (R)-NADHX(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:64076 +name: (S)-NADPHX(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:64077 +name: (R)-NADPHX(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:64084 +name: (S)-NADPHX +is_a: CHEBI:26916 ! tetrahydronicotinamide adenine dinucleotide +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:64085 +name: (R)-NADPHX +is_a: CHEBI:26916 ! tetrahydronicotinamide adenine dinucleotide +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:64090 +name: tert-butyl hydroperoxide +is_a: CHEBI:61050 ! alkyl hydroperoxide +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:63248 ! oxidising agent + +[Term] +id: CHEBI:64106 +name: protein kinase agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:64120 +name: M-factor +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:25676 ! oligopeptide +is_a: CHEBI:38579 ! peptide pheromone + +[Term] +id: CHEBI:64121 +name: P-factor +is_a: CHEBI:15841 ! polypeptide +is_a: CHEBI:25905 ! peptide hormone +is_a: CHEBI:33694 ! biomacromolecule + +[Term] +id: CHEBI:64124 +name: phytosphingosine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) + +[Term] +id: CHEBI:64130 +name: pyrazinoindole +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:64133 +name: EC 2.5.1.58 (protein farnesyltransferase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor + +[Term] +id: CHEBI:64136 +name: 4-hydroxy-3-all-trans-decaprenylbenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:78840 ! olefinic compound + +[Term] +id: CHEBI:64152 +name: cysteine protease inhibitor +is_a: CHEBI:37670 ! protease inhibitor +is_a: CHEBI:76796 ! EC 3.4.22.* (cysteine endopeptidase) inhibitor + +[Term] +id: CHEBI:64161 +name: asperthecin +is_a: CHEBI:132198 ! pentahydroxyanthraquinone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:64178 +name: (2S)-2-amino-3-oxo-4-(phosphonatooxy)butanoate(3-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64180 +name: 2-decaprenyl-6-methoxyhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:26253 ! polyprenylhydroquinone + +[Term] +id: CHEBI:64181 +name: 2-decaprenyl-6-methoxy-3-methylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:26253 ! polyprenylhydroquinone + +[Term] +id: CHEBI:64182 +name: 3-demethylubiquinol-10 +is_a: CHEBI:84422 ! 3-demethylubiquinol + +[Term] +id: CHEBI:64183 +name: ubiquinol-10 +is_a: CHEBI:17976 ! ubiquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:59163 ! biomarker + +[Term] +id: CHEBI:64186 +name: (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid +is_a: CHEBI:16273 ! 2-amino-3-oxo-4-(phosphonooxy)butanoic acid + +[Term] +id: CHEBI:64220 +name: monosodium glutamate +is_a: CHEBI:38700 ! organic sodium salt +relationship: has_part CHEBI:14321 ! glutamate(1-) + +[Term] +id: CHEBI:64221 +name: (3R,6S)-6-hydroxy-3,7-dimethyloctanoate +is_a: CHEBI:64223 ! 6-hydroxy-3,7-dimethyloctanoate + +[Term] +id: CHEBI:64223 +name: 6-hydroxy-3,7-dimethyloctanoate +is_a: CHEBI:59835 ! hydroxy fatty acid anion + +[Term] +id: CHEBI:64224 +name: 6-hydroxy-3-isopropenylheptanoate +is_a: CHEBI:58955 ! branched-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion + +[Term] +id: CHEBI:64225 +name: (3R,6R)-6-hydroxy-3-isopropenylheptanoate +is_a: CHEBI:64224 ! 6-hydroxy-3-isopropenylheptanoate + +[Term] +id: CHEBI:64226 +name: (3S,6R)-6-hydroxy-3-isopropenylheptanoate +is_a: CHEBI:64224 ! 6-hydroxy-3-isopropenylheptanoate + +[Term] +id: CHEBI:64228 +name: tunicamycin A0 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64229 +name: 6-isopropenyl-3-methyloxepan-2-one +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:37668 ! terpene lactone +is_a: CHEBI:50239 ! epsilon-lactone + +[Term] +id: CHEBI:64230 +name: (3R,6S)-6-isopropenyl-3-methyloxepan-2-one +is_a: CHEBI:64229 ! 6-isopropenyl-3-methyloxepan-2-one + +[Term] +id: CHEBI:64232 +name: (3S,6R)-6-isopropenyl-3-methyloxepan-2-one +is_a: CHEBI:64229 ! 6-isopropenyl-3-methyloxepan-2-one + +[Term] +id: CHEBI:64234 +name: 3-isopropenyl-6-oxoheptanoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:64235 +name: (6E)-8-hydroxygeraniol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:26244 ! prenols + +[Term] +id: CHEBI:64236 +name: (6E)-8-oxogeraniol +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:26244 ! prenols +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:64237 +name: EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor +is_a: CHEBI:76816 ! EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor + +[Term] +id: CHEBI:64238 +name: (6E)-8-hydroxygeranial +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:26244 ! prenols +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:64239 +name: (6E)-8-oxogeranial +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:38124 ! dialdehyde +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:64240 +name: L-threo-7,8-dihydrobiopterin +is_a: CHEBI:64277 ! 7,8-dihydrobiopterin + +[Term] +id: CHEBI:64241 +name: (6R)-L-threo-tetrahydrobiopterin +is_a: CHEBI:15372 ! 5,6,7,8-tetrahydrobiopterin + +[Term] +id: CHEBI:64243 +name: monosodium L-glutamate +is_a: CHEBI:64220 ! monosodium glutamate +relationship: has_part CHEBI:29985 ! L-glutamate(1-) +relationship: has_role CHEBI:35617 ! flavouring agent + +[Term] +id: CHEBI:64244 +name: monosodium D-glutamate +is_a: CHEBI:64220 ! monosodium glutamate +relationship: has_part CHEBI:29986 ! D-glutamate(1-) + +[Term] +id: CHEBI:64245 +name: tunicamycin A1 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64246 +name: tunicamycin A2 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64247 +name: (3R,6R)-6-hydroxy-3-isopropenylheptanoic acid +is_a: CHEBI:50452 ! 6-hydroxy-3-isopropenylheptanoic acid + +[Term] +id: CHEBI:64248 +name: tunicamycin B1 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64249 +name: (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid +is_a: CHEBI:50452 ! 6-hydroxy-3-isopropenylheptanoic acid + +[Term] +id: CHEBI:64250 +name: tunicamycin B2 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64252 +name: cyclic dehypoxanthinylfutalosine +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:37948 ! oxaspiro compound + +[Term] +id: CHEBI:64253 +name: 3-demethylubiquinol-6 +is_a: CHEBI:84422 ! 3-demethylubiquinol + +[Term] +id: CHEBI:64254 +name: 1,4-dihydroxy-6-naphthoate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:64255 +name: tunicamycin B3 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64256 +name: tunicamycin C1 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64257 +name: tunicamycin C2 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64258 +name: erythromycin C(1+) +is_a: CHEBI:64290 ! erythromycin cation + +[Term] +id: CHEBI:64259 +name: (6E)-8-oxolinalool +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:64260 +name: aminodeoxyfutalosine +is_a: CHEBI:22260 ! adenosines +is_a: CHEBI:22723 ! benzoic acids + +[Term] +id: CHEBI:64261 +name: lupanine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:64262 +name: 17-hydroxylupanine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:64263 +name: 5-guanidino-3-methyl-2-oxopentanoic acid zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:64264 +name: 3-isopropenyl-6-oxoheptanoic acid +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid + +[Term] +id: CHEBI:64265 +name: (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid +is_a: CHEBI:50451 ! 6-hydroxy-3,7-dimethyloctanoic acid + +[Term] +id: CHEBI:64266 +name: tricyclene +is_a: CHEBI:35187 ! monoterpene + +[Term] +id: CHEBI:64267 +name: 5-methyltetrahydrosarcinapterin(4-) +is_a: CHEBI:35753 ! tricarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64268 +name: erythromycin A(1+) +is_a: CHEBI:64290 ! erythromycin cation +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:64270 +name: cyclic dehypoxanthinylfutalosinate(1-) +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:64271 +name: tunicamycin D1 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64272 +name: tunicamycin D2 +is_a: CHEBI:33838 ! nucleoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:64273 +name: erythromycin C +is_a: CHEBI:48923 ! erythromycin + +[Term] +id: CHEBI:64274 +name: 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:37668 ! terpene lactone +is_a: CHEBI:50239 ! epsilon-lactone + +[Term] +id: CHEBI:64277 +name: 7,8-dihydrobiopterin +is_a: CHEBI:22881 ! biopterins +is_a: CHEBI:38797 ! dihydropterin + +[Term] +id: CHEBI:64278 +name: Reactive Blue 5 quinol form(3-) +is_a: CHEBI:33554 ! organosulfonate oxoanion + +[Term] +id: CHEBI:64279 +name: erythromycin B(1+) +is_a: CHEBI:64290 ! erythromycin cation + +[Term] +id: CHEBI:64280 +name: (E)-beta-ocimene +is_a: CHEBI:10436 ! beta-ocimene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:64282 +name: (Z)-biformene +is_a: CHEBI:35190 ! diterpene + +[Term] +id: CHEBI:64283 +name: copal-8-ol diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64284 +name: 1,4-dihydroxy-6-naphthoic acid +is_a: CHEBI:23783 ! naphthalenediols +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:51475 ! naphthohydroquinone + +[Term] +id: CHEBI:64285 +name: (-)-bornyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64286 +name: aminodeoxyfutalosinate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:64287 +name: 17-hydroxylupanine +is_a: CHEBI:26515 ! quinolizidine alkaloid +is_a: CHEBI:73080 ! hemiaminal + +[Term] +id: CHEBI:64288 +name: 5-guanidino-3-methyl-2-oxopentanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +relationship: has_part CHEBI:48551 ! guanidino group + +[Term] +id: CHEBI:64289 +name: 5-methyltetrahydrosarcinapterin +is_a: CHEBI:26914 ! tetrahydromethanopterin + +[Term] +id: CHEBI:64290 +name: erythromycin cation +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:64291 +name: Reactive Blue 5 quinol form +is_a: CHEBI:33555 ! arenesulfonic acid +is_a: CHEBI:38168 ! chloro-1,3,5-triazine +is_a: CHEBI:38170 ! diamino-1,3,5-triazine +is_a: CHEBI:46955 ! anthracenes +relationship: has_role CHEBI:37958 ! dye + +[Term] +id: CHEBI:64292 +name: coniferyl ester +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:64293 +name: copal-8-ol diphosphate +is_a: CHEBI:36770 ! labdane diterpenoid +is_a: CHEBI:36772 ! diterpenyl phosphate + +[Term] +id: CHEBI:64294 +name: 7-ketocholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47789 ! 7-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:63726 ! neuroprotective agent + +[Term] +id: CHEBI:64298 +name: (-)-bornyl diphosphate +is_a: CHEBI:22912 ! bornane monoterpenoid +is_a: CHEBI:25412 ! monoterpenyl phosphate + +[Term] +id: CHEBI:64302 +name: cyanamide(2-) +is_a: CHEBI:50335 ! organic nitrogen anion + +[Term] +id: CHEBI:64307 +name: 2,4-diaminobutyric acid +is_a: CHEBI:33707 ! gamma-amino acid +is_a: CHEBI:35987 ! diamino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:64315 +name: 4-demethylwyosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:64328 +name: lysidine +is_a: CHEBI:23524 ! cytidines +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:64335 +name: N(1)-aminopropylagmatine(3+) +is_a: CHEBI:60251 ! guanidinium ion + +[Term] +id: CHEBI:64339 +name: N(1)-aminoaminopropylagmatine +is_a: CHEBI:24436 ! guanidines + +[Term] +id: CHEBI:64344 +name: 2',4',6'-trihydroxyacetophenone +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:64345 ! MALDI matrix material +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:64345 +name: MALDI matrix material +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:64351 +name: beta-D-Manp-(1->4)-D-Glcp +is_a: CHEBI:24405 ! glycosylglucose +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:64353 +name: UDP-N-acetyl-alpha-D-glucosamine 3-phosphate(4-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:64361 +name: beta-sesquiphellandrene +is_a: CHEBI:33654 ! alicyclic compound +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:64362 +name: UDP-N-acetyl-alpha-D-glucosamine 3-phosphate +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:64365 +name: aralkylamino compound +is_a: CHEBI:50047 ! organic amino compound + +[Term] +id: CHEBI:64368 +name: 3-hydroxyproline +is_a: CHEBI:86499 ! monohydroxyproline + +[Term] +id: CHEBI:64372 +name: emericellamide +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:35213 ! cyclodepsipeptide +is_a: CHEBI:46895 ! lipopeptide +is_a: CHEBI:63944 ! macrocyclic lactone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64373 +name: emericellamide A +is_a: CHEBI:64372 ! emericellamide + +[Term] +id: CHEBI:64379 +name: 1-acyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:68497 ! lysophosphatidylserine(1-) +is_a: CHEBI:78213 ! 1-acylglycero-3-phospho-L-serine(1-) + +[Term] +id: CHEBI:64381 +name: 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion +is_a: CHEBI:78170 ! 1-acylglycerophosphoethanolamine zwitterion + +[Term] +id: CHEBI:64396 +name: 1-oleyl-sn-glycero-3-phosphocholine +is_a: CHEBI:30909 ! 1-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64591 ! lysophosphatidylcholine O-18:1 + +[Term] +id: CHEBI:64397 +name: asperfuranone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38831 ! 2-benzofurans +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:64398 +name: monodictyphenone +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:22726 ! benzophenones +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64405 +name: F-9775A +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38164 ! organic heteropentacyclic compound +relationship: has_role CHEBI:64406 ! EC 3.4.22.38 (cathepsin K) inhibitor +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:64406 +name: EC 3.4.22.38 (cathepsin K) inhibitor +is_a: CHEBI:64152 ! cysteine protease inhibitor +is_a: CHEBI:76796 ! EC 3.4.22.* (cysteine endopeptidase) inhibitor + +[Term] +id: CHEBI:64409 +name: F-9775B +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38164 ! organic heteropentacyclic compound +relationship: has_role CHEBI:64406 ! EC 3.4.22.38 (cathepsin K) inhibitor +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:64410 +name: gerfelin +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:64411 ! EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor + +[Term] +id: CHEBI:64411 +name: EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor + +[Term] +id: CHEBI:64413 +name: diorcinol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64415 +name: violaceol I +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:64416 +name: EC 1.3.1.43 (arogenate dehydrogenase) inhibitor +is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor + +[Term] +id: CHEBI:64417 +name: violaceol II +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:64418 +name: austinol +is_a: CHEBI:64419 ! meroterpenoid + +[Term] +id: CHEBI:64419 +name: meroterpenoid +is_a: CHEBI:36963 ! organooxygen compound +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64421 +name: dehydroaustinol +is_a: CHEBI:64419 ! meroterpenoid + +[Term] +id: CHEBI:64423 +name: phosphatidylcholine 34:4 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64424 +name: phosphatidylcholine 34:3 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite + +[Term] +id: CHEBI:64426 +name: cyclitol ester +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:64427 +name: phosphatidyl-N,N-dimethylethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:64428 +name: H group +is_a: CHEBI:33246 ! inorganic group + +[Term] +id: CHEBI:64429 +name: chanoclavine-I aldehyde +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:51688 ! enal +is_a: CHEBI:51959 ! organic tricyclic compound + +[Term] +id: CHEBI:64433 +name: phosphatidylcholine 36:2 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64436 +name: arugosin +is_a: CHEBI:36963 ! organooxygen compound +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64448 +name: arsonate(1-) +is_a: CHEBI:35776 ! arsenic oxoanion + +[Term] +id: CHEBI:64450 +name: endocrocin +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37488 ! trihydroxyanthraquinone +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64454 +name: (+)-kotanin +is_a: CHEBI:64462 ! 8,8'-bicoumarins +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64459 +name: biaryl +is_a: CHEBI:33659 ! organic aromatic compound + +[Term] +id: CHEBI:64461 +name: bicoumarin +is_a: CHEBI:38104 ! oxacycle +is_a: CHEBI:64459 ! biaryl + +[Term] +id: CHEBI:64462 +name: 8,8'-bicoumarins +is_a: CHEBI:64461 ! bicoumarin + +[Term] +id: CHEBI:64465 +name: demethylkotanin +is_a: CHEBI:64462 ! 8,8'-bicoumarins +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64473 +name: orlandin +is_a: CHEBI:64462 ! 8,8'-bicoumarins +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:64474 +name: p-hydroxyphenyl lignin +is_a: CHEBI:6457 ! lignin + +[Term] +id: CHEBI:64475 +name: guaiacyl lignin +is_a: CHEBI:6457 ! lignin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:64476 +name: syringal lignin +is_a: CHEBI:6457 ! lignin +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:64477 +name: monolignol +is_a: CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:64479 +name: O-(pantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:64480 +name: phosphatidylcholine O-38:4 +is_a: CHEBI:68489 ! alkyl,acyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64482 +name: phosphatidylcholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:36313 ! glycerophosphocholine + +[Term] +id: CHEBI:64483 +name: lysophosphatidylcholine 14:0 +is_a: CHEBI:60479 ! lysophosphatidylcholine + +[Term] +id: CHEBI:64489 +name: 1-myristoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64483 ! lysophosphatidylcholine 14:0 +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:64492 +name: ferricrocin +is_a: CHEBI:61414 ! ferrichromes +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64493 +name: sarcinapterin +is_a: CHEBI:37669 ! methanopterins + +[Term] +id: CHEBI:64494 +name: tatiopterin +is_a: CHEBI:26375 ! pterins + +[Term] +id: CHEBI:64496 +name: lysophosphatidylcholine O-16:0/0:0 +is_a: CHEBI:30909 ! 1-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64593 ! lysophosphatidylcholine O-16:0 +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64497 +name: cspyrone B1 +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:75885 ! 2-pyranones +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:64499 +name: shamixanthone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:64515 ! pyranoxanthene +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64502 +name: 1-heptadecene +is_a: CHEBI:32878 ! alkene +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:75767 ! animal metabolite + +[Term] +id: CHEBI:64503 +name: nonadec-1-ene +is_a: CHEBI:32878 ! alkene +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:64504 +name: phosphatidylcholine 36:5 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64506 +name: (Z)-nonadeca-1,14-diene +is_a: CHEBI:33646 ! alkadiene + +[Term] +id: CHEBI:64507 +name: 18-methylnonadec-1-ene +is_a: CHEBI:32878 ! alkene + +[Term] +id: CHEBI:64508 +name: 17-methylnonadec-1-ene +is_a: CHEBI:32878 ! alkene + +[Term] +id: CHEBI:64509 +name: oxapenam +is_a: CHEBI:35627 ! beta-lactam + +[Term] +id: CHEBI:64510 +name: carbapenam +is_a: CHEBI:35627 ! beta-lactam + +[Term] +id: CHEBI:64512 +name: emericellin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:51149 ! xanthones +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64514 +name: sarcinapterin(4-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64515 +name: pyranoxanthene +is_a: CHEBI:38163 ! organic heterotetracyclic compound + +[Term] +id: CHEBI:64516 +name: phosphatidylcholine 34:2 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64517 +name: phosphatidylcholine 34:1 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64518 +name: cordyol C +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38068 ! antimalarial +relationship: has_role CHEBI:64912 ! antimycobacterial drug +relationship: has_role CHEBI:64953 ! anti-HSV-1 agent + +[Term] +id: CHEBI:64519 +name: phosphatidylcholine 38:6 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64520 +name: phosphatidylcholine 36:4 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:64522 +name: averantin +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:64523 +name: phosphatidylcholine 36:3 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64525 +name: phosphatidylcholine 38:5 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite + +[Term] +id: CHEBI:64526 +name: phosphatidylcholine 38:4 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64530 +name: brevianamide F +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:48337 ! pyrrolopyrazine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64531 +name: fumitremorgin B +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38958 ! indole alkaloid +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:64532 +name: dihydroxytoluene +is_a: CHEBI:24751 ! hydroxytoluene +is_a: CHEBI:33570 ! benzenediols + +[Term] +id: CHEBI:64534 +name: terrequinone A +is_a: CHEBI:51879 ! bisindole alkaloid +is_a: CHEBI:67273 ! monohydroxy-1,4-benzoquinones +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:64535 +name: pseurotin A +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:35624 ! azaspiro compound +is_a: CHEBI:37948 ! oxaspiro compound +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64542 +name: naphtho-gamma-pyrone +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:86027 ! naphthopyran + +[Term] +id: CHEBI:64543 +name: fonsecin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:59780 ! cyclic hemiketal +is_a: CHEBI:59872 ! heptaketide +is_a: CHEBI:64542 ! naphtho-gamma-pyrone +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:64545 +name: fumiquinazoline +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38166 ! organic heteropolycyclic compound +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:64546 +name: fumiquinazoline A +is_a: CHEBI:64545 ! fumiquinazoline +is_a: CHEBI:64547 ! imidazoindole +is_a: CHEBI:64548 ! pyrazinoquinazoline + +[Term] +id: CHEBI:64547 +name: imidazoindole +is_a: CHEBI:26979 ! organic heterotricyclic compound + +[Term] +id: CHEBI:64548 +name: pyrazinoquinazoline +is_a: CHEBI:26979 ! organic heterotricyclic compound + +[Term] +id: CHEBI:64549 +name: lysophosphatidylcholine 18:2 +is_a: CHEBI:60479 ! lysophosphatidylcholine + +[Term] +id: CHEBI:64550 +name: fumiquinazoline F +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:64545 ! fumiquinazoline +is_a: CHEBI:64548 ! pyrazinoquinazoline + +[Term] +id: CHEBI:64551 +name: fumiquinazoline C +is_a: CHEBI:35624 ! azaspiro compound +is_a: CHEBI:37948 ! oxaspiro compound +is_a: CHEBI:52157 ! organic heteroheptacyclic compound +is_a: CHEBI:64545 ! fumiquinazoline +is_a: CHEBI:64547 ! imidazoindole + +[Term] +id: CHEBI:64552 +name: 2-hydroxybutyrate +is_a: CHEBI:133791 ! 2-hydroxybutyrates +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:64553 +name: tatiopterin(5-) +is_a: CHEBI:35754 ! tetracarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64554 +name: tryptophan zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:64555 +name: trans-p-coumaryl alcohol +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:28386 ! 4-hydroxycinnamyl alcohol +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:64477 ! monolignol + +[Term] +id: CHEBI:64557 +name: trans-sinapyl alcohol +is_a: CHEBI:28813 ! sinapyl alcohol +relationship: has_role CHEBI:64477 ! monolignol + +[Term] +id: CHEBI:64558 +name: methionine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:64560 +name: lysophosphatidylcholine 16:1 +is_a: CHEBI:60479 ! lysophosphatidylcholine + +[Term] +id: CHEBI:64561 +name: lysophosphatidylcholine 18:0 +is_a: CHEBI:60479 ! lysophosphatidylcholine + +[Term] +id: CHEBI:64563 +name: lysophosphatidylcholine 16:0 +is_a: CHEBI:60479 ! lysophosphatidylcholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64565 +name: lysophosphatidylcholine 18:3 +is_a: CHEBI:60479 ! lysophosphatidylcholine + +[Term] +id: CHEBI:64566 +name: lysophosphatidylcholine 18:1 +is_a: CHEBI:60479 ! lysophosphatidylcholine + +[Term] +id: CHEBI:64567 +name: lysophosphatidylcholine 22:6 +is_a: CHEBI:60479 ! lysophosphatidylcholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64568 +name: lysophosphatidylcholine 20:4 +is_a: CHEBI:60479 ! lysophosphatidylcholine + +[Term] +id: CHEBI:64569 +name: lysophosphatidylethanolamine 20:4 +is_a: CHEBI:64574 ! lysophosphatidylethanolamine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:6457 +name: lignin +is_a: CHEBI:26196 ! polyphenylpropanoid + +[Term] +id: CHEBI:64570 +name: EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor +is_a: CHEBI:76874 ! EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor + +[Term] +id: CHEBI:64571 +name: NMDA receptor agonist +is_a: CHEBI:50103 ! excitatory amino acid agonist + +[Term] +id: CHEBI:64572 +name: 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:64573 +name: 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:64574 +name: lysophosphatidylethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine + +[Term] +id: CHEBI:64575 +name: lysophosphatidylethanolamine 18:1 +is_a: CHEBI:64574 ! lysophosphatidylethanolamine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64576 +name: lysophosphatidylethanolamine 18:0 +is_a: CHEBI:64574 ! lysophosphatidylethanolamine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64577 +name: flour treatment agent +is_a: CHEBI:64047 ! food additive + +[Term] +id: CHEBI:64583 +name: sphingomyelin +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:35786 ! phosphosphingolipid +is_a: CHEBI:36700 ! phosphocholines + +[Term] +id: CHEBI:64584 +name: uremic toxin +is_a: CHEBI:27026 ! toxin + +[Term] +id: CHEBI:64588 +name: glycine transporter 1 inhibitor +is_a: CHEBI:85425 ! glycine transporter inhibitor + +[Term] +id: CHEBI:64589 +name: glycine receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:64590 +name: monoalkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36313 ! glycerophosphocholine +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:78196 ! monoalkylglycerophosphocholine + +[Term] +id: CHEBI:64591 +name: lysophosphatidylcholine O-18:1 +is_a: CHEBI:64590 ! monoalkyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64593 +name: lysophosphatidylcholine O-16:0 +is_a: CHEBI:64590 ! monoalkyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64595 +name: 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine +is_a: CHEBI:17152 ! phosphatidyl-N,N-dimethylethanolamine + +[Term] +id: CHEBI:64596 +name: 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine +is_a: CHEBI:15958 ! phosphatidyl-N-methylethanolamine + +[Term] +id: CHEBI:64598 +name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one +is_a: CHEBI:23697 ! dichlorobenzene +is_a: CHEBI:25235 ! monomethoxybenzene +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:64672 ! differentiation-inducing factor +relationship: has_role CHEBI:62488 ! signalling molecule +relationship: has_role CHEBI:75763 ! eukaryotic metabolite + +[Term] +id: CHEBI:64599 +name: 4-amino-3-isothiazolidinone +is_a: CHEBI:48891 ! thiazolidinone + +[Term] +id: CHEBI:64600 +name: C21-steroid hormone +is_a: CHEBI:26764 ! steroid hormone +is_a: CHEBI:61313 ! C21-steroid + +[Term] +id: CHEBI:64602 +name: dermatan sulfate proteoglycan +is_a: CHEBI:37396 ! proteoglycan + +[Term] +id: CHEBI:64603 +name: diadenosyl polyphosphate +is_a: CHEBI:47885 ! dinucleotide + +[Term] +id: CHEBI:64604 +name: diphosphoinositol polyphosphate +is_a: CHEBI:24846 ! inositol phosphate + +[Term] +id: CHEBI:64606 +name: Fe3S4 iron-sulfur cluster +is_a: CHEBI:30408 ! iron-sulfur cluster + +[Term] +id: CHEBI:64607 +name: Fe4S4 iron-sulfur cluster +is_a: CHEBI:30408 ! iron-sulfur cluster + +[Term] +id: CHEBI:64608 +name: GDP-fucose +is_a: CHEBI:21167 ! GDP-hexose + +[Term] +id: CHEBI:64609 +name: dinitrosyl-iron complex +is_a: CHEBI:33892 ! iron coordination entity + +[Term] +id: CHEBI:64610 +name: tenocyclidine +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:26961 ! thiophenes +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:35337 ! central nervous system stimulant +relationship: has_role CHEBI:35499 ! hallucinogen +relationship: has_role CHEBI:60643 ! NMDA receptor antagonist +relationship: has_role CHEBI:63726 ! neuroprotective agent + +[Term] +id: CHEBI:64611 +name: ether lipid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:52575 ! alkylglycerol + +[Term] +id: CHEBI:64612 +name: 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:57613 ! phosphatidylethanolamine zwitterion + +[Term] +id: CHEBI:64615 +name: triacyl-sn-glycerol +is_a: CHEBI:17855 ! triglyceride + +[Term] +id: CHEBI:64616 +name: apiogalacturonan +is_a: CHEBI:18154 ! polysaccharide + +[Term] +id: CHEBI:64618 +name: phosphagen +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:51143 ! nitrogen molecular entity +is_a: CHEBI:83821 ! amino acid derivative + +[Term] +id: CHEBI:64620 +name: purine ribonucleoside bisphosphate +is_a: CHEBI:61078 ! purine nucleoside bisphosphate +is_a: CHEBI:61079 ! ribonucleoside bisphosphate + +[Term] +id: CHEBI:64621 +name: quercetin O-glucoside +is_a: CHEBI:76424 ! quercetin O-glycoside + +[Term] +id: CHEBI:64622 +name: reuteran +is_a: CHEBI:22385 ! alpha-D-glucan + +[Term] +id: CHEBI:64623 +name: saturated monocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid + +[Term] +id: CHEBI:64624 +name: microcin B17 +is_a: CHEBI:64627 ! microcin +relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor + +[Term] +id: CHEBI:64626 +name: teichuronic acid +is_a: CHEBI:60027 ! polymer + +[Term] +id: CHEBI:64627 +name: microcin +is_a: CHEBI:25903 ! peptide antibiotic + +[Term] +id: CHEBI:64628 +name: somatostatin +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:25905 ! peptide hormone + +[Term] +id: CHEBI:64629 +name: 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine +is_a: CHEBI:35338 ! amphetamines +is_a: CHEBI:37142 ! organoiodine compound +is_a: CHEBI:51681 ! dimethoxybenzene + +[Term] +id: CHEBI:64631 +name: indoleacetic acid conjugate +is_a: CHEBI:24828 ! indoles +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64632 +name: indoleacetic acid amide conjugate +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:64631 ! indoleacetic acid conjugate + +[Term] +id: CHEBI:64633 +name: indoleacetic acid ester conjugate +is_a: CHEBI:46939 ! indolyl carboxylate ester +is_a: CHEBI:64631 ! indoleacetic acid conjugate + +[Term] +id: CHEBI:64634 +name: kaempferol O-glucoside +is_a: CHEBI:50018 ! glycosyloxyflavone + +[Term] +id: CHEBI:64637 +name: O-polysaccharide +is_a: CHEBI:65212 ! polysaccharide derivative + +[Term] +id: CHEBI:64640 +name: hypusine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue + +[Term] +id: CHEBI:64641 +name: divalent inorganic cation +is_a: CHEBI:36915 ! inorganic cation + +[Term] +id: CHEBI:64642 +name: (3R)-3-methyl-D-ornithine(1+) +is_a: CHEBI:33703 ! amino-acid cation + +[Term] +id: CHEBI:64643 +name: N(6)-[(3R)-3-methyl-D-ornithyl]-L-lysine(2+) +is_a: CHEBI:60194 ! peptide cation + +[Term] +id: CHEBI:64645 +name: amyloid-beta +is_a: CHEBI:15841 ! polypeptide + +[Term] +id: CHEBI:64648 +name: enniatin +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:35213 ! cyclodepsipeptide +is_a: CHEBI:63944 ! macrocyclic lactone +relationship: has_role CHEBI:24869 ! ionophore +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:64668 +name: geranylgeranyl-chlorophyll a +is_a: CHEBI:28966 ! chlorophyll +is_a: CHEBI:33308 ! carboxylic ester + +[Term] +id: CHEBI:64669 +name: 2-hydroxy-3-methylbutyrate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:64670 +name: EC 1.8.1.9 (thioredoxin reductase) inhibitor +is_a: CHEBI:76869 ! EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor + +[Term] +id: CHEBI:64672 +name: differentiation-inducing factor +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:51683 ! methoxybenzenes +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:35224 ! effector +relationship: has_role CHEBI:75763 ! eukaryotic metabolite + +[Term] +id: CHEBI:64673 +name: fumigaclavine C +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64674 +name: 1,2-diacyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:16038 ! phosphatidylethanolamine + +[Term] +id: CHEBI:64675 +name: 2,6-dioxo-6-phenylhexa-3-enoate(1-) +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion + +[Term] +id: CHEBI:64676 +name: CDP-N,N-dimethylethanolamine +is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s +is_a: CHEBI:36711 ! phosphoethanolamine + +[Term] +id: CHEBI:64677 +name: daunorubicin(1+) +is_a: CHEBI:64678 ! anthracycline cation + +[Term] +id: CHEBI:64678 +name: anthracycline cation +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:64683 +name: 1-acyl-sn-glycerol +is_a: CHEBI:35759 ! 1-monoglyceride + +[Term] +id: CHEBI:64684 +name: 7-formamidino-7-deazaguanine(1+) +is_a: CHEBI:77718 ! carboxamidinium ion + +[Term] +id: CHEBI:64686 +name: 7-formamidino-7-deazaguanine +is_a: CHEBI:35359 ! carboxamidine +is_a: CHEBI:38670 ! pyrrolopyrimidine + +[Term] +id: CHEBI:64687 +name: 2,6-dioxo-6-phenylhexa-3-enoic acid +is_a: CHEBI:35951 ! dioxo monocarboxylic acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:64688 +name: artemisinic aldehyde +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:64689 +name: mycophenolic acid O-acyl-glucuronide +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:37581 ! gamma-lactone + +[Term] +id: CHEBI:64691 +name: (11R)-dihydroartemisinic aldehyde +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:26658 ! sesquiterpenoid + +[Term] +id: CHEBI:64692 +name: N(6)-[(3R)-3-methyl-D-ornithyl]-L-lysine +is_a: CHEBI:46761 ! dipeptide + +[Term] +id: CHEBI:64693 +name: (3R)-3-methyl-D-ornithine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:84113 ! D-isoleucine derivative + +[Term] +id: CHEBI:64694 +name: 3,4-dihydroxy-5-polyprenylbenzoate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:64702 +name: nucleotide-sulfate +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:36976 ! nucleotide + +[Term] +id: CHEBI:64704 +name: aspyridone A +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:38183 ! pyridone +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:64705 +name: aspyridone B +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:38183 ! pyridone +relationship: has_role CHEBI:76946 ! fungal metabolite + +[Term] +id: CHEBI:64708 +name: one-carbon compound +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:64709 +name: organic acid +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:64711 +name: purine nucleotide-sugar +is_a: CHEBI:25609 ! nucleotide-sugar + +[Term] +id: CHEBI:64712 +name: trivalent inorganic cation +is_a: CHEBI:36915 ! inorganic cation + +[Term] +id: CHEBI:64716 +name: 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:60523 ! phosphatidylglycerol(1-) + +[Term] +id: CHEBI:64717 +name: sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:61933 ! glycerophosphoglycerol(1-) + +[Term] +id: CHEBI:64718 +name: L-alaniniumyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:64719 +name: L-argininiumyl(2+) group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:6472 +name: lincomycin +is_a: CHEBI:23007 ! carbohydrate-containing antibiotic +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:35275 ! S-glycosyl compound +is_a: CHEBI:46770 ! pyrrolidinecarboxamide +is_a: CHEBI:84186 ! L-proline derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:64720 +name: L-alpha-aspartyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:64721 +name: L-alpha-glutamyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group + +[Term] +id: CHEBI:64722 +name: L-glutaminiumyl group +is_a: CHEBI:33715 ! N-terminal alpha-amino-acid residue + +[Term] +id: CHEBI:64723 +name: glyciniumyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:64726 +name: thioselenide +is_a: CHEBI:26628 ! selenium molecular entity +is_a: CHEBI:26835 ! sulfur molecular entity + +[Term] +id: CHEBI:64729 +name: glutathioselenol +is_a: CHEBI:24337 ! glutathione derivative +is_a: CHEBI:64726 ! thioselenide +relationship: has_part CHEBI:29775 ! selenol group +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:64731 +name: L-methioniniumyl group +is_a: CHEBI:78597 ! N-terminal alpha-amino-acid(1+) residue + +[Term] +id: CHEBI:64738 +name: L-seriniumyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:64739 +name: L-threoniniumyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:64741 +name: L-valiniumyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:64743 +name: 2-monolysocardiolipin(2-) +is_a: CHEBI:76529 ! glycerophosphoglycerophosphoglycerol(2-) + +[Term] +id: CHEBI:64744 +name: phytochelatin 2 +is_a: CHEBI:48545 ! pentapeptide +is_a: CHEBI:60836 ! phytochelatin + +[Term] +id: CHEBI:64745 +name: phytochelatin 3 +is_a: CHEBI:25676 ! oligopeptide +is_a: CHEBI:60836 ! phytochelatin + +[Term] +id: CHEBI:64747 +name: phytochelatin 4 +is_a: CHEBI:25676 ! oligopeptide +is_a: CHEBI:60836 ! phytochelatin + +[Term] +id: CHEBI:64755 +name: EDTA(2-) +is_a: CHEBI:35754 ! tetracarboxylic acid anion + +[Term] +id: CHEBI:64757 +name: 3-palmitoyl-sn-glycerol +is_a: CHEBI:64760 ! 3-acyl-sn-glycerol +is_a: CHEBI:69081 ! 1-monopalmitoylglycerol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64760 +name: 3-acyl-sn-glycerol +is_a: CHEBI:35759 ! 1-monoglyceride + +[Term] +id: CHEBI:64763 +name: EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor +is_a: CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor + +[Term] +id: CHEBI:64765 +name: sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:61931 ! glycerol 1-phosphoserine(1-) +is_a: CHEBI:83408 ! sn-glycerophosphodiester(1-) + +[Term] +id: CHEBI:64766 +name: cationic group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:64767 +name: anionic group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:64768 +name: zwitterionic group +is_a: CHEBI:24433 ! group + +[Term] +id: CHEBI:64769 +name: organic cationic group +is_a: CHEBI:64766 ! cationic group + +[Term] +id: CHEBI:64771 +name: 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:58944 ! dialkyl phosphate anion +is_a: CHEBI:68498 ! lysophosphatidyl-1D-myo-inositol(1-) +is_a: CHEBI:78232 ! 1-acylglycero-3-phospho-1-inositol(1-) + +[Term] +id: CHEBI:64775 +name: organic anionic group +is_a: CHEBI:64767 ! anionic group + +[Term] +id: CHEBI:64776 +name: inorganic anionic group +is_a: CHEBI:64767 ! anionic group + +[Term] +id: CHEBI:64781 +name: 3-heptaprenyl-sn-glycero-1-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:64782 +name: (+)-artemisinate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:64783 +name: (+)-artemisinic alcohol +is_a: CHEBI:134394 ! primary allylic alcohol +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:64784 +name: [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:64785 +name: [(2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:64786 +name: (+)-6-exo-hydroxycamphor +is_a: CHEBI:64814 ! 6-hydroxycamphor + +[Term] +id: CHEBI:64787 +name: (+)-6-endo-hydroxycamphor +is_a: CHEBI:64814 ! 6-hydroxycamphor + +[Term] +id: CHEBI:64788 +name: 3,4-dihydro-4-hydroxyphenylpyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:64789 +name: 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:64790 +name: tetrahydro-4-hydroxyphenylpyruvate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:64791 +name: tetrahydrotyrosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:64792 +name: 2-oxospirilloxanthin +is_a: CHEBI:35310 ! carotenone +is_a: CHEBI:35329 ! carotenoid ether + +[Term] +id: CHEBI:64793 +name: 2,2'-dioxospirilloxanthin +is_a: CHEBI:35310 ! carotenone +is_a: CHEBI:35329 ! carotenoid ether + +[Term] +id: CHEBI:64794 +name: salicin-6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64795 +name: phytosphingosine 1-phosphate(1-) +is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) + +[Term] +id: CHEBI:64796 +name: 2-deoxy-scyllo-inosose +is_a: CHEBI:64809 ! tetrahydroxycyclohexanone + +[Term] +id: CHEBI:64797 +name: alpha-muurolene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:64798 +name: gamma-muurolene +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound + +[Term] +id: CHEBI:64799 +name: beta-copaene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35990 ! bridged compound + +[Term] +id: CHEBI:64800 +name: sativene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35990 ! bridged compound + +[Term] +id: CHEBI:64801 +name: (R)-tetraprenyl-beta-curcumene +is_a: CHEBI:37613 ! cyclohexadiene +is_a: CHEBI:64804 ! sesquarterpene + +[Term] +id: CHEBI:64802 +name: L-histidinal(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:64804 +name: sesquarterpene +is_a: CHEBI:35186 ! terpene + +[Term] +id: CHEBI:64806 +name: 2-demethylmenaquinol-7 +is_a: CHEBI:55437 ! 2-demethylmenaquinol + +[Term] +id: CHEBI:64807 +name: tetrahydrotyrosine +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:64808 +name: tetrahydro-4-hydroxyphenylpyruvic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:64809 +name: tetrahydroxycyclohexanone +is_a: CHEBI:24693 ! hydroxycyclohexanone + +[Term] +id: CHEBI:64814 +name: 6-hydroxycamphor +is_a: CHEBI:22912 ! bornane monoterpenoid +is_a: CHEBI:23446 ! cyclic monoterpene ketone + +[Term] +id: CHEBI:64815 +name: [(R)-2,2,3-trimethyl-2-oxocyclopent-3-en-1-yl]acetate +is_a: CHEBI:19733 ! (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate + +[Term] +id: CHEBI:64816 +name: doxorubicin(1+) +is_a: CHEBI:64678 ! anthracycline cation + +[Term] +id: CHEBI:64817 +name: [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid +is_a: CHEBI:28045 ! (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid + +[Term] +id: CHEBI:64819 +name: [(2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:64833 +name: 6-kestotriose +is_a: CHEBI:27150 ! trisaccharide + +[Term] +id: CHEBI:64834 +name: menaquinol-7 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor + +[Term] +id: CHEBI:64835 +name: 1,6-kestotetraose +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:64836 +name: 6,6-kestotetraose +is_a: CHEBI:50126 ! tetrasaccharide + +[Term] +id: CHEBI:64837 +name: N(pros)-phosphonato-L-histidine residue +is_a: CHEBI:64898 ! anionic amino-acid residue + +[Term] +id: CHEBI:64838 +name: 1D-myo-inositol 6-phosphate +is_a: CHEBI:25446 ! myo-inositol monophosphate +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64839 +name: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) + +[Term] +id: CHEBI:64840 +name: 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:77592 ! monacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:78211 ! 1-acylglycero-3-phospho-1'-glycerol(1-) + +[Term] +id: CHEBI:64841 +name: 1D-myo-inositol 6-phosphate(2-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion +is_a: CHEBI:84139 ! myo-inositol phosphate(2-) + +[Term] +id: CHEBI:64844 +name: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:64845 +name: 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:62747 ! 1-acyl-sn-glycero-3-phosphoglycerol + +[Term] +id: CHEBI:64846 +name: glycyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64847 +name: L-threonyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64848 +name: N-acetyl-beta-muramate(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:64849 +name: glycyl-AMP +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate + +[Term] +id: CHEBI:64850 +name: N-carbamoylaspartic acid +is_a: CHEBI:21689 ! N-carbamoyl-amino acid +is_a: CHEBI:22661 ! aspartic acid derivative +is_a: CHEBI:66873 ! C4-dicarboxylic acid +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:64851 +name: L-threonyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:84189 ! L-threonine derivative + +[Term] +id: CHEBI:64853 +name: N(epsilon)-(5'-guanylyl)-N(alpha)-acetyl-L-lysine methyl ester(1-) +is_a: CHEBI:60345 ! organic phosphoramidate anion + +[Term] +id: CHEBI:64854 +name: N(alpha)-acetyl-L-lysine methyl ester(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:64856 +name: N(epsilon)-GMP-N(alpha)-acetyl-L-lysine methyl ester +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:37773 ! organic phosphoramidate + +[Term] +id: CHEBI:64857 +name: cosmetic +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:64858 +name: aminopropylcadaverine(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:64859 +name: N(alpha)-acetyl-L-lysine methyl ester +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:46874 ! alpha-amino acid ester +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:64860 +name: aminopropylcadaverine +is_a: CHEBI:38751 ! triamine +is_a: CHEBI:39474 ! polyazaalkane +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:64861 +name: 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) + +[Term] +id: CHEBI:64862 +name: 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) + +[Term] +id: CHEBI:64863 +name: 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) + +[Term] +id: CHEBI:64864 +name: 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:64865 +name: 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) + +[Term] +id: CHEBI:64868 +name: hexacosanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) + +[Term] +id: CHEBI:64869 +name: 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate + +[Term] +id: CHEBI:64870 +name: (S)-malyl N-acetyl-alpha-D-glucosaminide(2-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:64871 +name: (S)-malyl alpha-D-glucosaminide(1-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:64872 +name: 2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:68498 ! lysophosphatidyl-1D-myo-inositol(1-) +is_a: CHEBI:78233 ! 2-acylglycero-3-phospho-1-inositol(1-) + +[Term] +id: CHEBI:64873 +name: 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:87691 ! tetradecanoate ester + +[Term] +id: CHEBI:64874 +name: 1-acyl-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) + +[Term] +id: CHEBI:64875 +name: 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) + +[Term] +id: CHEBI:64876 +name: bacillithiol(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:64877 +name: 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:87659 ! dodecanoate ester + +[Term] +id: CHEBI:64882 +name: (S)-malyl N-acetyl-alpha-D-glucosaminide +is_a: CHEBI:27425 ! N-acetyl-alpha-D-glucosaminide + +[Term] +id: CHEBI:64883 +name: diacetylchitobiose-6'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:64884 +name: C20 phytosphingosine 1-phosphate(1-) +is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) + +[Term] +id: CHEBI:64885 +name: C20 phytosphingosine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) + +[Term] +id: CHEBI:64886 +name: C20 sphinganine 1-phosphate(1-) +is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) + +[Term] +id: CHEBI:64887 +name: C20 sphinganine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) + +[Term] +id: CHEBI:64889 +name: 1-acyl-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol + +[Term] +id: CHEBI:64890 +name: 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol + +[Term] +id: CHEBI:64891 +name: O-(pantetheine-4'-phosphoryl)serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:64893 +name: bornane-2,6-dione +is_a: CHEBI:46640 ! diketone + +[Term] +id: CHEBI:64894 +name: [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:64896 +name: O-(pantetheine-4'-phosphoryl)serine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative +relationship: has_part CHEBI:47982 ! pantetheine 4'-phosphate group + +[Term] +id: CHEBI:64897 +name: diacetylchitobiose-6'-phosphate +is_a: CHEBI:23843 ! disaccharide phosphate + +[Term] +id: CHEBI:64898 +name: anionic amino-acid residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:64899 +name: [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid +is_a: CHEBI:33823 ! enol +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid + +[Term] +id: CHEBI:64900 +name: [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:64905 +name: C20 sphinganine +is_a: CHEBI:64907 ! 2-aminoicosane-1,3-diol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:64907 +name: 2-aminoicosane-1,3-diol +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:64908 +name: (3E)-2-oxohex-3-enedioate +is_a: CHEBI:64928 ! 2-oxohex-3-enedioate + +[Term] +id: CHEBI:64909 +name: poison +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:64910 +name: C20 phytosphingosine +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:64911 +name: antimitotic +is_a: CHEBI:52210 ! pharmacological role + +[Term] +id: CHEBI:64912 +name: antimycobacterial drug +is_a: CHEBI:36047 ! antibacterial drug + +[Term] +id: CHEBI:64915 +name: antiplasmodial drug +is_a: CHEBI:35442 ! antiparasitic agent +is_a: CHEBI:35820 ! antiprotozoal drug + +[Term] +id: CHEBI:64916 +name: inositol phosphoceramide(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:64917 +name: C20 sphinganine 1-phosphate +is_a: CHEBI:77068 ! sphingoid 1-phosphate + +[Term] +id: CHEBI:64918 +name: C20 phytosphingosine 1-phosphate +is_a: CHEBI:77068 ! sphingoid 1-phosphate + +[Term] +id: CHEBI:64919 +name: EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor +is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor + +[Term] +id: CHEBI:64921 +name: 3,4-dihydroxy-5-polyprenylbenzoic acid +is_a: CHEBI:22723 ! benzoic acids + +[Term] +id: CHEBI:64925 +name: 4beta-methylzymosterol-4alpha-carboxylate +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:64926 +name: serine protease inhibitor +is_a: CHEBI:37670 ! protease inhibitor + +[Term] +id: CHEBI:64927 +name: 2-oxohex-3-enedioic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:64928 +name: 2-oxohex-3-enedioate +is_a: CHEBI:36147 ! oxo dicarboxylate + +[Term] +id: CHEBI:64930 +name: 1-acyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:16617 ! 1-acylglycerophosphoinositol + +[Term] +id: CHEBI:64931 +name: lysophosphatidyl-1D-myo-inositol +is_a: CHEBI:36315 ! glycerophosphoinositol + +[Term] +id: CHEBI:64933 +name: melanin synthesis inhibitor +is_a: CHEBI:59864 ! depigmentation drug + +[Term] +id: CHEBI:64936 +name: N(pros)-phospho-L-histidine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:64937 +name: 3-heptaprenyl-sn-glycero-1-phosphate +is_a: CHEBI:36571 ! prenylglycerol phosphate + +[Term] +id: CHEBI:64938 +name: N(pros)-phospho-L-histidine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84076 ! L-histidine derivative + +[Term] +id: CHEBI:64939 +name: 3,4-dihydro-4-hydroxyphenylpyruvic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:64940 +name: inositol phosphophytoceramide (t18:0)(1-) +is_a: CHEBI:139053 ! inositol-1-phosphophytoceramide(1-) +is_a: CHEBI:64993 ! inositol phosphophytoceramide(1-) + +[Term] +id: CHEBI:64941 +name: inositol phosphodihydroceramide(1-) +is_a: CHEBI:139052 ! inositol-1-phosphodihydroceramide(1-) +is_a: CHEBI:82829 ! sphinganine-based sphingolipid + +[Term] +id: CHEBI:64942 +name: 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid + +[Term] +id: CHEBI:64945 +name: sn-glycero-3-phosphoserine +is_a: CHEBI:62013 ! glycerol 1-phosphoserine + +[Term] +id: CHEBI:64946 +name: anti-HIV agent +is_a: CHEBI:22587 ! antiviral agent + +[Term] +id: CHEBI:64947 +name: anti-HIV-1 agent +is_a: CHEBI:64946 ! anti-HIV agent + +[Term] +id: CHEBI:64948 +name: pyrrolizidine alkaloid +is_a: CHEBI:22315 ! alkaloid + +[Term] +id: CHEBI:6495 +name: lipoprotein +is_a: CHEBI:33837 ! conjugated protein +is_a: CHEBI:39024 ! clathrate compound +relationship: has_part CHEBI:39015 ! apolipoprotein +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite + +[Term] +id: CHEBI:64950 +name: pyrrolizidine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:64951 +name: anti-HBV agent +is_a: CHEBI:22587 ! antiviral agent + +[Term] +id: CHEBI:64952 +name: anti-HSV agent +is_a: CHEBI:22587 ! antiviral agent + +[Term] +id: CHEBI:64953 +name: anti-HSV-1 agent +is_a: CHEBI:64952 ! anti-HSV agent + +[Term] +id: CHEBI:64956 +name: sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:5457 ! glycerophosphoglycerol + +[Term] +id: CHEBI:64958 +name: N-(2-hydroxyhexacosanoyl)phytosphingosine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:31998 ! N-acylphytosphingosine + +[Term] +id: CHEBI:64961 +name: 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:64962 +name: glucobrassicin(1-) +is_a: CHEBI:24796 ! indolylmethylglucosinolate + +[Term] +id: CHEBI:64964 +name: EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor +is_a: CHEBI:35856 ! lipoxygenase inhibitor +is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor + +[Term] +id: CHEBI:64967 +name: 4-carboxyzymosterol(1-) +is_a: CHEBI:50160 ! steroid acid anion + +[Term] +id: CHEBI:64969 +name: inositol phosphodihydroceramide +is_a: CHEBI:60245 ! inositol phosphoceramide + +[Term] +id: CHEBI:6497 +name: lipoxin +is_a: CHEBI:61703 ! nonclassic icosanoid +relationship: has_role CHEBI:140399 ! specialised pro-resolving mediator + +[Term] +id: CHEBI:64970 +name: inositol phosphophytoceramide (t18:0) +is_a: CHEBI:64994 ! inositol phosphophytoceramide + +[Term] +id: CHEBI:64971 +name: ergosta-5,7,22,24(28)-tetraen-3beta-yl acetate +is_a: CHEBI:35915 ! sterol ester + +[Term] +id: CHEBI:64973 +name: bicyclic nitroimidazole +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound + +[Term] +id: CHEBI:64974 +name: (-)-microperfuranone +is_a: CHEBI:50523 ! butenolide +is_a: CHEBI:59770 ! cyclic acetal +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:64975 +name: lanosteryl palmitate +is_a: CHEBI:52394 ! lanosteryl ester + +[Term] +id: CHEBI:64976 +name: ergosteryl palmitate +is_a: CHEBI:52320 ! ergosteryl ester +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64977 +name: cichorine +is_a: CHEBI:24897 ! isoindoles +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:6498 +name: lipoxin A4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:6497 ! lipoxin +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:64980 +name: gammaGluCys(IAN)Gly +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:24335 ! glutathione conjugate +is_a: CHEBI:24828 ! indoles +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:64981 +name: gammaGluCys(IAN)Gly(1-) +is_a: CHEBI:60334 ! peptide anion + +[Term] +id: CHEBI:64982 +name: 2-acyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:78167 ! 1-lysophosphatidate(2-) + +[Term] +id: CHEBI:64985 +name: bioconjugate +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:64987 +name: S-conjugate +is_a: CHEBI:64985 ! bioconjugate + +[Term] +id: CHEBI:64988 +name: L-Cys(IAN) +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:27532 ! L-cysteine thioether +is_a: CHEBI:64987 ! S-conjugate +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:6499 +name: lipoxin B4 +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:6497 ! lipoxin +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:64991 +name: mannosylinositol phosphophytoceramide(1-) +is_a: CHEBI:64997 ! mannosylinositol phosphorylceramide(1-) + +[Term] +id: CHEBI:64992 +name: inositol phosphomannosylinositol phosphophytoceramide(2-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:64993 +name: inositol phosphophytoceramide(1-) +is_a: CHEBI:64916 ! inositol phosphoceramide(1-) + +[Term] +id: CHEBI:64994 +name: inositol phosphophytoceramide +is_a: CHEBI:60245 ! inositol phosphoceramide + +[Term] +id: CHEBI:64995 +name: EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor +is_a: CHEBI:35856 ! lipoxygenase inhibitor + +[Term] +id: CHEBI:64996 +name: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor +is_a: CHEBI:35856 ! lipoxygenase inhibitor +is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor + +[Term] +id: CHEBI:64997 +name: mannosylinositol phosphorylceramide(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:64998 +name: nicotine blue(2-) +is_a: CHEBI:25696 ! organic anion + +[Term] +id: CHEBI:64999 +name: 3,3'-bipyridine-2,2',5,5',6,6'-hexol +is_a: CHEBI:50511 ! bipyridines + +[Term] +id: CHEBI:65000 +name: mannosylinositol phosphophytoceramide +is_a: CHEBI:25168 ! mannosylinositol phosphorylceramide + +[Term] +id: CHEBI:65001 +name: EC 3.1.1.3 (triacylglycerol lipase) inhibitor +is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor + +[Term] +id: CHEBI:65002 +name: 3-ammonio-2,3-dideoxy-scyllo-inosose(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65003 +name: 2-deoxy-scyllo-inosamine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65004 +name: (-)-secoisolariciresinol +is_a: CHEBI:67250 ! secoisolariciresinol +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:65006 +name: inositol phosphomannosylinositol phosphophytoceramide +is_a: CHEBI:62682 ! inositol phosphomannosylinositol phosphoceramide + +[Term] +id: CHEBI:65008 +name: 6'-oxoparomamine +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:38751 ! triamine +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:50994 ! primary amino compound + +[Term] +id: CHEBI:65009 +name: indol-3-ylmethylamine +is_a: CHEBI:38631 ! aminoalkylindole +is_a: CHEBI:64365 ! aralkylamino compound +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:65010 +name: 2'-N-acetylparomamine(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65011 +name: nicotine blue +is_a: CHEBI:65013 ! extended quinone +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:65013 +name: extended quinone +is_a: CHEBI:36820 ! ring assembly +is_a: CHEBI:3992 ! cyclic ketone + +[Term] +id: CHEBI:65015 +name: paromamine(3+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65016 +name: 6'-oxoparomamine(3+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65018 +name: 2'-N-acetylparomamine +is_a: CHEBI:47779 ! aminoglycoside + +[Term] +id: CHEBI:65023 +name: anti-asthmatic agent +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:65027 +name: 3-amino-2,3-dideoxy-scyllo-inosose +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:65029 ! trihydroxycyclohexanone + +[Term] +id: CHEBI:65028 +name: ribostamycin(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65029 +name: trihydroxycyclohexanone +is_a: CHEBI:24693 ! hydroxycyclohexanone + +[Term] +id: CHEBI:65030 +name: 2'''-acetyl-6'''-hydroxyneomycin C(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65031 +name: 6'''-hydroxyneomycin C(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65032 +name: dihydrochanoclavine-I aldehyde(1+) +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65034 +name: 6,8-dimethyl-6,7-didehydroergolin-6-ium +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:65035 +name: festuclavine +is_a: CHEBI:23943 ! ergot alkaloid + +[Term] +id: CHEBI:65036 +name: didehydroagroclavine +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:25697 ! organic cation + +[Term] +id: CHEBI:65037 +name: miltiradiene +is_a: CHEBI:50072 ! abietadiene + +[Term] +id: CHEBI:65040 +name: UDP-2-acetamido-2-deoxy-alpha-D-glucuronate(3-) +is_a: CHEBI:58900 ! UDP-2-acetamido-2-deoxy-D-glucuronate(3-) + +[Term] +id: CHEBI:65041 +name: dihydrochanoclavine-I aldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:26979 ! organic heterotricyclic compound + +[Term] +id: CHEBI:65042 +name: agroclavine(1+) +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65043 +name: 6'''-hydroxyneomycin C +is_a: CHEBI:47779 ! aminoglycoside + +[Term] +id: CHEBI:65044 +name: 2'''-acetyl-6'''-hydroxyneomycin C +is_a: CHEBI:47779 ! aminoglycoside + +[Term] +id: CHEBI:65045 +name: festuclavine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65046 +name: 2-deoxy-scyllo-inosamine +is_a: CHEBI:61689 ! amino cyclitol + +[Term] +id: CHEBI:65047 +name: UDP-2-acetamido-2-deoxy-alpha-D-glucuronic acid +is_a: CHEBI:52775 ! UDP-N-acetyl-2-amino-2-deoxy-D-glucuronic acid + +[Term] +id: CHEBI:65048 +name: cyclo(tyrosyl-tyrosyl) +is_a: CHEBI:65061 ! 2,5-diketopiperazines + +[Term] +id: CHEBI:65052 +name: tetracosanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) + +[Term] +id: CHEBI:65053 +name: EC 4.1.1.19 (arginine decarboxylase) inhibitor +is_a: CHEBI:76906 ! EC 4.1.1.* (carboxy-lyase) inhibitor + +[Term] +id: CHEBI:65055 +name: 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) + +[Term] +id: CHEBI:65056 +name: EC 3.1.3.11 (fructose-bisphosphatase) inhibitor +is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor + +[Term] +id: CHEBI:65057 +name: adenosine A1 receptor agonist +is_a: CHEBI:73311 ! adenosine receptor agonist + +[Term] +id: CHEBI:65059 +name: behenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:65060 +name: (9Z)-myristoleoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:65061 +name: 2,5-diketopiperazines +is_a: CHEBI:24613 ! homodetic cyclic peptide +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:46846 ! piperazinone + +[Term] +id: CHEBI:65063 +name: cyclo(L-tyrosyl-L-tyrosyl) +is_a: CHEBI:65048 ! cyclo(tyrosyl-tyrosyl) +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:65064 +name: EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor +is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor + +[Term] +id: CHEBI:65065 +name: EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor +is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor + +[Term] +id: CHEBI:65066 +name: trans,octacis-decaprenylphospho-beta-D-arabinofuranose(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65067 +name: trans,octacis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65068 +name: 6'''-oxoneomycin C(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65069 +name: 2-deoxystreptamine(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65070 +name: carboxynorspermidine(2+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:65071 +name: 2'-deamino-2'-hydroxyparomamine(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65072 +name: carboxyspermidine(2+) +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:65073 +name: C20 3-dehydrosphinganine(1+) +is_a: CHEBI:84411 ! 3-dehydrosphingoid base(1+) + +[Term] +id: CHEBI:65074 +name: N-hexacosanoyl-C20-4-hydroxysphinganine +is_a: CHEBI:71985 ! C20 phytoceramide + +[Term] +id: CHEBI:65075 +name: 2'-deamino-2'-hydroxyparomamine +is_a: CHEBI:22479 ! amino cyclitol glycoside + +[Term] +id: CHEBI:65076 +name: neamine(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65077 +name: neomycin C(6+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65078 +name: isopentenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65079 +name: trans,polycis-decaprenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65080 +name: N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,polycis-decaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65081 +name: 2-oxo-3-(5-oxofuran-2-ylidene)propanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:65082 +name: 5''-phosphoribostamycin(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65084 +name: 2-hydroxyoctadecanal +is_a: CHEBI:17176 ! long-chain fatty aldehyde +is_a: CHEBI:35681 ! secondary alcohol + +[Term] +id: CHEBI:65085 +name: butirosin B(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65086 +name: gamma-L-glutamylbutirosin B(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:65087 +name: (9Z)-myristoleoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA + +[Term] +id: CHEBI:65088 +name: behenoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA + +[Term] +id: CHEBI:65089 +name: Ins-1-P-Cer(d18:0/26:0)(1-) +is_a: CHEBI:64941 ! inositol phosphodihydroceramide(1-) +is_a: CHEBI:75481 ! Ins-1-P-Cer-A 44:0(1-) + +[Term] +id: CHEBI:65090 +name: 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol + +[Term] +id: CHEBI:65091 +name: Ins-1-P-Cer(d18:0/24:0)(1-) +is_a: CHEBI:64941 ! inositol phosphodihydroceramide(1-) +is_a: CHEBI:75480 ! Ins-1-P-Cer-A 42:0(1-) + +[Term] +id: CHEBI:65092 +name: 1-monolysocardiolipin(2-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:65094 +name: Ins-1-P-Cer(d18:0/2-OH-26:0)(1-) +is_a: CHEBI:64941 ! inositol phosphodihydroceramide(1-) + +[Term] +id: CHEBI:65096 +name: trans,octacis-decaprenylphospho-beta-D-arabinofuranose +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:65097 +name: 2-hydroxyhexadecanoate +is_a: CHEBI:139189 ! 2-hydroxy fatty acid anion 16:0 +is_a: CHEBI:57560 ! long-chain fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:65098 +name: 6'''-oxoneomycin C +is_a: CHEBI:22479 ! amino cyclitol glycoside + +[Term] +id: CHEBI:65100 +name: trans,octacis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:65101 +name: 2-hydroxyhexadecanoic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:65102 +name: 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:65106 +name: 1-monolysocardiolipin +is_a: CHEBI:17517 ! phosphatidylglycerol + +[Term] +id: CHEBI:65107 +name: N-hexadecanoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine + +[Term] +id: CHEBI:65108 +name: gamma-L-glutamylbutirosin B +is_a: CHEBI:65109 ! butirosin +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:65109 +name: butirosin +is_a: CHEBI:22479 ! amino cyclitol glycoside +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:65110 +name: butirosin B +is_a: CHEBI:65109 ! butirosin +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:65111 +name: 3-substituted propionyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:65113 +name: 5''-phosphoribostamycin +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:37549 ! glycoside phosphate + +[Term] +id: CHEBI:65114 +name: 2-oxo-3-(5-oxofuran-2-ylidene)propanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:50523 ! butenolide + +[Term] +id: CHEBI:65115 +name: 3-oxoicosanoyl-CoA(4-) +is_a: CHEBI:136758 ! long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:65116 +name: N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,polycis-decaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:65117 +name: CDP-N,N-dimethylethanolamine(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65118 +name: C20 3-dehydrosphinganine +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:65121 +name: isopentenyl phosphate +is_a: CHEBI:25381 ! monoalkyl phosphate + +[Term] +id: CHEBI:65122 +name: 3-substituted propionyl-CoA +is_a: CHEBI:17984 ! acyl-CoA + +[Term] +id: CHEBI:65131 +name: (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:65132 +name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:65136 +name: (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:61204 ! docosapentaenoic acid +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:83146 ! Daphnia tenebrosa metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:65139 +name: (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA + +[Term] +id: CHEBI:65156 +name: Man-beta1-2-Ins-1-P-Cer(d18:0/24:0)(1-) +is_a: CHEBI:139065 ! mannosylinositol-1-phosphodihydroceramide(1-) + +[Term] +id: CHEBI:65172 +name: ximelagatran +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:140326 ! tertiary carboxamide +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:37622 ! carboxamide +is_a: CHEBI:38777 ! azetidines +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:65234 ! amidoxime +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:64926 ! serine protease inhibitor +relationship: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor + +[Term] +id: CHEBI:65173 +name: iloperidone +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:37143 ! organofluorine compound +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:51545 ! 1,2-benzoxazoles +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:63534 ! monoamine +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:48279 ! serotonergic antagonist +relationship: has_role CHEBI:48561 ! dopaminergic antagonist +relationship: has_role CHEBI:65191 ! second generation antipsychotic + +[Term] +id: CHEBI:65180 +name: GDP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65190 +name: first generation antipsychotic +is_a: CHEBI:35476 ! antipsychotic agent + +[Term] +id: CHEBI:65191 +name: second generation antipsychotic +is_a: CHEBI:35476 ! antipsychotic agent + +[Term] +id: CHEBI:65207 +name: vascular endothelial growth factor receptor antagonist +is_a: CHEBI:48706 ! antagonist + +[Term] +id: CHEBI:65210 +name: (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid + +[Term] +id: CHEBI:65211 +name: 1,2-dilauroyl-sn-glycero-3-phosphocholine +is_a: CHEBI:85564 ! phosphatidylcholine 24:0 +is_a: CHEBI:87659 ! dodecanoate ester +relationship: has_role CHEBI:65254 ! LRH-1 agonist + +[Term] +id: CHEBI:65212 +name: polysaccharide derivative +is_a: CHEBI:33694 ! biomacromolecule +is_a: CHEBI:63299 ! carbohydrate derivative + +[Term] +id: CHEBI:65213 +name: 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion +is_a: CHEBI:78200 ! 2-acylglycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:65214 +name: 2-acyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:68497 ! lysophosphatidylserine(1-) +is_a: CHEBI:78214 ! 2-acylglycero-3-phospho-Lserine(1-) + +[Term] +id: CHEBI:65215 +name: 1-acyl-2-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:68489 ! alkyl,acyl-sn-glycero-3-phosphocholine + +[Term] +id: CHEBI:65220 +name: 1-alkyl-2-acyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:68490 ! alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:78224 ! 1-alkyl-2-acylglycero-3-phosphoserine(1-) + +[Term] +id: CHEBI:65221 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) + +[Term] +id: CHEBI:65228 +name: 3-hydroxyphenyl propanoate +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:65232 +name: EC 3.4.21.5 (thrombin) inhibitor +is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor + +[Term] +id: CHEBI:65234 +name: amidoxime +is_a: CHEBI:2634 ! amidine + +[Term] +id: CHEBI:65240 +name: 1-alkyl-2-acyl-sn-glycero-3-phosphoserine +is_a: CHEBI:68521 ! alkyl,acyl-sn-glycero-3-phosphoserine + +[Term] +id: CHEBI:65243 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:87657 ! octanoate ester + +[Term] +id: CHEBI:65248 +name: L-tyrosiniumyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:65249 +name: L-lysiniumyl(2+) group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:65250 +name: L-cysteiniumyl group +is_a: CHEBI:64769 ! organic cationic group + +[Term] +id: CHEBI:65254 +name: LRH-1 agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:65255 +name: food preservative +is_a: CHEBI:64047 ! food additive + +[Term] +id: CHEBI:65256 +name: antimicrobial food preservative +is_a: CHEBI:33281 ! antimicrobial agent +is_a: CHEBI:65255 ! food preservative + +[Term] +id: CHEBI:65258 +name: L-pyrrolysinium +is_a: CHEBI:33719 ! alpha-amino-acid cation + +[Term] +id: CHEBI:65259 +name: GABA antagonist +is_a: CHEBI:48706 ! antagonist +is_a: CHEBI:51374 ! GABA agent + +[Term] +id: CHEBI:65260 +name: 3-hydroxyacyl-CoA +is_a: CHEBI:62618 ! hydroxyacyl-CoA + +[Term] +id: CHEBI:65261 +name: purine deoxyribonucleotide(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:65262 +name: pyrimidine deoxyribonucleotide(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:65263 +name: cyclobutadithymidine(2-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:65264 +name: dodecanoyl-pantetheine-4-phosphorylserine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:65280 +name: N(omega)-methyl-argininium(1+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation + +[Term] +id: CHEBI:65283 +name: dodecanoyl-pantetheine-4-phosphorylserine residue +is_a: CHEBI:76241 ! O-(S-acylpantetheine-4'-phosphoryl)serine residue + +[Term] +id: CHEBI:65285 +name: aliphatic amide +is_a: CHEBI:33653 ! aliphatic compound +is_a: CHEBI:37622 ! carboxamide + +[Term] +id: CHEBI:65286 +name: L-tyrosine-O-sulfate(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion + +[Term] +id: CHEBI:65287 +name: cyclobutadithymidine residue +is_a: CHEBI:50319 ! nucleotide residue + +[Term] +id: CHEBI:65294 +name: phosphatidylcholine 28:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:65295 +name: N-alkylphthalic monoamide(1-) +is_a: CHEBI:22718 ! benzoates + +[Term] +id: CHEBI:65296 +name: primary ammonium ion +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:6530 +name: longifolene +is_a: CHEBI:35189 ! sesquiterpene + +[Term] +id: CHEBI:65303 +name: phosphatidylcholine 30:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:65305 +name: purine deoxyribonucleotide residue +is_a: CHEBI:55367 ! deoxyribonucleotide residue + +[Term] +id: CHEBI:65306 +name: pyrimidine deoxyribonucleotide residue +is_a: CHEBI:55367 ! deoxyribonucleotide residue + +[Term] +id: CHEBI:65309 +name: N(omega)-methyl-L-arginine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:65311 +name: corticotropin-releasing hormone +is_a: CHEBI:15841 ! polypeptide +is_a: CHEBI:25905 ! peptide hormone +is_a: CHEBI:33694 ! biomacromolecule +relationship: has_role CHEBI:25512 ! neurotransmitter + +[Term] +id: CHEBI:65314 +name: pseudouridine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group + +[Term] +id: CHEBI:65315 +name: uridine 5'-monophosphate(1-) residue +is_a: CHEBI:90675 ! ribonucleotide residue(1-) + +[Term] +id: CHEBI:65316 +name: L-tyrosine-O-sulfate residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:65317 +name: 2'-deoxynucleoside 5'-monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:65318 +name: cyanophycin macromolecule +is_a: CHEBI:15841 ! polypeptide +is_a: CHEBI:33694 ! biomacromolecule +is_a: CHEBI:53224 ! poly(amide) macromolecule + +[Term] +id: CHEBI:65320 +name: pseudouridine 5'-phosphate residue +is_a: CHEBI:50319 ! nucleotide residue + +[Term] +id: CHEBI:65321 +name: terpenoid indole alkaloid +is_a: CHEBI:38958 ! indole alkaloid + +[Term] +id: CHEBI:65322 +name: hemiterpenoid indole alkaloid +is_a: CHEBI:65321 ! terpenoid indole alkaloid + +[Term] +id: CHEBI:65323 +name: monoterpenoid indole alkaloid +is_a: CHEBI:65321 ! terpenoid indole alkaloid + +[Term] +id: CHEBI:65327 +name: D-xylose +is_a: CHEBI:18222 ! xylose + +[Term] +id: CHEBI:65328 +name: L-xylose +is_a: CHEBI:18222 ! xylose + +[Term] +id: CHEBI:65331 +name: alkyl caffeate ester +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:36087 ! cinnamate ester + +[Term] +id: CHEBI:65335 +name: 3-deoxy-D-manno-octulosonate +is_a: CHEBI:33721 ! carbohydrate acid anion + +[Term] +id: CHEBI:65340 +name: 5-formyltetrahydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:65341 +name: 5-HETE(1-) +is_a: CHEBI:131858 ! HETE anion + +[Term] +id: CHEBI:65342 +name: 5-oxo-ETE(1-) +is_a: CHEBI:131859 ! oxo-ETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:65352 +name: achromobactin free acid +is_a: CHEBI:35742 ! tetracarboxylic acid +relationship: has_role CHEBI:26672 ! siderophore + +[Term] +id: CHEBI:65585 +name: carnosic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35660 ! HIV protease inhibitor +relationship: has_role CHEBI:50926 ! angiogenesis modulating agent +relationship: has_role CHEBI:65255 ! food preservative +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:6570 +name: lupeol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:6572 +name: L-lupinic acid +is_a: CHEBI:30885 ! lupinic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative + +[Term] +id: CHEBI:65737 +name: demethoxycurcumin +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:51689 ! enone +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:78802 ! diarylheptanoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent + +[Term] +id: CHEBI:6574 +name: lupulone +is_a: CHEBI:136848 ! beta-bitter acid +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:48422 ! angiogenesis inhibitor +relationship: has_role CHEBI:68495 ! apoptosis inducer + +[Term] +id: CHEBI:65768 +name: (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25380 ! acetylenic fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor + +[Term] +id: CHEBI:65932 +name: funalenone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:51689 ! enone +is_a: CHEBI:51959 ! organic tricyclic compound +relationship: has_role CHEBI:67189 ! EC 3.4.24.3 (microbial collagenase) inhibitor +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:66331 +name: xanthohumol +is_a: CHEBI:23086 ! chalcones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:64919 ! EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor +relationship: has_role CHEBI:64947 ! anti-HIV-1 agent +relationship: has_role CHEBI:68495 ! apoptosis inducer + +[Term] +id: CHEBI:6641 +name: (S)-magnoflorine +is_a: CHEBI:134209 ! aporphine alkaloid +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:66470 +name: (+)-sesamin +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:47790 ! furofuran +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:6650 +name: malic acid +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +relationship: has_role CHEBI:64049 ! food acidity regulator +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:66848 +name: phosphatidylcholine 32:2 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66849 +name: phosphatidylcholine 32:1 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66850 +name: phosphatidylcholine 32:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66855 +name: phosphatidylcholine 34:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66856 +name: phosphatidylcholine 36:6 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66857 +name: phosphatidylcholine 36:1 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66858 +name: phosphatidylcholine 36:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66862 +name: phosphatidylcholine 40:4 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66867 +name: trans,polycis-decaprenyl phosphate +is_a: CHEBI:16460 ! polyprenol phosphate + +[Term] +id: CHEBI:66868 +name: carboxyspermidine +is_a: CHEBI:8382 ! prednisone + +[Term] +id: CHEBI:66873 +name: C4-dicarboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:66874 +name: carnosinate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:66878 +name: pseudooxynicotinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:66879 +name: 4-oxo-4-(pyridin-3-yl)butanal +is_a: CHEBI:22939 ! butanals +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:66881 +name: trans,octacis-decaprenylphospho-beta-D-ribofuranose(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:66882 +name: 4-(methylamino)butyric acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:66884 +name: N-alkylglycine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:66887 +name: (2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioate(2-) +is_a: CHEBI:19615 ! 2-hydroxy-6-oxonona-2,4-dienedioate + +[Term] +id: CHEBI:66888 +name: (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2-) +is_a: CHEBI:58637 ! 2-hydroxy-6-oxonona-2,4,7-trienedioate + +[Term] +id: CHEBI:66893 +name: 4-(6-hydroxypyridin-3-yl)-4-oxobutyrate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:66896 +name: (+)-5-oxo-1,2-campholide +is_a: CHEBI:66953 ! 5-oxo-1,2-campholide + +[Term] +id: CHEBI:66898 +name: (3R)-11-cis-3-hydroxyretinal +is_a: CHEBI:26534 ! retinals + +[Term] +id: CHEBI:669 +name: 1-phenylethanol +is_a: CHEBI:33854 ! aromatic alcohol +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:66904 +name: 2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:66905 +name: aureusidin 6-O-beta-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:85970 ! hydroxyaurone + +[Term] +id: CHEBI:66906 +name: 2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:66907 +name: bracteatin 6-O-beta-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside + +[Term] +id: CHEBI:66909 +name: alpha-D-Glcp-(1->3)-L-Rhap +is_a: CHEBI:55333 ! glycosylrhamnose + +[Term] +id: CHEBI:66911 +name: alpha-D-mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-beta-D-galactosyl-1-diphosphodecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:66912 +name: alpha-D-abequosyl-(1->3)-alpha-D-mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-beta-D-galactosyl-1-diphosphodecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:66914 +name: UDP-alpha-D-galactose(2-) +is_a: CHEBI:140359 ! UDP-monosaccharide(2-) +is_a: CHEBI:58439 ! UDP-D-galactose(2-) + +[Term] +id: CHEBI:66915 +name: UDP-alpha-D-galactofuranose(2-) +is_a: CHEBI:58423 ! UDP-D-galactofuranose(2-) + +[Term] +id: CHEBI:66916 +name: alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:66918 +name: ergosta-5,7-dien-3beta-ol +is_a: CHEBI:26125 ! phytosterols +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50403 ! ergostanoid + +[Term] +id: CHEBI:66922 +name: citrullinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:66924 +name: creatinate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:66929 +name: trans,octacis-decaprenylphospho-beta-D-ribofuranose +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:66933 +name: N-alkylglycine +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid + +[Term] +id: CHEBI:66934 +name: cyanoamino acid anion +is_a: CHEBI:37022 ! amino-acid anion + +[Term] +id: CHEBI:66936 +name: (2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid +is_a: CHEBI:17367 ! 2-hydroxy-6-oxonona-2,4-dienedioic acid + +[Term] +id: CHEBI:66937 +name: trans,octacis-decaprenylphospho-beta-D-ribofuranose 5-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:66938 +name: keto-D-gluconic acid +is_a: CHEBI:24967 ! ketogluconic acid + +[Term] +id: CHEBI:66939 +name: (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioic acid +is_a: CHEBI:31082 ! 2-hydroxy-6-oxonona-2,4,7-trienedioic acid + +[Term] +id: CHEBI:66940 +name: fructosylglycinate +is_a: CHEBI:63790 ! glyco-amino-acid anion + +[Term] +id: CHEBI:66941 +name: ecgononium methyl ester(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:66942 +name: 4-oxo-4-(pyridin-3-yl)butanoate +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:66944 +name: 2,6-dihydroxypseudooxynicotinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:66945 +name: 4-nitro-6-oxohepta-2,4-dienedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:66946 +name: 4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:38182 ! monohydroxypyridine +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:66947 +name: (2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:66948 +name: isoglutamate(1-) +is_a: CHEBI:49095 ! beta-amino-acid anion + +[Term] +id: CHEBI:66949 +name: nucleoside 3'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:6695 +name: (+)-marmesin +is_a: CHEBI:49080 ! marmesin + +[Term] +id: CHEBI:66950 +name: olivetolate +is_a: CHEBI:35757 ! monocarboxylic acid anion + +[Term] +id: CHEBI:66951 +name: 4-oxo-4-(pyridin-3-yl)butanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26421 ! pyridines +is_a: CHEBI:76224 ! aromatic ketone + +[Term] +id: CHEBI:66952 +name: homocysteinate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:66953 +name: 5-oxo-1,2-campholide +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:50361 ! ketolactone + +[Term] +id: CHEBI:66954 +name: 2',3'-cyclic nucleotide(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:66955 +name: olivetolic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66956 +name: antidyskinesia agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:66957 +name: 3,5,7-trioxododecanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +is_a: CHEBI:61903 ! oxo-fatty acyl-CoA +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:66958 +name: 4-hydroxy-6-pentylpyran-2-one +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:75885 ! 2-pyranones +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:66960 +name: olivetol +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:78361 ! lichen metabolite + +[Term] +id: CHEBI:66961 +name: cannabinerolate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:66962 +name: cannabigerolate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:66963 +name: Delta(9)-tetrahydrocannabinolate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion + +[Term] +id: CHEBI:66964 +name: Delta(9)-tetrahydrocannabinol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:38920 ! benzochromene +is_a: CHEBI:67196 ! phytocannabinoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35481 ! non-narcotic analgesic +relationship: has_role CHEBI:35499 ! hallucinogen +relationship: has_role CHEBI:53000 ! epitope +relationship: has_role CHEBI:67072 ! cannabinoid receptor agonist + +[Term] +id: CHEBI:6698 +name: (-)-matairesinol +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37581 ! gamma-lactone +relationship: has_role CHEBI:48422 ! angiogenesis inhibitor +relationship: has_role CHEBI:65023 ! anti-asthmatic agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen + +[Term] +id: CHEBI:66980 +name: nootropic agent +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:66981 +name: ophthalmology drug +is_a: CHEBI:23888 ! drug + +[Term] +id: CHEBI:66982 +name: mycophenolic acid O-acyl-glucuronide(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion + +[Term] +id: CHEBI:66987 +name: radiation protective agent +is_a: CHEBI:50267 ! protective agent + +[Term] +id: CHEBI:66993 +name: tocolytic agent +is_a: CHEBI:50689 ! reproductive control drug + +[Term] +id: CHEBI:66998 +name: histidinate derivative +is_a: CHEBI:29067 ! carboxylic acid anion + +[Term] +id: CHEBI:67001 +name: hypusinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:67008 +name: kynureninate +is_a: CHEBI:33558 ! alpha-amino-acid anion + +[Term] +id: CHEBI:67009 +name: S-adenosyl-L-homocysteinate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:78675 ! fundamental metabolite + +[Term] +id: CHEBI:67010 +name: L-kynureninate +is_a: CHEBI:59814 ! L-alpha-amino acid anion +is_a: CHEBI:67008 ! kynureninate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:67011 +name: folates +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:67012 +name: L-dopa(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:67013 +name: methyl-branched fatty acid anion +is_a: CHEBI:58955 ! branched-chain fatty acid anion + +[Term] +id: CHEBI:67014 +name: dihydrofolates +is_a: CHEBI:67011 ! folates + +[Term] +id: CHEBI:67015 +name: N(omega)-methyl-L-argininate +is_a: CHEBI:59814 ! L-alpha-amino acid anion + +[Term] +id: CHEBI:67016 +name: tetrahydrofolate +is_a: CHEBI:67011 ! folates + +[Term] +id: CHEBI:67021 +name: N-docosanoylsphinganine +is_a: CHEBI:31488 ! N-acylsphinganine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:67022 +name: lipoxin anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:67023 +name: N-(2-hydroxydocosanoyl)sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine + +[Term] +id: CHEBI:67026 +name: lipoxin A4(1-) +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:67022 ! lipoxin anion + +[Term] +id: CHEBI:67027 +name: N-eicosanoylsphinganine +is_a: CHEBI:31488 ! N-acylsphinganine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:67031 +name: lipoxin B4(1-) +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:67022 ! lipoxin anion + +[Term] +id: CHEBI:67032 +name: O-phosphonatooxyserine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67033 +name: N-octodecanoylsphinganine +is_a: CHEBI:31488 ! N-acylsphinganine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:67034 +name: N-(2-hydroxyoctadecanoyl)sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine + +[Term] +id: CHEBI:67035 +name: N-octadecanoyl-4-hydroxysphinganine +is_a: CHEBI:31998 ! N-acylphytosphingosine + +[Term] +id: CHEBI:67036 +name: O-(N-acetylglucosamine-1-phosphonatooxy)-L-serine(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67037 +name: D-octopine(1-) +is_a: CHEBI:60895 ! D-alpha-amino acid anion + +[Term] +id: CHEBI:67039 +name: prenylcysteinate +is_a: CHEBI:63470 ! sulfur-containing amino-acid anion + +[Term] +id: CHEBI:67040 +name: S-adenosyl-L-methioninate +is_a: CHEBI:35282 ! sulfonium betaine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:67042 +name: N-hexadecanoylsphinganine +is_a: CHEBI:137568 ! Cer(d34:0) +is_a: CHEBI:31488 ! N-acylsphinganine +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:67043 +name: N-(2-hydroxyhexadecanoyl)sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine + +[Term] +id: CHEBI:67045 +name: N-tetradecanoylsphinganine +is_a: CHEBI:31488 ! N-acylsphinganine + +[Term] +id: CHEBI:67049 +name: N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+) +is_a: CHEBI:35267 ! quaternary ammonium ion + +[Term] +id: CHEBI:67050 +name: S-methyl-L-methioninate +is_a: CHEBI:25268 ! methyl-L-methionine +is_a: CHEBI:35282 ! sulfonium betaine + +[Term] +id: CHEBI:67051 +name: phosphopantetheine anion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67052 +name: glyphosate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67058 +name: lysophosphatidylcholine 20:0 +is_a: CHEBI:60479 ! lysophosphatidylcholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67062 +name: lipo-chitin oligosaccharide +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:67063 +name: poly-beta-1,6-N-acetyl-D-glucosamine +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:67064 +name: phosphatidylcholine O-36:4 +is_a: CHEBI:68489 ! alkyl,acyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67072 +name: cannabinoid receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:67078 +name: Delta(9)-tetrahydrocannabinolic acid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:38920 ! benzochromene +is_a: CHEBI:67196 ! phytocannabinoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent + +[Term] +id: CHEBI:67079 +name: anti-inflammatory agent +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:67080 +name: cannabinerolic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:67196 ! phytocannabinoid + +[Term] +id: CHEBI:67081 +name: cannabigerolic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:67196 ! phytocannabinoid + +[Term] +id: CHEBI:67089 +name: 3,5,7-trioxododecanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA + +[Term] +id: CHEBI:67090 +name: N-acylsphinganine-1-phosphocholine +is_a: CHEBI:64583 ! sphingomyelin +is_a: CHEBI:82829 ! sphinganine-based sphingolipid + +[Term] +id: CHEBI:67103 +name: (2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid +is_a: CHEBI:38436 ! muconic semialdehyde + +[Term] +id: CHEBI:67104 +name: 4-nitro-6-oxohepta-2,4-dienedioic acid +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:36145 ! oxo dicarboxylic acid + +[Term] +id: CHEBI:67106 +name: 1-deoxysphinganine +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:35785 ! sphingoid +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:67108 +name: 1-deoxymethylsphinganine(1+) +is_a: CHEBI:132044 ! Deoxymethylsphingoid base +is_a: CHEBI:83876 ! cationic sphingoid + +[Term] +id: CHEBI:67109 +name: 1-deoxysphinganine(1+) +is_a: CHEBI:132046 ! Deoxysphingoid base +is_a: CHEBI:83876 ! cationic sphingoid + +[Term] +id: CHEBI:67114 +name: ryanodine receptor agonist +is_a: CHEBI:38809 ! ryanodine receptor modulator + +[Term] +id: CHEBI:67115 +name: ecgonone methyl ester +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:37332 ! tropane alkaloid +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:50996 ! tertiary amino compound + +[Term] +id: CHEBI:67117 +name: trans,octacis-decaprenylphospho-beta-D-ribofuranose 5-phosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:67118 +name: UDP-alpha-D-galactofuranose +is_a: CHEBI:18251 ! UDP-D-galactofuranose + +[Term] +id: CHEBI:67119 +name: UDP-alpha-D-galactose +is_a: CHEBI:18307 ! UDP-D-galactose +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:67122 +name: alpha-D-abequosyl-(1->3)-alpha-D-mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-beta-D-galactosyl-1-diphosphodecaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:67124 +name: alpha-D-mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-beta-D-galactosyl-1-diphosphodecaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:67132 +name: ditrans,polycis-polyprenol +is_a: CHEBI:26199 ! polyprenol + +[Term] +id: CHEBI:67133 +name: UDP-2-acetamido-4-azaniumyl-2,4,6-trideoxy-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:67134 +name: UDP-N,N'-diacetylbacillosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:67135 +name: 2-nitroimidazole +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:35716 ! C-nitro compound +relationship: has_role CHEBI:33231 ! antitubercular agent + +[Term] +id: CHEBI:67136 +name: cannabidiolate +is_a: CHEBI:36084 ! dihydroxybenzoate + +[Term] +id: CHEBI:67138 +name: UDP-N-acetyl-alpha-D-galactosamine(2-) +is_a: CHEBI:140359 ! UDP-monosaccharide(2-) +is_a: CHEBI:57847 ! UDP-N-acetyl-D-galactosamine(2-) + +[Term] +id: CHEBI:67139 +name: (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion + +[Term] +id: CHEBI:6714 +name: (+)-medicarpin +is_a: CHEBI:16114 ! medicarpin + +[Term] +id: CHEBI:67140 +name: phosphate monoester dianion +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67142 +name: nucleobase analogue +is_a: CHEBI:33832 ! organic cyclic compound + +[Term] +id: CHEBI:67143 +name: pppA2'p5'A2'p5'A +is_a: CHEBI:7754 ! oligonucleotide +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor + +[Term] +id: CHEBI:67145 +name: fumigaclavine A(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:67146 +name: fumigaclavine B(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:67147 +name: fumigaclavine C(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:67148 +name: 2-hydroxybenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) + +[Term] +id: CHEBI:67150 +name: beta-D-Glc-(1->3')-1,2-diacylglycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63427 ! glycosylglycerol derivative + +[Term] +id: CHEBI:67152 +name: (2Z)-2-hydroxypenta-2,4-dienoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:37319 ! 2-hydroxypenta-2,4-dienoate + +[Term] +id: CHEBI:67153 +name: (+)-larreatricin +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:26912 ! oxolanes +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67154 +name: (+)-3'-hydroxylarreatricin +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:26912 ! oxolanes +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67156 +name: fumigaclavine B +is_a: CHEBI:23943 ! ergot alkaloid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67158 +name: (R)-3-ammonio-3-phenylpropanoate +is_a: CHEBI:68527 ! 3-ammonio-3-phenylpropanoate + +[Term] +id: CHEBI:67159 +name: fumigaclavine A +is_a: CHEBI:23943 ! ergot alkaloid +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67168 +name: UDP-N-acetyl-alpha-D-galactosamine +is_a: CHEBI:16650 ! UDP-N-acetyl-D-galactosamine +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:67172 +name: (R)-3-amino-3-phenylpropanoic acid +is_a: CHEBI:68528 ! 3-amino-3-phenylpropanoic acid + +[Term] +id: CHEBI:67176 +name: 1-deoxy-3-dehydrosphinganine +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:67177 +name: 1-deoxymethyl-3-dehydrosphinganine(1+) +is_a: CHEBI:132044 ! Deoxymethylsphingoid base +is_a: CHEBI:83876 ! cationic sphingoid + +[Term] +id: CHEBI:67178 +name: UDP-N,N'-diacetylbacillosamine +is_a: CHEBI:35262 ! UDP-amino sugar + +[Term] +id: CHEBI:67182 +name: sporulenol +is_a: CHEBI:51961 ! sesquarterpenoid + +[Term] +id: CHEBI:67186 +name: 1-deoxymethyl-3-dehydrosphinganine +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:67187 +name: 1-deoxymethylsphinganine +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:35785 ! sphingoid + +[Term] +id: CHEBI:67188 +name: 9-cis-beta-carotene +is_a: CHEBI:35163 ! cyclic carotene +relationship: has_role CHEBI:26130 ! biological pigment + +[Term] +id: CHEBI:67189 +name: EC 3.4.24.3 (microbial collagenase) inhibitor +is_a: CHEBI:59107 ! EC 3.4.24.* (metalloendopeptidase) inhibitor + +[Term] +id: CHEBI:67190 +name: carlactone +is_a: CHEBI:37581 ! gamma-lactone +is_a: CHEBI:59770 ! cyclic acetal +relationship: has_role CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:67191 +name: (2E,4E,6E)-7-hydroxy-4-methylhepta-2,4,6-trienal +is_a: CHEBI:50413 ! hydroxyaldehyde +is_a: CHEBI:51688 ! enal + +[Term] +id: CHEBI:67192 +name: 9-cis-10'-apo-beta-carotenal +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53183 ! apo carotenoid + +[Term] +id: CHEBI:67193 +name: 4-methylheptane +is_a: CHEBI:18310 ! alkane +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67194 +name: cannabinoid +is_a: CHEBI:36963 ! organooxygen compound +relationship: has_role CHEBI:67072 ! cannabinoid receptor agonist + +[Term] +id: CHEBI:67195 +name: gap junctional intercellular communication inhibitor +is_a: CHEBI:35222 ! inhibitor + +[Term] +id: CHEBI:67196 +name: phytocannabinoid +is_a: CHEBI:67194 ! cannabinoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67197 +name: endocannabinoid +is_a: CHEBI:18059 ! lipid +is_a: CHEBI:67194 ! cannabinoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67198 +name: retinoic acid receptor agonist +is_a: CHEBI:48705 ! agonist +is_a: CHEBI:90708 ! retinoic acid receptor modulator + +[Term] +id: CHEBI:67199 +name: AP-1 antagonist +is_a: CHEBI:48706 ! antagonist + +[Term] +id: CHEBI:67200 +name: provitamin A +is_a: CHEBI:50188 ! provitamin + +[Term] +id: CHEBI:67201 +name: synthetic cannabinoid +is_a: CHEBI:67194 ! cannabinoid + +[Term] +id: CHEBI:67204 +name: carboxynorspermidine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid + +[Term] +id: CHEBI:67205 +name: (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid +is_a: CHEBI:35692 ! dicarboxylic acid + +[Term] +id: CHEBI:67208 +name: double-stranded RNA +is_a: CHEBI:33697 ! ribonucleic acid + +[Term] +id: CHEBI:67209 +name: alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67210 +name: beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67211 +name: beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67212 +name: [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:67213 +name: 2'-deamino-2'-hydroxyneamine(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:67214 +name: 2'-deamino-2'-hydroxy-6'-dehydroparomamine(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion + +[Term] +id: CHEBI:67223 +name: 2'-deamino-2'-hydroxyneamine +is_a: CHEBI:22479 ! amino cyclitol glycoside +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:67225 +name: 2'-deamino-2'-hydroxy-6'-dehydroparomamine +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:22479 ! amino cyclitol glycoside + +[Term] +id: CHEBI:67227 +name: beta-carotene 15,15'-epoxide +is_a: CHEBI:23043 ! epoxycarotenoid + +[Term] +id: CHEBI:67228 +name: 15,15'-dihydroxy-beta-carotene +is_a: CHEBI:23045 ! carotenol + +[Term] +id: CHEBI:67237 +name: (22R)-22-hydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol + +[Term] +id: CHEBI:67239 +name: EC 3.2.1.20 (alpha-glucosidase) inhibitor +is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor + +[Term] +id: CHEBI:67241 +name: beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:67244 +name: (-)-lariciresinol +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:26912 ! oxolanes +is_a: CHEBI:33853 ! phenols + +[Term] +id: CHEBI:67245 +name: (-)-pinoresinol +is_a: CHEBI:8225 ! pinoresinol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67246 +name: (+)-lariciresinol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:26912 ! oxolanes +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67247 +name: (+)-secoisolariciresinol +is_a: CHEBI:67250 ! secoisolariciresinol + +[Term] +id: CHEBI:67248 +name: 4-(3-methylbut-2-enyl)-L-abrine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion + +[Term] +id: CHEBI:67250 +name: secoisolariciresinol +is_a: CHEBI:22944 ! butanediols +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:26195 ! polyphenol + +[Term] +id: CHEBI:67253 +name: alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:67256 +name: beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate + +[Term] +id: CHEBI:67260 +name: geranate +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:67261 +name: (Z)-2,3-dehydroadipyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:67262 +name: dihydrocurcumin +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:51689 ! enone +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:78802 ! diarylheptanoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67263 +name: tetrahydrocurcumin +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:78802 ! diarylheptanoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:67264 +name: geranic acid +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +relationship: has_role CHEBI:64933 ! melanin synthesis inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67265 +name: beta-diketone +is_a: CHEBI:46640 ! diketone + +[Term] +id: CHEBI:67269 +name: cyclo(L-leucyl-L-leucyl) +is_a: CHEBI:65061 ! 2,5-diketopiperazines + +[Term] +id: CHEBI:67273 +name: monohydroxy-1,4-benzoquinones +is_a: CHEBI:132124 ! 1,4-benzoquinones +is_a: CHEBI:33823 ! enol +is_a: CHEBI:71648 ! hydroxybenzoquinone + +[Term] +id: CHEBI:67274 +name: lysophosphatidylethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion +is_a: CHEBI:78201 ! monoacylglycero-3-phosphoethanolamine zwitterion + +[Term] +id: CHEBI:67347 +name: (+)-pisatin +is_a: CHEBI:26377 ! pterocarpans +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:26115 ! phytoalexin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67375 +name: noreugenin +is_a: CHEBI:23238 ! chromones +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:6746 +name: menadiol +is_a: CHEBI:23783 ! naphthalenediols +is_a: CHEBI:25324 ! methylnaphthalenes +is_a: CHEBI:51475 ! naphthohydroquinone + +[Term] +id: CHEBI:6750 +name: (+)-menthofuran +is_a: CHEBI:50542 ! menthofuran + +[Term] +id: CHEBI:67939 +name: erythrodiol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67987 +name: ginsenoside Rg1 +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:72571 ! pro-angiogenic agent + +[Term] +id: CHEBI:67988 +name: ginsenoside Rd +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:73336 ! vulnerary +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67989 +name: ginsenoside Rb1 +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:68494 ! apoptosis inhibitor +relationship: has_role CHEBI:74518 ! anti-obesity agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:67991 +name: (20S)-ginsenoside Rg3 +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50926 ! angiogenesis modulating agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:6801 +name: metformin +is_a: CHEBI:24436 ! guanidines +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:6809 +name: methamphetamine +is_a: CHEBI:32863 ! secondary amine +is_a: CHEBI:35338 ! amphetamines +relationship: has_role CHEBI:35337 ! central nervous system stimulant +relationship: has_role CHEBI:35471 ! psychotropic drug +relationship: has_role CHEBI:35703 ! xenobiotic +relationship: has_role CHEBI:50910 ! neurotoxin +relationship: has_role CHEBI:78298 ! environmental contaminant + +[Term] +id: CHEBI:68437 +name: 5,6,7,8-tetrahydrofolate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:67016 ! tetrahydrofolate + +[Term] +id: CHEBI:68438 +name: Fe-coproporphyrin III(4-) +is_a: CHEBI:35754 ! tetracarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion + +[Term] +id: CHEBI:68448 +name: beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc +is_a: CHEBI:61190 ! beta-D-GalpNAc-(1->4)-D-GlcpNAc +relationship: has_role CHEBI:53000 ! epitope + +[Term] +id: CHEBI:68452 +name: azole +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38179 ! monocyclic heteroarene + +[Term] +id: CHEBI:68458 +name: multi-methyl-branched fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) + +[Term] +id: CHEBI:68464 +name: 4-(3-methylbut-2-enyl)-L-abrine +is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid +is_a: CHEBI:47994 ! L-tryptophan derivative + +[Term] +id: CHEBI:68465 +name: 2,6-dihydroxybenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:68471 +name: (Z)-2,3-dehydroadipoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:27803 ! cis-2-enoyl-CoA + +[Term] +id: CHEBI:68472 +name: pyrimidine deoxyribonucleoside +is_a: CHEBI:23636 ! deoxyribonucleoside +is_a: CHEBI:26440 ! pyrimidine nucleoside + +[Term] +id: CHEBI:68481 +name: mTOR inhibitor +is_a: CHEBI:37699 ! protein kinase inhibitor + +[Term] +id: CHEBI:68483 +name: UDP-N-acetyl-3-O-(1-carboxylatovinyl)-alpha-D-glucosamine(3-) +is_a: CHEBI:57771 ! UDP-N-acetyl-3-O-(1-carboxylatovinyl)-D-glucosamine(3-) + +[Term] +id: CHEBI:68487 +name: strigolactone +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37667 ! sesquiterpene lactone +is_a: CHEBI:50523 ! butenolide +relationship: has_role CHEBI:37848 ! plant hormone + +[Term] +id: CHEBI:68488 +name: alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion + +[Term] +id: CHEBI:68489 +name: alkyl,acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36313 ! glycerophosphocholine +is_a: CHEBI:78189 ! alkylacylglycero-3-phosphocholine + +[Term] +id: CHEBI:68490 +name: alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:78225 ! alkyl,acylglycero-3-phospho-L-serine(1-) + +[Term] +id: CHEBI:68492 +name: dTDP-4-amino-4,6-dideoxy-alpha-D-galactose(1-) +is_a: CHEBI:57596 ! dTDP-4-amino-4,6-dideoxy-D-galactose(1-) + +[Term] +id: CHEBI:68493 +name: dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose(2-) +is_a: CHEBI:61562 ! dTDP-4-acetamido-4,6-dideoxy-D-galactose(2-) + +[Term] +id: CHEBI:68494 +name: apoptosis inhibitor +is_a: CHEBI:35222 ! inhibitor +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:68495 +name: apoptosis inducer +is_a: CHEBI:52206 ! biochemical role + +[Term] +id: CHEBI:68497 +name: lysophosphatidylserine(1-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:78221 ! monoacylglycero-3-phospho-L-serine(1-) + +[Term] +id: CHEBI:68498 +name: lysophosphatidyl-1D-myo-inositol(1-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:78234 ! monoacylglycero-3-phospho-1-inositol(1-) + +[Term] +id: CHEBI:685 +name: 1-organyl-2-acetyl-sn-glycero-3-phospholipid(1-) +is_a: CHEBI:62643 ! anionic phospholipid + +[Term] +id: CHEBI:68501 +name: dTDP-4-amino-4,6-dideoxy-alpha-D-glucose(1-) +is_a: CHEBI:57582 ! dTDP-4-amino-4,6-dideoxy-D-glucose(1-) + +[Term] +id: CHEBI:68506 +name: (S)-3-ammonio-3-phenylpropanoate +is_a: CHEBI:68527 ! 3-ammonio-3-phenylpropanoate + +[Term] +id: CHEBI:68507 +name: UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine +is_a: CHEBI:16435 ! UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine + +[Term] +id: CHEBI:68508 +name: diethyl maleate +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:35486 ! maleate ester +relationship: has_role CHEBI:68509 ! glutathione depleting agent + +[Term] +id: CHEBI:68509 +name: glutathione depleting agent +is_a: CHEBI:24432 ! biological role + +[Term] +id: CHEBI:68510 +name: lysophosphatidylserine +is_a: CHEBI:52565 ! acylglycerophosphoserine [Term] -id: CHEBI:17700 -name: undecan-2-one -is_a: CHEBI:18044 ! dialkyl ketone -is_a: CHEBI:51867 ! methyl ketone -relationship: has_role CHEBI:33288 ! rodenticide -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:68516 +name: dTDP-4-amino-4,6-dideoxy-alpha-D-galactose +is_a: CHEBI:15972 ! dTDP-4-amino-4,6-dideoxy-D-galactose [Term] -id: CHEBI:17701 -name: benzenediol -is_a: CHEBI:33570 ! benzenediols +id: CHEBI:68518 +name: dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose +is_a: CHEBI:61661 ! dTDP-4-acetamido-4,6-dideoxy-D-galactose [Term] -id: CHEBI:17709 -name: 5'-adenylyl sulfate -is_a: CHEBI:16826 ! acyl monophosphate -is_a: CHEBI:37096 ! adenosine 5'-phosphate -is_a: CHEBI:37875 ! acyl sulfate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68520 +name: alkyl,acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:36314 ! glycerophosphoethanolamine [Term] -id: CHEBI:17710 -name: (R)-mevalonic acid -is_a: CHEBI:25351 ! mevalonic acid +id: CHEBI:68521 +name: alkyl,acyl-sn-glycero-3-phosphoserine +is_a: CHEBI:35766 ! glycerophosphoserine [Term] -id: CHEBI:17713 -name: 2'-deoxyadenosine 5'-monophosphate -is_a: CHEBI:19237 ! 2'-deoxyadenosine 5'-phosphate -is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:68523 +name: dTDP-4-amino-4,6-dideoxy-alpha-D-glucose +is_a: CHEBI:15952 ! dTDP-4-amino-4,6-dideoxy-D-glucose [Term] -id: CHEBI:17716 -name: lactose -is_a: CHEBI:24405 ! glycosylglucose -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68525 +name: (S)-3-amino-3-phenylpropanoic acid +is_a: CHEBI:68528 ! 3-amino-3-phenylpropanoic acid [Term] -id: CHEBI:17721 -name: (S,S,S)-nicotianamine -is_a: CHEBI:25520 ! nicotianamine -relationship: has_role CHEBI:35457 ! EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor -relationship: has_role CHEBI:38161 ! chelator -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:68527 +name: 3-ammonio-3-phenylpropanoate +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:17728 -name: S-methyl-L-methionine -is_a: CHEBI:26830 ! sulfonium compound -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68528 +name: 3-amino-3-phenylpropanoic acid +is_a: CHEBI:33706 ! beta-amino acid [Term] -id: CHEBI:17737 -name: desmosterol -is_a: CHEBI:131619 ! C27-steroid -is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid -is_a: CHEBI:35348 ! 3beta-sterol -is_a: CHEBI:50401 ! cholestanoid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68530 +name: [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate +is_a: CHEBI:63563 ! oligosaccharide derivative [Term] -id: CHEBI:17745 -name: coniferol -is_a: CHEBI:134251 ! guaiacols -is_a: CHEBI:26004 ! phenylpropanoid -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:64477 ! monolignol -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:68546 +name: phosphate group(2-) +is_a: CHEBI:64776 ! inorganic anionic group [Term] -id: CHEBI:17748 -name: thymidine -is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68549 +name: diphosphate group(3-) +is_a: CHEBI:64776 ! inorganic anionic group [Term] -id: CHEBI:17750 -name: glycine betaine -is_a: CHEBI:22860 ! amino-acid betaine -is_a: CHEBI:24373 ! glycine derivative -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:68560 +name: UDP-N-acetyl-6-(alpha-D-galactose-1-phosphonato)-alpha-D-glucosamine(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:17754 -name: glycerol -is_a: CHEBI:17522 ! alditol -is_a: CHEBI:27136 ! triol -relationship: has_role CHEBI:25728 ! osmolyte -relationship: has_role CHEBI:27780 ! detergent -relationship: has_role CHEBI:46787 ! solvent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:68563 +name: P2Y12 receptor antagonist +is_a: CHEBI:91079 ! purinergic receptor P2 antagonist [Term] -id: CHEBI:17755 -name: cystathionine -is_a: CHEBI:16385 ! organic sulfide -is_a: CHEBI:23505 ! cystathionines -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:68576 +name: dTDP-6-deoxy-beta-L-talose(2-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58099 ! dTDP-6-deoxy-L-talose(2-) [Term] -id: CHEBI:17756 -name: (S)-mandelate -is_a: CHEBI:25147 ! mandelate +id: CHEBI:68588 +name: germacrane sesquiterpenoid +is_a: CHEBI:26658 ! sesquiterpenoid [Term] -id: CHEBI:17757 -name: plastoquinone -is_a: CHEBI:35795 ! polyprenylbenzoquinone +id: CHEBI:68612 +name: EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor +is_a: CHEBI:76788 ! EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor [Term] -id: CHEBI:17761 -name: ceramide -is_a: CHEBI:26739 ! sphingolipid -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:68623 +name: UDP-N-acetyl-alpha-D-mannosamine(2-) +is_a: CHEBI:57715 ! UDP-N-acetyl-D-mannosamine(2-) [Term] -id: CHEBI:17767 -name: D-mannonate -is_a: CHEBI:33526 ! mannonate -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68624 +name: cis-abienol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:17774 -name: pimelate(1-) -is_a: CHEBI:133773 ! pimelate -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68625 +name: valerena-4,7(11)-diene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:17781 -name: lumichrome -is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:68636 +name: p-hydroxyphenylbut-3-ene-2-one +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:51689 ! enone [Term] -id: CHEBI:17790 -name: methanol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:50584 ! alkyl alcohol -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite -relationship: has_role CHEBI:33292 ! fuel -relationship: has_role CHEBI:48360 ! amphiprotic solvent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68645 +name: 2,4-diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:63349 ! trideoxyhexose derivative [Term] -id: CHEBI:17796 -name: L-idonate -is_a: CHEBI:33529 ! idonate -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68649 +name: pentalenate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:17797 -name: aldehydo-D-ribose 5-phosphate -is_a: CHEBI:78679 ! D-ribose 5-phosphate +id: CHEBI:68650 +name: 1-deoxypentalenate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:17803 -name: dehydro-D-arabinono-1,4-lactone -is_a: CHEBI:37581 ! gamma-lactone -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:68651 +name: alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17808 -name: IDP -is_a: CHEBI:24843 ! inosine phosphate -is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:68652 +name: N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17814 -name: salicin -is_a: CHEBI:22743 ! benzyl alcohols -is_a: CHEBI:28749 ! aryl beta-D-glucoside -is_a: CHEBI:33857 ! aromatic primary alcohol -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug -relationship: has_role CHEBI:35481 ! non-narcotic analgesic -relationship: has_role CHEBI:35493 ! antipyretic -relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor -relationship: has_role CHEBI:50266 ! prodrug +id: CHEBI:68653 +name: [alpha-D-GalNAc-(1->4)]4-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17821 -name: thymine -is_a: CHEBI:26432 ! pyrimidine nucleobase -is_a: CHEBI:38337 ! pyrimidone -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68654 +name: [alpha-D-GalNAc-(1->4)]2-[beta-D-Glc-(1->3)]-[alpha-D-GalNAc-(1->4)]2-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17822 -name: serine -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:24712 ! hydroxymethyl group -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:68655 +name: Delta(6)-protoilludene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:17823 -name: calcitriol -is_a: CHEBI:27136 ! triol -is_a: CHEBI:47042 ! hydroxycalciol -is_a: CHEBI:73558 ! D3 vitamins -relationship: has_role CHEBI:24621 ! hormone -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:33229 ! vitamin -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38807 ! calcium channel agonist -relationship: has_role CHEBI:38808 ! calcium channel modulator -relationship: has_role CHEBI:50646 ! bone density conservation agent -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:50748 ! antipsoriatic -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68658 +name: (+)-epi-alpha-bisabolol +is_a: CHEBI:26658 ! sesquiterpenoid [Term] -id: CHEBI:17824 -name: propan-2-ol -is_a: CHEBI:35681 ! secondary alcohol -relationship: has_role CHEBI:48356 ! protic solvent +id: CHEBI:68665 +name: pentalenic acid +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:17833 -name: gentamycin -is_a: CHEBI:22479 ! amino cyclitol glycoside -is_a: CHEBI:22507 ! aminoglycoside antibiotic +id: CHEBI:68666 +name: (-)-alpha-isocomene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:17836 -name: 4-aminobenzoate -is_a: CHEBI:22494 ! aminobenzoate -is_a: CHEBI:63473 ! aromatic amino-acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68667 +name: (E)-2-epi-beta-caryophyllene +is_a: CHEBI:35189 ! sesquiterpene +is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:17837 -name: D-tagatose 6-phosphate -is_a: CHEBI:49094 ! tagatose 6-phosphate +id: CHEBI:68668 +name: legionaminate(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:17842 -name: trypanothione -is_a: CHEBI:24337 ! glutathione derivative +id: CHEBI:68669 +name: N,N-diacetyllegionaminate +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:17843 -name: transfer RNA -is_a: CHEBI:33697 ! ribonucleic acid +id: CHEBI:68670 +name: CMP-N,N-diacetyllegionaminate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:17847 -name: p-cresol -is_a: CHEBI:25399 ! cresol -relationship: has_role CHEBI:64584 ! uremic toxin -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68671 +name: CMP-N-acyl-beta-neuraminate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:17855 -name: triglyceride -is_a: CHEBI:47778 ! glyceride +id: CHEBI:68672 +name: N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17859 -name: glutaric acid -is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:68675 +name: dTDP-4-acetamido-4,6-dideoxy-alpha-D-glucose(2-) +is_a: CHEBI:61383 ! dTDP-4-acetamido-4,6-dideoxy-D-glucose(2-) [Term] -id: CHEBI:17872 -name: 2-oxo-2H-pyran-4,6-dicarboxylic acid -is_a: CHEBI:36197 ! pyrandicarboxylic acid +id: CHEBI:68676 +name: legionaminic acid +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:63394 ! ketoaldonic acid derivative [Term] -id: CHEBI:17877 -name: FADH2 -is_a: CHEBI:24040 ! flavin adenine dinucleotide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68677 +name: dTDP-4-acetamido-4,6-dideoxy-alpha-D-glucose +is_a: CHEBI:28294 ! dTDP-4-acetamido-4,6-dideoxy-D-glucose [Term] -id: CHEBI:17883 -name: hydrogen chloride -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:18140 ! hydrogen halide -is_a: CHEBI:23117 ! chlorine molecular entity -is_a: CHEBI:37176 ! mononuclear parent hydride -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:68678 +name: UDP-N-acetyl-alpha-D-mannosamine +is_a: CHEBI:16287 ! UDP-N-acetyl-D-mannosamine [Term] -id: CHEBI:17891 -name: donor -is_a: CHEBI:51086 ! chemical role +id: CHEBI:68679 +name: dTDP-6-deoxy-beta-L-talose +is_a: CHEBI:17307 ! dTDP-6-deoxy-L-talose [Term] -id: CHEBI:17893 -name: (2R)-2-hydroxy monocarboxylic acid -is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +id: CHEBI:68681 +name: UDP-N-acetyl-6-(alpha-D-galactose-1-phospho)-alpha-D-glucosamine +is_a: CHEBI:35262 ! UDP-amino sugar [Term] -id: CHEBI:17895 -name: L-tyrosine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:18186 ! tyrosine -is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:64416 ! EC 1.3.1.43 (arogenate dehydrogenase) inhibitor -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:68682 +name: N,N-diacetyllegionaminic acid +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:63394 ! ketoaldonic acid derivative [Term] -id: CHEBI:17898 -name: all-trans-retinal -is_a: CHEBI:15035 ! retinal -relationship: has_role CHEBI:67195 ! gap junctional intercellular communication inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68683 +name: CMP-N,N-diacetyllegionaminic acid +is_a: CHEBI:20878 ! CMP-sugar [Term] -id: CHEBI:17902 -name: N-carbamoylputrescine -is_a: CHEBI:26406 ! N-substituted putrescine +id: CHEBI:68684 +name: methylphosphonate(1-) +is_a: CHEBI:59635 ! organophosphonate oxoanion [Term] -id: CHEBI:17905 -name: coenzyme M -is_a: CHEBI:29256 ! thiol -is_a: CHEBI:33551 ! organosulfonic acid -relationship: has_role CHEBI:23354 ! coenzyme +id: CHEBI:68685 +name: alpha-D-ribose 1-methylphosphonate 5-triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:59635 ! organophosphonate oxoanion [Term] -id: CHEBI:17929 -name: N(omega),N(omega)-dimethyl-L-arginine -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:83965 ! L-arginine derivative -is_a: CHEBI:86468 ! dimethylarginine -relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor +id: CHEBI:68686 +name: alpha-D-ribose 1-methylphosphonate 5-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:59635 ! organophosphonate oxoanion [Term] -id: CHEBI:17933 -name: calcidiol -is_a: CHEBI:23824 ! diol -is_a: CHEBI:47042 ! hydroxycalciol -is_a: CHEBI:73558 ! D3 vitamins -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:33229 ! vitamin -relationship: has_role CHEBI:50646 ! bone density conservation agent -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68687 +name: 5-phosphonato-alpha-D-ribose cyclic-1,2-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:17939 -name: puromycin -is_a: CHEBI:26404 ! puromycins -relationship: has_role CHEBI:25605 ! nucleoside antibiotic -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:35441 ! antiinfective agent -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:76891 ! EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor -relationship: has_role CHEBI:76893 ! EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor +id: CHEBI:68688 +name: alpha-D-ribose 1,5-bisphosphate(4-) +is_a: CHEBI:58345 ! D-ribose 1,5-bisphosphate(4-) [Term] -id: CHEBI:17950 -name: beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine -is_a: CHEBI:63415 ! glycodiaosylceramide -is_a: CHEBI:79208 ! beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68689 +name: 5-phospho-alpha-D-ribose cyclic-1,2-phosphate +is_a: CHEBI:35158 ! ribose bisphosphate [Term] -id: CHEBI:17955 -name: 2'-deoxyribonucleoside diphosphate -is_a: CHEBI:16862 ! nucleoside diphosphate +id: CHEBI:6877 +name: trans-isomethyleugenol +is_a: CHEBI:14469 ! isomethyleugenol [Term] -id: CHEBI:17962 -name: CDP-diacylglycerol -is_a: CHEBI:35774 ! CDP-glycerols -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68819 +name: alpha-D-ribose 1,5-bisphosphate +is_a: CHEBI:17994 ! D-ribose 1,5-bisphosphate [Term] -id: CHEBI:17964 -name: pipecolic acid -is_a: CHEBI:26148 ! piperidinemonocarboxylic acid +id: CHEBI:68820 +name: alpha-D-ribose 1-methylphosphonate 5-phosphate +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:37592 ! organic phosphonate [Term] -id: CHEBI:17968 -name: butyrate -is_a: CHEBI:78115 ! fatty acid anion 4:0 -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68822 +name: methylphosphonate(2-) +is_a: CHEBI:71285 ! organophosphonate(2-) [Term] -id: CHEBI:17972 -name: ribonucleoside triphosphate -is_a: CHEBI:17326 ! nucleoside triphosphate +id: CHEBI:68823 +name: alpha-D-ribose 1-methylphosphonate 5-triphosphate(5-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:59635 ! organophosphonate oxoanion [Term] -id: CHEBI:17980 -name: 3'-phospho-5'-adenylyl sulfate -is_a: CHEBI:22251 ! adenosine bisphosphate -is_a: CHEBI:37875 ! acyl sulfate -is_a: CHEBI:64620 ! purine ribonucleoside bisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68824 +name: alpha-D-ribose 1-methylphosphonate 5-triphosphate +is_a: CHEBI:26563 ! ribose triphosphate +is_a: CHEBI:37592 ! organic phosphonate [Term] -id: CHEBI:17983 -name: UDP-L-arabinose -is_a: CHEBI:17297 ! UDP-sugar +id: CHEBI:68825 +name: N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate [Term] -id: CHEBI:17984 -name: acyl-CoA -is_a: CHEBI:140325 ! secondary carboxamide -is_a: CHEBI:37240 ! adenosine 3',5'-bisphosphate -is_a: CHEBI:51277 ! thioester -relationship: has_role CHEBI:62049 ! acyl donor +id: CHEBI:68826 +name: N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:17985 -name: adenosine 3',5'-bismonophosphate -is_a: CHEBI:22251 ! adenosine bisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:68827 +name: alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:17987 -name: benzyl alcohol -is_a: CHEBI:22743 ! benzyl alcohols -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:46787 ! solvent -relationship: has_role CHEBI:48318 ! fragrance +id: CHEBI:68828 +name: 1-deoxy-3-dehydrosphinganine(1+) +is_a: CHEBI:132046 ! Deoxysphingoid base +is_a: CHEBI:83876 ! cationic sphingoid [Term] -id: CHEBI:17992 -name: sucrose -is_a: CHEBI:24407 ! glycosyl glycoside -relationship: has_role CHEBI:25728 ! osmolyte -relationship: has_role CHEBI:50505 ! sweetening agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:68829 +name: [alpha-D-GalNAc-(1->4)]4-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:17996 -name: chloride -is_a: CHEBI:16042 ! halide anion -is_a: CHEBI:33432 ! monoatomic chlorine -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68830 +name: O-decanoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +is_a: CHEBI:87658 ! decanoate ester +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:18000 -name: aralkylamine -is_a: CHEBI:22331 ! alkylamines -is_a: CHEBI:64365 ! aralkylamino compound +id: CHEBI:68831 +name: [alpha-D-GalNAc-(1->4)]2-[beta-D-Glc-(1->3)]-[alpha-D-GalNAc-(1->4)]2-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:18002 -name: (-)-secologanin -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:26407 ! pyrans -is_a: CHEBI:50274 ! secoiridoid glycoside -is_a: CHEBI:51702 ! enoate ester -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:68832 +name: 1-deoxypentalenic acid +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18005 -name: keto-phenylpyruvate -is_a: CHEBI:26008 ! phenylpyruvate -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion -relationship: has_role CHEBI:75050 ! chromogenic compound -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:68836 +name: diphosphate group +is_a: CHEBI:33246 ! inorganic group [Term] -id: CHEBI:18009 -name: NADP(+) -is_a: CHEBI:13390 ! NAD(P)(+) -is_a: CHEBI:25523 ! NADP -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:68837 +name: pectate +is_a: CHEBI:61469 ! polyanionic polymer +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:18012 -name: fumaric acid -is_a: CHEBI:22958 ! butenedioic acid -relationship: has_role CHEBI:64049 ! food acidity regulator -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:68851 +name: poly(glycerol phosphate) anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:61469 ! polyanionic polymer +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:18014 -name: CMP-3-deoxy-alpha-D-manno-octulosonic acid -is_a: CHEBI:20878 ! CMP-sugar +id: CHEBI:6887 +name: methylphenidate +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:51857 ! methyl (S)-phenyl[(S)-piperidin-2-yl]acetate +relationship: has_part CHEBI:51860 ! dexmethylphenidate +relationship: has_role CHEBI:35337 ! central nervous system stimulant +relationship: has_role CHEBI:35471 ! psychotropic drug +relationship: has_role CHEBI:35524 ! sympathomimetic agent +relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor +relationship: has_role CHEBI:37962 ! adrenergic agent +relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor [Term] -id: CHEBI:18019 -name: L-lysine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:22658 ! aspartate family amino acid -is_a: CHEBI:25094 ! lysine -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:35623 ! anticonvulsant -relationship: has_role CHEBI:50733 ! nutraceutical +id: CHEBI:68947 +name: 13-oxo-9Z,11E-ODE +is_a: CHEBI:136531 ! 13-oxo-9,11-octadecadienoic acid +relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite + +[Term] +id: CHEBI:69042 +name: 7-demethylsuberosin +is_a: CHEBI:37912 ! hydroxycoumarin relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:18021 -name: phosphoenolpyruvate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:69080 +name: methyl linoleate +is_a: CHEBI:4986 ! fatty acid methyl ester +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:18022 -name: thiocyanate -is_a: CHEBI:26835 ! sulfur molecular entity -is_a: CHEBI:36828 ! pseudohalide anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:69081 +name: 1-monopalmitoylglycerol +is_a: CHEBI:134127 ! 1-acylglycerol 16:0 +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:18024 -name: D-galacturonic acid -is_a: CHEBI:33830 ! galacturonic acid +id: CHEBI:69136 +name: latrunculin A +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:46733 ! oxabicycloalkane +is_a: CHEBI:48891 ! thiazolidinone +is_a: CHEBI:59780 ! cyclic hemiketal +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:70728 ! actin polymerisation inhibitor [Term] -id: CHEBI:18035 -name: diglyceride -is_a: CHEBI:47778 ! glyceride -is_a: CHEBI:76578 ! disubstituted glycerol -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:691622 +name: 1,3,7-trimethyluric acid +is_a: CHEBI:25810 ! oxopurine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:18038 -name: GDP-L-galactose -is_a: CHEBI:35245 ! GDP-galactose +id: CHEBI:69173 +name: trigoheterin E, (rel)- +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36054 ! benzoate ester +is_a: CHEBI:51914 ! organic heterohexacyclic compound +is_a: CHEBI:55380 ! beta-hydroxy ketone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18044 -name: dialkyl ketone -is_a: CHEBI:17087 ! ketone +id: CHEBI:6923 +name: miconazole +is_a: CHEBI:60911 ! racemate +is_a: CHEBI:87069 ! imidazole antifungal drug +is_a: CHEBI:87071 ! conazole antifungal drug +relationship: has_part CHEBI:82894 ! (R)-miconazole +relationship: has_part CHEBI:82897 ! (S)-miconazole +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:75282 ! ergosterol biosynthesis inhibitor +relationship: has_role CHEBI:82891 ! glucocorticoid receptor antagonist [Term] -id: CHEBI:18050 -name: L-glutamine -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:24318 ! glutamine family amino acid -is_a: CHEBI:28300 ! glutamine -is_a: CHEBI:83813 ! proteinogenic amino acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:69403 +name: carbonarone A +is_a: CHEBI:131906 ! 4-pyranones +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:18053 -name: 1-aminocyclopropanecarboxylic acid +id: CHEBI:69404 +name: pestalamide A +is_a: CHEBI:131906 ! 4-pyranones is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:24002 ! ethylene releasers -relationship: has_role CHEBI:76924 ! plant metabolite +is_a: CHEBI:35356 ! dicarboximide +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:18054 -name: diphthine -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:69579 +name: hederagenin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:26606 ! sapogenin +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:18059 -name: lipid -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:7 +name: (+)-car-3-ene +is_a: CHEBI:35661 ! car-3-ene [Term] -id: CHEBI:18066 -name: UDP-D-glucose -is_a: CHEBI:17297 ! UDP-sugar +id: CHEBI:70031 +name: 2'-hydroxygenistein +is_a: CHEBI:38755 ! hydroxyisoflavone +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:18067 -name: phylloquinone -is_a: CHEBI:26106 ! phylloquinones -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:33229 ! vitamin -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70231 +name: phenazine-1,6-dicarboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:18070 -name: cytochrome c -is_a: CHEBI:4056 ! cytochrome -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:7027 +name: 2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose +is_a: CHEBI:28118 ! muramic acid [Term] -id: CHEBI:18075 -name: dTDP -is_a: CHEBI:27001 ! thymidine phosphate -is_a: CHEBI:37037 ! pyrimidine 2'-deoxyribonucleoside 5'-diphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70315 +name: eburicol +is_a: CHEBI:138029 ! 14alpha-methyl steroid +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:18077 -name: dTTP -is_a: CHEBI:27001 ! thymidine phosphate -is_a: CHEBI:37043 ! pyrimidine 2'-deoxyribonucleoside 5'-triphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70399 +name: meleagrine +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:24995 ! lactam +is_a: CHEBI:33823 ! enol +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:38958 ! indole alkaloid +relationship: has_role CHEBI:76964 ! Penicillium metabolite [Term] -id: CHEBI:18085 -name: glycosaminoglycan -is_a: CHEBI:22506 ! aminoglycan +id: CHEBI:7051 +name: myosmine +is_a: CHEBI:26421 ! pyridines [Term] -id: CHEBI:18087 -name: myo-inositol polyphosphate -is_a: CHEBI:25448 ! myo-inositol phosphate +id: CHEBI:70709 +name: progesterone receptor agonist +is_a: CHEBI:51060 ! hormone agonist [Term] -id: CHEBI:18099 -name: cyclohexanol -is_a: CHEBI:23480 ! cyclohexanols -is_a: CHEBI:35681 ! secondary alcohol -relationship: has_role CHEBI:46787 ! solvent +id: CHEBI:70712 +name: (5Z)-tetradecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:18101 -name: 4-hydroxyphenylacetic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70716 +name: cis-tetradec-5-enoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:36004 ! tetradecenoic acid [Term] -id: CHEBI:18107 -name: xanthosine -is_a: CHEBI:48136 ! xanthosines -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70722 +name: EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor +is_a: CHEBI:76824 ! EC 6.4.1.* (carboxylase) inhibitor [Term] -id: CHEBI:18111 -name: ribosomal RNA -is_a: CHEBI:33697 ! ribonucleic acid +id: CHEBI:70723 +name: reversine +is_a: CHEBI:26401 ! purines +is_a: CHEBI:38785 ! morpholines +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:70724 ! cell dedifferentiation agent +relationship: has_role CHEBI:70725 ! adenosine A3 receptor antagonist +relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor [Term] -id: CHEBI:18123 -name: N-methylnicotinate -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:35285 ! iminium betaine -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78295 ! food component -relationship: has_role CHEBI:84087 ! human urinary metabolite +id: CHEBI:70724 +name: cell dedifferentiation agent +is_a: CHEBI:52206 ! biochemical role [Term] -id: CHEBI:18127 -name: cadaverine -is_a: CHEBI:35411 ! alkane-alpha,omega-diamine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:70725 +name: adenosine A3 receptor antagonist +is_a: CHEBI:71232 ! adenosine receptor antagonist [Term] -id: CHEBI:18133 -name: hexose -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:70726 +name: hesperadin +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:35358 ! sulfonamide +is_a: CHEBI:38459 ! oxindoles +is_a: CHEBI:47989 ! enamine +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor [Term] -id: CHEBI:18135 -name: catechol -is_a: CHEBI:33566 ! catechols -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:62215 ! allelochemical -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:70727 +name: topoisomerase inhibitor +is_a: CHEBI:76830 ! EC 5.99.1.* (miscellaneous isomerase) inhibitor [Term] -id: CHEBI:18136 -name: 3-(2,3-dihydroxyphenyl)propanoic acid -is_a: CHEBI:25384 ! monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:70728 +name: actin polymerisation inhibitor +is_a: CHEBI:35222 ! inhibitor [Term] -id: CHEBI:18139 -name: trimethylamine -is_a: CHEBI:25274 ! methylamines -is_a: CHEBI:32876 ! tertiary amine -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70731 +name: UDP-N-acetyl-alpha-D-mannosaminouronate(3-) +is_a: CHEBI:58578 ! UDP-N-acetyl-D-mannosaminouronate(3-) [Term] -id: CHEBI:18140 -name: hydrogen halide -is_a: CHEBI:33405 ! hydracid -relationship: has_role CHEBI:138103 ! inorganic acid +id: CHEBI:70738 +name: UDP-N-acetyl-alpha-D-mannosaminouronic acid +is_a: CHEBI:28581 ! UDP-N-acetyl-D-mannosaminouronic acid [Term] -id: CHEBI:18153 -name: ethene -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:32878 ! alkene -relationship: has_role CHEBI:37848 ! plant hormone -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:70744 +name: Gly-Pro +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18154 -name: polysaccharide -is_a: CHEBI:16646 ! carbohydrate -is_a: CHEBI:33694 ! biomacromolecule +id: CHEBI:70749 +name: O-hexanoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +is_a: CHEBI:87656 ! hexanoate ester +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:18157 -name: aerobactin -is_a: CHEBI:25095 ! L-lysine derivative -relationship: has_role CHEBI:26672 ! siderophore -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70755 +name: methyltelluronic acid +is_a: CHEBI:33519 ! tellurium oxoacid +is_a: CHEBI:64708 ! one-carbon compound [Term] -id: CHEBI:18170 -name: selenic acid -is_a: CHEBI:33489 ! selenium oxoacid +id: CHEBI:70757 +name: UDP-N-acetyl-alpha-D-muramate(3-) +is_a: CHEBI:58309 ! UDP-N-acetylmuramate(3-) [Term] -id: CHEBI:18179 -name: phosphoinositide -is_a: CHEBI:28874 ! phosphatidylinositol +id: CHEBI:70758 +name: UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alaninate(3-) +is_a: CHEBI:58086 ! UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine(3-) [Term] -id: CHEBI:18186 -name: tyrosine -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:33856 ! aromatic amino acid -relationship: has_part CHEBI:50336 ! 4-hydroxybenzyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:70760 +name: all-trans-retinyl oleate +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:18187 -name: (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate -is_a: CHEBI:37531 ! polyprenol diphosphate +id: CHEBI:70763 +name: tritrans,heptacis-undecaprenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:18208 -name: benzylpenicillin -is_a: CHEBI:17334 ! penicillin -is_a: CHEBI:88187 ! penicillin allergen -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:53000 ! epitope +id: CHEBI:70764 +name: tritrans,heptacis-undecaprenyl phosphate +is_a: CHEBI:27193 ! undecaprenyl phosphate [Term] -id: CHEBI:18211 -name: citrulline -is_a: CHEBI:23324 ! citrullines -relationship: has_role CHEBI:59174 ! hapten -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:70765 +name: UDP-N-acetyl-alpha-D-muramic acid +is_a: CHEBI:17882 ! UDP-N-acetylmuramic acid [Term] -id: CHEBI:18212 -name: selenite(2-) -is_a: CHEBI:33488 ! selenium oxoanion +id: CHEBI:70768 +name: UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine +is_a: CHEBI:17277 ! UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine [Term] -id: CHEBI:18216 -name: alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine -is_a: CHEBI:36543 ! sialotetraosylceramide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70770 +name: Aurora kinase inhibitor +is_a: CHEBI:37699 ! protein kinase inhibitor [Term] -id: CHEBI:18222 -name: xylose -is_a: CHEBI:33916 ! aldopentose -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:70771 +name: 15-methylhexadecasphing-4-enine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:18227 -name: sterigmatocystin -is_a: CHEBI:26759 ! sterigmatocystins -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:70773 +name: capsazepine +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:35676 ! benzazepine +is_a: CHEBI:51276 ! thioureas +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:70774 ! capsaicin receptor antagonist [Term] -id: CHEBI:18228 -name: 1D-myo-inositol 1,3,4-trisphosphate -is_a: CHEBI:25450 ! myo-inositol trisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:70774 +name: capsaicin receptor antagonist +is_a: CHEBI:48706 ! antagonist [Term] -id: CHEBI:18230 -name: chlorophyll a -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:28966 ! chlorophyll +id: CHEBI:70775 +name: N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:18231 -name: arsenic acid -is_a: CHEBI:33407 ! arsenic oxoacid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70776 +name: N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:18233 -name: xyloglucan -is_a: CHEBI:37163 ! glucan -is_a: CHEBI:61266 ! hemicellulose +id: CHEBI:70778 +name: GW 7647 +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35683 ! aryl sulfide +is_a: CHEBI:47857 ! ureas +relationship: has_role CHEBI:70782 ! PPARalpha agonist [Term] -id: CHEBI:18237 -name: glutamic acid -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:50329 ! 2-carboxyethyl group -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:70779 +name: 1-deoxy-11beta-hydroxypentalenate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:18240 -name: 4-hydroxy-L-proline -is_a: CHEBI:20392 ! 4-hydroxyproline -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:84186 ! L-proline derivative +id: CHEBI:70780 +name: 1-deoxy-11-oxopentalenate +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion [Term] -id: CHEBI:18241 -name: 2'-deoxyribonucleoside 5'-monophosphate -is_a: CHEBI:19257 ! 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:37016 ! 2'-deoxyribonucleoside 5'-phosphate +id: CHEBI:70781 +name: PPAR modulator +is_a: CHEBI:52210 ! pharmacological role [Term] -id: CHEBI:18243 -name: dopamine -is_a: CHEBI:33567 ! catecholamine -relationship: has_role CHEBI:35522 ! beta-adrenergic agonist -relationship: has_role CHEBI:35524 ! sympathomimetic agent -relationship: has_role CHEBI:38147 ! cardiotonic drug -relationship: has_role CHEBI:48560 ! dopaminergic agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70782 +name: PPARalpha agonist +is_a: CHEBI:48705 ! agonist +is_a: CHEBI:70781 ! PPAR modulator [Term] -id: CHEBI:18246 -name: (1->4)-beta-D-glucan -is_a: CHEBI:28793 ! beta-D-glucan +id: CHEBI:70783 +name: CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose(2-) +is_a: CHEBI:58283 ! CDP-4-dehydro-3,6-dideoxy-D-glucose(2-) [Term] -id: CHEBI:18248 -name: iron atom -is_a: CHEBI:33356 ! iron group element atom -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70784 +name: CDP-alpha-D-abequose(2-) +is_a: CHEBI:57619 ! CDP-abequose(2-) [Term] -id: CHEBI:18250 -name: chondroitin 4'-sulfate -is_a: CHEBI:37397 ! chondroitin sulfate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:70785 +name: CDP-3,6-dideoxy-alpha-D-glucose(2-) +is_a: CHEBI:58110 ! CDP-3,6-dideoxy-D-glucose(2-) [Term] -id: CHEBI:18252 -name: zymosterol -is_a: CHEBI:35348 ! 3beta-sterol -is_a: CHEBI:50401 ! cholestanoid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70786 +name: C30 botryococcene +is_a: CHEBI:35191 ! triterpene +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18254 -name: ribonucleoside -is_a: CHEBI:33838 ! nucleoside -is_a: CHEBI:47019 ! dihydroxytetrahydrofuran +id: CHEBI:70787 +name: pentalenolactone D(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:18257 -name: ornithine -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:70788 +name: pentalenolactone E(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:18258 -name: 3,3',5-triiodo-L-thyronine -is_a: CHEBI:24863 ! iodophenol -is_a: CHEBI:24864 ! iodothyronine -is_a: CHEBI:53291 ! 2-halophenol -relationship: has_role CHEBI:60311 ! thyroid hormone -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70789 +name: pentalenolactone F(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:18261 -name: N-carbamoyl-beta-alanine -is_a: CHEBI:22823 ! beta-alanine derivative -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:70790 +name: pentalenolactone(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:18262 -name: dodecanoate -is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion -is_a: CHEBI:59558 ! medium-chain fatty acid anion -is_a: CHEBI:76619 ! omega-methyl fatty acid anion -is_a: CHEBI:78119 ! fatty acid anion 12:0 -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:70791 +name: cobalt-precorrin-7(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:18274 -name: 2'-deoxyribonucleoside -is_a: CHEBI:23636 ! deoxyribonucleoside -is_a: CHEBI:47018 ! monohydroxytetrahydrofuran +id: CHEBI:70792 +name: cobalt-precorrin-8(6-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:18276 -name: dihydrogen -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:25362 ! elemental molecule -is_a: CHEBI:33260 ! elemental hydrogen -relationship: has_role CHEBI:15022 ! electron donor -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:33292 ! fuel -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:77974 ! food packaging gas +id: CHEBI:70793 +name: cob(II)yrinate c monoamide(5-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:18282 -name: nucleobase -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:70796 +name: 1-deoxy-11beta-hydroxypentalenic acid +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18283 -name: alpha,alpha-trehalose 6-phosphate -is_a: CHEBI:27084 ! trehalose phosphate -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70797 +name: 1-deoxy-11-oxopentalenic acid +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:35952 ! 5-oxo monocarboxylic acid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18287 -name: L-fucose -is_a: CHEBI:33984 ! fucose -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70798 +name: 15-methylhexadecasphing-4-enine +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:18291 -name: manganese atom -is_a: CHEBI:33352 ! manganese group element atom -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70799 +name: CDP-alpha-D-abequose +is_a: CHEBI:16049 ! CDP-abequose [Term] -id: CHEBI:18292 -name: jasmonic acid -is_a: CHEBI:35871 ! oxo monocarboxylic acid -relationship: has_role CHEBI:24937 ! jasmonates -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:70802 +name: CDP-3,6-dideoxy-alpha-D-glucose +is_a: CHEBI:17338 ! CDP-3,6-dideoxy-D-glucose [Term] -id: CHEBI:18295 -name: histamine +id: CHEBI:70804 +name: imidazol-5-ylacetic acid is_a: CHEBI:24780 ! imidazoles -is_a: CHEBI:64365 ! aralkylamino compound -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +is_a: CHEBI:25384 ! monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18296 -name: chondroitin 6'-sulfate -is_a: CHEBI:37397 ! chondroitin sulfate +id: CHEBI:70805 +name: pentalenolactone D +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37667 ! sesquiterpene lactone +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:18300 -name: maleic acid -is_a: CHEBI:22958 ! butenedioic acid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:70807 +name: pentalenolactone E +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37667 ! sesquiterpene lactone +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:18303 -name: phosphatidyl-L-serine -is_a: CHEBI:52565 ! acylglycerophosphoserine -is_a: CHEBI:60971 ! aminophospholipid -is_a: CHEBI:84135 ! L-serine derivative -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70809 +name: pentalenolactone F +is_a: CHEBI:133131 ! spiro-epoxide +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37667 ! sesquiterpene lactone +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:70813 +name: glutamine derivative +is_a: CHEBI:24315 ! glutamic acid derivative +is_a: CHEBI:83821 ! amino acid derivative [Term] -id: CHEBI:18304 -name: deamido-NAD(+) -is_a: CHEBI:37584 ! nicotinic acid dinucleotide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70815 +name: N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine +is_a: CHEBI:83264 ! beta-D-glucosylceramide [Term] -id: CHEBI:18305 -name: hydroquinone O-beta-D-glucopyranoside -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70816 +name: pentalenolactone +is_a: CHEBI:133131 ! spiro-epoxide +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37667 ! sesquiterpene lactone +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:70817 ! EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:18307 -name: UDP-D-galactose -is_a: CHEBI:17297 ! UDP-sugar -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70817 +name: EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor +is_a: CHEBI:76852 ! EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor [Term] -id: CHEBI:18308 -name: acrylic acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:70819 +name: isovaleryl-L-carnitine +is_a: CHEBI:133447 ! methyl-branched fatty acyl-L-carnitine +is_a: CHEBI:73025 ! O-isovalerylcarnitine +relationship: has_role CHEBI:50646 ! bone density conservation agent [Term] -id: CHEBI:18310 -name: alkane -is_a: CHEBI:24632 ! hydrocarbon -is_a: CHEBI:33653 ! aliphatic compound +id: CHEBI:70820 +name: cob(II)yrinic acid c monoamide +is_a: CHEBI:33906 ! cobalt corrinoid [Term] -id: CHEBI:18315 -name: pyrroloquinoline quinone -is_a: CHEBI:25622 ! orthoquinones -is_a: CHEBI:26461 ! pyrroloquinoline cofactor -is_a: CHEBI:27093 ! tricarboxylic acid -relationship: has_role CHEBI:27314 ! water-soluble vitamin +id: CHEBI:70826 +name: isopentadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:78122 ! fatty acid anion 15:0 [Term] -id: CHEBI:18320 -name: 1,4-dithiothreitol -is_a: CHEBI:23853 ! dithiol -is_a: CHEBI:25189 ! 1,4-dimercaptobutane-2,3-diol -relationship: has_role CHEBI:38161 ! chelator -relationship: has_role CHEBI:63247 ! reducing agent -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70827 +name: isopentadecanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:18332 -name: L-thyroxine -is_a: CHEBI:24863 ! iodophenol -is_a: CHEBI:30660 ! thyroxine -is_a: CHEBI:53291 ! 2-halophenol -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:84144 ! L-phenylalanine derivative -relationship: has_role CHEBI:50671 ! antithyroid drug -relationship: has_role CHEBI:60311 ! thyroid hormone -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70828 +name: 3-dehydro-15-methylhexadecasphinganine(1+) +is_a: CHEBI:84411 ! 3-dehydrosphingoid base(1+) [Term] -id: CHEBI:18333 -name: D-arabinitol -is_a: CHEBI:22605 ! arabinitol +id: CHEBI:70829 +name: 15-methylhexadecasphinganine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:18344 -name: kynurenic acid -is_a: CHEBI:26512 ! quinolinemonocarboxylic acid -is_a: CHEBI:38775 ! monohydroxyquinoline -relationship: has_role CHEBI:48878 ! nicotinic antagonist -relationship: has_role CHEBI:60643 ! NMDA receptor antagonist -relationship: has_role CHEBI:63726 ! neuroprotective agent -relationship: has_role CHEBI:70998 ! G-protein-coupled receptor agonist -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70838 +name: isoheptadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:78124 ! fatty acid anion 17:0 [Term] -id: CHEBI:18346 -name: vanillin -is_a: CHEBI:22698 ! benzaldehydes -is_a: CHEBI:25235 ! monomethoxybenzene -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:35617 ! flavouring agent -relationship: has_role CHEBI:35623 ! anticonvulsant -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:70843 +name: 3-dehydro-15-methylhexadecasphinganine +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:18348 -name: 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate -is_a: CHEBI:37328 ! phosphatidylinositol bisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70845 +name: N-acyl-15-methylhexadecasphinganine +is_a: CHEBI:139048 ! dihydroceramide [Term] -id: CHEBI:18359 -name: holo-[acyl-carrier protein] -is_a: CHEBI:13534 ! acyl-carrier protein -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70846 +name: N-acyl-15-methylhexadecasphing-4-enine +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:18367 -name: phosphate(3-) -is_a: CHEBI:35780 ! phosphate ion -is_a: CHEBI:79387 ! trivalent inorganic anion +id: CHEBI:70848 +name: isopentadecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:18372 -name: 7,8-dihydroneopterin 3'-triphosphate -is_a: CHEBI:25500 ! neopterins -is_a: CHEBI:36942 ! pterin phosphate -is_a: CHEBI:38797 ! dihydropterin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:70850 +name: isoheptadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid [Term] -id: CHEBI:18375 -name: nucleoside 3',5'-cyclic phosphate -is_a: CHEBI:23447 ! cyclic nucleotide +id: CHEBI:70852 +name: 15-methylhexadecasphinganine +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:18376 -name: dermatan sulfate -is_a: CHEBI:35722 ! sulfated glycosaminoglycan -is_a: CHEBI:37395 ! mucopolysaccharide -relationship: has_role CHEBI:50248 ! hematologic agent -relationship: has_role CHEBI:50249 ! anticoagulant +id: CHEBI:70856 +name: 2-halobenzoate +is_a: CHEBI:22718 ! benzoates [Term] -id: CHEBI:18379 -name: nitrile -is_a: CHEBI:23424 ! cyanides -relationship: has_part CHEBI:48819 ! cyano group +id: CHEBI:70859 +name: neopentalenolactone D(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:18385 -name: thiamine(1+) -is_a: CHEBI:26948 ! thiamine -relationship: has_role CHEBI:27314 ! water-soluble vitamin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70860 +name: 3-methyl-1,2-didehydro-2,3-dihydrosqualene +is_a: CHEBI:36615 ! triterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18391 -name: D-gluconate -is_a: CHEBI:24265 ! gluconate +id: CHEBI:70861 +name: 3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene +is_a: CHEBI:36615 ! triterpenoid relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:18395 -name: 2-dehydropantolactone -is_a: CHEBI:47022 ! tetrahydrofurandione +id: CHEBI:70862 +name: 2-halobenzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:36684 ! organohalogen compound [Term] -id: CHEBI:18397 -name: 2-phenylethylamine -is_a: CHEBI:18000 ! aralkylamine -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:50048 ! phenylethylamine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70863 +name: 3-methyl-1,2-didehydro-2,3-dihydrobotryococcene +is_a: CHEBI:36615 ! triterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18401 -name: phenylacetate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70864 +name: 20-methyl-21,22-didehydro-20,21-dihydrobotryococcene +is_a: CHEBI:36615 ! triterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18403 -name: L-arabinitol -is_a: CHEBI:22605 ! arabinitol -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70865 +name: 3,20-dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene +is_a: CHEBI:36615 ! triterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18405 -name: pyridoxal 5'-phosphate -is_a: CHEBI:25340 ! methylpyridines -is_a: CHEBI:36970 ! vitamin B6 phosphate -is_a: CHEBI:38182 ! monohydroxypyridine -is_a: CHEBI:38187 ! pyridinecarbaldehyde -relationship: has_role CHEBI:131699 ! EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70866 +name: neopentalenolactone D +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:37667 ! sesquiterpene lactone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:18407 -name: hydrogen cyanide -is_a: CHEBI:33405 ! hydracid -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:64909 ! poison -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70868 +name: antileishmanial agent +is_a: CHEBI:35820 ! antiprotozoal drug [Term] -id: CHEBI:18411 -name: laminarabiose -is_a: CHEBI:24405 ! glycosylglucose +id: CHEBI:7091 +name: N-(5-phospho-beta-D-ribosyl)anthranilic acid +is_a: CHEBI:21731 ! N-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate [Term] -id: CHEBI:18412 -name: N(omega)-phospho-L-arginine -is_a: CHEBI:26051 ! phosphoamino acid -is_a: CHEBI:64618 ! phosphagen -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:83965 ! L-arginine derivative -relationship: has_role CHEBI:75767 ! animal metabolite +id: CHEBI:70963 +name: 8-hydroxy-dADP +is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate [Term] -id: CHEBI:18419 -name: lactaldehyde -is_a: CHEBI:26282 ! propanals -is_a: CHEBI:50413 ! hydroxyaldehyde -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:70964 +name: 8-hydroxy-dAMP +is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate [Term] -id: CHEBI:18421 -name: superoxide -is_a: CHEBI:26523 ! reactive oxygen species -is_a: CHEBI:33263 ! diatomic oxygen -is_a: CHEBI:36876 ! inorganic radical anion -is_a: CHEBI:61073 ! oxygen radical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70968 +name: 15-methylhexadecaphytosphingosine +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:18422 -name: sulfur dioxide -is_a: CHEBI:48154 ! sulfur oxide -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:78003 ! food bleaching agent -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:70974 +name: heparan sulfate N-acetyl-alpha-D-glucosaminide polyanion +is_a: CHEBI:60164 ! ionic polymer +is_a: CHEBI:61660 ! organic sulfamate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:18504 -name: (1->3,1->4)-beta-D-glucan -is_a: CHEBI:28793 ! beta-D-glucan +id: CHEBI:70975 +name: heparan sulfate alpha-D-glucosaminide 3-sulfate polyanion +is_a: CHEBI:60164 ! ionic polymer +is_a: CHEBI:61660 ! organic sulfamate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:18703 -name: D-pipecolate -is_a: CHEBI:36110 ! pipecolate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:70977 +name: alkane-alpha,omega-diammonium(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:18723 -name: nicotine -is_a: CHEBI:60911 ! racemate -relationship: has_part CHEBI:17688 ! (S)-nicotine -relationship: has_part CHEBI:39162 ! (R)-nicotine -relationship: has_role CHEBI:35471 ! psychotropic drug -relationship: has_role CHEBI:35474 ! anxiolytic drug -relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist -relationship: has_role CHEBI:49110 ! peripheral nervous system drug -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:52290 ! mitogen -relationship: has_role CHEBI:59163 ! biomarker +id: CHEBI:70980 +name: (R)-lactoyl-CoA(4-) +is_a: CHEBI:57382 ! lactoyl-CoA(4-) [Term] -id: CHEBI:18790 -name: (S)-mevalonate -is_a: CHEBI:25350 ! mevalonate +id: CHEBI:70983 +name: 4-hydroxy-15-methylhexadecasphinganine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:18859 -name: 1,2,3-tribromopropane -is_a: CHEBI:22926 ! bromohydrocarbon -is_a: CHEBI:22929 ! bromoalkane +id: CHEBI:70988 +name: N-monoacetylalkane-alpha,omega-diamine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:18917 -name: 1,3-dichloropropan-2-ol -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:36683 ! organochlorine compound -relationship: has_role CHEBI:48356 ! protic solvent -relationship: has_role CHEBI:50684 ! cross-linking reagent +id: CHEBI:70990 +name: 3-hydroxyadipyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:18918 -name: 1,3-dichloropropene -is_a: CHEBI:23162 ! chloropropene -relationship: has_role CHEBI:25491 ! nematicide +id: CHEBI:70991 +name: 15-methylhexadecasphing-4-enine 1-phosphate(1-) +is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) [Term] -id: CHEBI:18946 -name: delta-lactone -is_a: CHEBI:25000 ! lactone +id: CHEBI:70994 +name: hexacyclic triterpenoid +is_a: CHEBI:36615 ! triterpenoid +is_a: CHEBI:51958 ! organic polycyclic compound [Term] -id: CHEBI:19062 -name: 1-methylguanosine -is_a: CHEBI:25307 ! methylguanosine -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:70995 +name: trans-13-methyltetradec-2-enal +is_a: CHEBI:140521 ! 13-methyltetradecenal +is_a: CHEBI:51688 ! enal +is_a: CHEBI:61870 ! monounsaturated fatty aldehyde [Term] -id: CHEBI:19168 -name: 17-oxo steroid -is_a: CHEBI:35789 ! oxo steroid -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:70998 +name: G-protein-coupled receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:19237 -name: 2'-deoxyadenosine 5'-phosphate -is_a: CHEBI:19239 ! 2'-deoxyadenosine phosphate +id: CHEBI:71007 +name: 3-dehydrohexadecasphinganine(1+) +is_a: CHEBI:84411 ! 3-dehydrosphingoid base(1+) [Term] -id: CHEBI:19239 -name: 2'-deoxyadenosine phosphate -is_a: CHEBI:23612 ! deoxyadenosine phosphate +id: CHEBI:71008 +name: 3-dehydrotetradecasphinganine(1+) +is_a: CHEBI:84411 ! 3-dehydrosphingoid base(1+) [Term] -id: CHEBI:19254 -name: purine 2'-deoxyribonucleoside -is_a: CHEBI:18274 ! 2'-deoxyribonucleoside -is_a: CHEBI:60173 ! purine deoxyribonucleoside +id: CHEBI:71009 +name: hexadecasphinganine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:19255 -name: pyrimidine 2'-deoxyribonucleoside -is_a: CHEBI:18274 ! 2'-deoxyribonucleoside -is_a: CHEBI:68472 ! pyrimidine deoxyribonucleoside +id: CHEBI:71010 +name: tetradecasphinganine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:19257 -name: 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +id: CHEBI:71011 +name: hexadecasphing-4-enine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:19260 -name: 2'-deoxyribonucleotide -is_a: CHEBI:19569 ! 2-deoxyribose phosphate -is_a: CHEBI:4431 ! deoxyribonucleotide -is_a: CHEBI:47018 ! monohydroxytetrahydrofuran +id: CHEBI:71017 +name: 1-hydroxy steroid +is_a: CHEBI:35350 ! hydroxy steroid [Term] -id: CHEBI:19331 -name: (2,4,5-trichlorophenoxy)acetate -is_a: CHEBI:23151 ! chlorophenoxyacetate anion +id: CHEBI:71021 +name: 15-methylhexadecasphing-4-enine-1-phosphocholine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:19351 -name: (2,4-dichlorophenoxy)acetate -is_a: CHEBI:23151 ! chlorophenoxyacetate anion +id: CHEBI:71030 +name: 15-methylhexadecasphinganine 1-phosphate(1-) +is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) [Term] -id: CHEBI:19391 -name: 2,6-dibromophenol -is_a: CHEBI:22926 ! bromohydrocarbon -is_a: CHEBI:33625 ! dibromophenol -relationship: has_role CHEBI:76507 ! marine metabolite +id: CHEBI:71034 +name: 13-methyltetradecanal +is_a: CHEBI:17176 ! long-chain fatty aldehyde [Term] -id: CHEBI:1941 -name: 4-(trimethylammonio)butanoic acid -is_a: CHEBI:35267 ! quaternary ammonium ion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:71036 +name: 15-methylhexadecasphing-4-enine 1-phosphate +is_a: CHEBI:77068 ! sphingoid 1-phosphate [Term] -id: CHEBI:19503 -name: propachlor -is_a: CHEBI:13248 ! anilide -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:36683 ! organochlorine compound -relationship: has_role CHEBI:24527 ! herbicide -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:71038 +name: 3-hydroxyadipyl-CoA +is_a: CHEBI:65260 ! 3-hydroxyacyl-CoA [Term] -id: CHEBI:19555 -name: 2-deoxy-D-glucoside -is_a: CHEBI:35436 ! D-glucoside +id: CHEBI:71041 +name: 3-dehydrohexadecasphinganine +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:19564 -name: 2-deoxyribose 1-phosphate -is_a: CHEBI:19569 ! 2-deoxyribose phosphate +id: CHEBI:71043 +name: 3-dehydrotetradecasphinganine +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:19565 -name: 2-deoxyribose 5-phosphate -is_a: CHEBI:19569 ! 2-deoxyribose phosphate +id: CHEBI:71044 +name: 2,3-didehydroadipoyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:19568 -name: 2-deoxyribose bisphosphate -is_a: CHEBI:19569 ! 2-deoxyribose phosphate +id: CHEBI:71045 +name: bisdemethoxycurcumin +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:51689 ! enone +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:78802 ! diarylheptanoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50627 ! EC 3.2.1.1 (alpha-amylase) inhibitor [Term] -id: CHEBI:19569 -name: 2-deoxyribose phosphate -is_a: CHEBI:23634 ! deoxyaldopentose phosphate +id: CHEBI:71046 +name: tetradecasphinganine +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:19573 -name: 2-enoyl-CoA -is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +id: CHEBI:71048 +name: (S)-dihydrocamalexate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:19702 -name: N(2)-methylguanosine -is_a: CHEBI:25307 ! methylguanosine -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:71050 +name: hexadecasphinganine +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:19834 -name: 3',5'-cyclic purine nucleotide -is_a: CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate -is_a: CHEBI:36982 ! cyclic purine nucleotide +id: CHEBI:71052 +name: hexadecasphing-4-enine +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:19929 -name: 3-hydroxy-3-phenylpropionic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +id: CHEBI:71056 +name: 15-methylhexadecasphing-4-enine-1-phosphocholine +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:35786 ! phosphosphingolipid +is_a: CHEBI:36700 ! phosphocholines [Term] -id: CHEBI:19950 -name: 3-O-methylgallate -is_a: CHEBI:22718 ! benzoates +id: CHEBI:71059 +name: 15-methylhexadecasphinganine 1-phosphate +is_a: CHEBI:77068 ! sphingoid 1-phosphate [Term] -id: CHEBI:19982 -name: 3-chloroacrylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:36685 ! chlorocarboxylic acid +id: CHEBI:71156 +name: N-acyl-15-methylhexadecasphing-4-enine-1-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:84404 ! ceramide 1-phosphate(2-) [Term] -id: CHEBI:20056 -name: 3-hydroxy-L-proline -is_a: CHEBI:64368 ! 3-hydroxyproline -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:84186 ! L-proline derivative +id: CHEBI:71163 +name: 2,3-didehydroadipoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA [Term] -id: CHEBI:20067 -name: 3-hydroxybutyric acid -is_a: CHEBI:24684 ! hydroxybutyric acid -is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid -is_a: CHEBI:78954 ! (omega-1)-hydroxy fatty acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:71165 +name: N-acyl-15-methylhexadecasphing-4-enine-1-phosphate +is_a: CHEBI:13956 ! ceramide 1-phosphate [Term] -id: CHEBI:20140 -name: 3-methylquinoline -is_a: CHEBI:48982 ! methylquinoline -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:71175 +name: 7,8-dihydromonapterin +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:38797 ! dihydropterin [Term] -id: CHEBI:20156 -name: 3-oxo-Delta(1) steroid -is_a: CHEBI:47788 ! 3-oxo steroid -is_a: CHEBI:51689 ! enone +id: CHEBI:71177 +name: tetrahydromonapterin +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:30436 ! tetrahydropterin +relationship: has_role CHEBI:23357 ! cofactor [Term] -id: CHEBI:20265 -name: lanostane -is_a: CHEBI:35191 ! triterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:71181 +name: Sir2 inhibitor +is_a: CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor [Term] -id: CHEBI:20346 -name: cinnamyl alcohol beta-D-glucoside -is_a: CHEBI:22798 ! beta-D-glucoside +id: CHEBI:71185 +name: methyl 3-cyano-2-phenylpropanoate +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:25248 ! methyl ester [Term] -id: CHEBI:203600 -name: 1D-myo-inositol 1,4,5-trisphosphate(6-) -is_a: CHEBI:76301 ! inositol phosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:71187 +name: 3beta-hydroxy-4alpha-carboxysteroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47891 ! steroid acid [Term] -id: CHEBI:20391 -name: 4-hydroxy-L-lysine -is_a: CHEBI:24661 ! hydroxy-L-lysine -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:86273 ! 4-hydroxylysine +id: CHEBI:71188 +name: 3-oxocyclopentanecarbonitrile +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:80291 ! aliphatic nitrile [Term] -id: CHEBI:20392 -name: 4-hydroxyproline -is_a: CHEBI:86499 ! monohydroxyproline -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:71189 +name: iminodiacetonitrile +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:51308 ! dinitrile +is_a: CHEBI:80291 ! aliphatic nitrile [Term] -id: CHEBI:20569 -name: EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor -is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor +id: CHEBI:71190 +name: 4-methoxy-4-oxo-3-phenylbutanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:20664 -name: 5beta-cholane -is_a: CHEBI:35519 ! cholane +id: CHEBI:71191 +name: 3-oxocyclopentanecarboxylate +is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion + +[Term] +id: CHEBI:71192 +name: N-(cyanomethyl)glycinate +is_a: CHEBI:33558 ! alpha-amino-acid anion [Term] -id: CHEBI:20702 -name: 2-aminopurines -is_a: CHEBI:22527 ! aminopurine +id: CHEBI:71198 +name: (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoate +is_a: CHEBI:58068 ! 2-hydroxy-6-oxohexa-2,4-dienoate [Term] -id: CHEBI:20706 -name: 6-aminopurines -is_a: CHEBI:22527 ! aminopurine +id: CHEBI:71199 +name: hydroxymethylphosphonate(1-) +is_a: CHEBI:59635 ! organophosphonate oxoanion [Term] -id: CHEBI:20794 -name: 7-methylguanosine -is_a: CHEBI:25307 ! methylguanosine -is_a: CHEBI:25697 ! organic cation -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:71203 +name: beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc +is_a: CHEBI:62130 ! beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc +relationship: has_role CHEBI:53000 ! epitope [Term] -id: CHEBI:20814 -name: phenanthrene-9,10-diol -is_a: CHEBI:37453 ! phenanthrenediol +id: CHEBI:71207 +name: (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid +is_a: CHEBI:17236 ! 2-hydroxy-6-oxohexa-2,4-dienoic acid [Term] -id: CHEBI:20847 -name: ADP-glycero-D-manno-heptose -is_a: CHEBI:17193 ! ADP-aldose +id: CHEBI:71209 +name: N-(cyanomethyl)glycine +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:80291 ! aliphatic nitrile [Term] -id: CHEBI:20857 -name: C-glycosyl compound -is_a: CHEBI:63161 ! glycosyl compound -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:71211 +name: (4-coumaroyl)acetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:20858 -name: C19-gibberellin -is_a: CHEBI:24250 ! gibberellin +id: CHEBI:71212 +name: prohormone +is_a: CHEBI:24432 ! biological role [Term] -id: CHEBI:20859 -name: C20-gibberellin -is_a: CHEBI:24250 ! gibberellin +id: CHEBI:71213 +name: 3-oxocyclopentanecarboxylic acid +is_a: CHEBI:35950 ! 4-oxo monocarboxylic acid +is_a: CHEBI:36132 ! alicyclic ketone [Term] -id: CHEBI:20878 -name: CMP-sugar -is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar +id: CHEBI:71214 +name: 4-methoxy-4-oxo-3-phenylbutanoic acid +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester [Term] -id: CHEBI:20961 -name: D-galactoside -is_a: CHEBI:24163 ! galactoside +id: CHEBI:71215 +name: (4-coumaroyl)acetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:21006 -name: D-glucose monophosphate -is_a: CHEBI:21008 ! glucose phosphate +id: CHEBI:71221 +name: feruloylacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:21008 -name: glucose phosphate -is_a: CHEBI:21037 ! aldohexose phosphate +id: CHEBI:71224 +name: flavan-3,3',4',5,5',7-hexol +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:72010 ! hydroxyflavan [Term] -id: CHEBI:21037 -name: aldohexose phosphate -is_a: CHEBI:35131 ! aldose phosphate -is_a: CHEBI:47878 ! hexose phosphate +id: CHEBI:71227 +name: (+)-epigallocatechin +is_a: CHEBI:71224 ! flavan-3,3',4',5,5',7-hexol [Term] -id: CHEBI:21054 -name: mannonic acid -is_a: CHEBI:33752 ! hexonic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:71230 +name: dihydrochalcones +is_a: CHEBI:72544 ! flavonoids +is_a: CHEBI:76224 ! aromatic ketone [Term] -id: CHEBI:21080 -name: ribose diphosphate -is_a: CHEBI:26562 ! ribose phosphate +id: CHEBI:71231 +name: dihydrochalcone +is_a: CHEBI:71230 ! dihydrochalcones +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:21100 -name: D-altrarate(1-) -is_a: CHEBI:35389 ! altrarate(1-) +id: CHEBI:71232 +name: adenosine receptor antagonist +is_a: CHEBI:48706 ! antagonist [Term] -id: CHEBI:21101 -name: D-altraric acid -is_a: CHEBI:26847 ! altraric acid +id: CHEBI:71233 +name: 3-nitrotyramine +is_a: CHEBI:27175 ! tyramines +is_a: CHEBI:86421 ! 2-nitrophenols [Term] -id: CHEBI:21165 -name: GDP-alpha-D-mannosylchitobiosyldiphosphodolichol -is_a: CHEBI:23102 ! chitobiosyldiphosphodolichol -is_a: CHEBI:35244 ! nucleotide-oligosaccharide +id: CHEBI:71234 +name: N-acyl-15-methylhexadecaphytosphingosine +is_a: CHEBI:139051 ! phytoceramide [Term] -id: CHEBI:21167 -name: GDP-hexose -is_a: CHEBI:21169 ! GDP-sugar +id: CHEBI:71235 +name: 4-hydroxy-3-nitrophenylacetaldehyde +is_a: CHEBI:25973 ! phenylacetaldehydes +is_a: CHEBI:86421 ! 2-nitrophenols [Term] -id: CHEBI:21168 -name: GDP-mannose -is_a: CHEBI:21167 ! GDP-hexose -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:71236 +name: feruloylacetyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:21169 -name: GDP-sugar -is_a: CHEBI:64711 ! purine nucleotide-sugar +id: CHEBI:71237 +name: thiophene-2-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:21188 -name: L-2'-bromophenylalanine -is_a: CHEBI:22933 ! bromophenylalanine +id: CHEBI:71239 +name: (2Z)-4-carboxylato-2-sulfanylbut-2-enoyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:21208 -name: L-3'-bromophenylalanine -is_a: CHEBI:22933 ! bromophenylalanine +id: CHEBI:71241 +name: thiophene-2-carboxylic acid +is_a: CHEBI:48436 ! thiophenecarboxylic acid [Term] -id: CHEBI:21212 -name: L-4'-bromophenylalanine -is_a: CHEBI:22933 ! bromophenylalanine +id: CHEBI:71242 +name: malonyl-CoA methyl ester(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:21239 -name: arogenic acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:71243 +name: (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:21241 -name: vitamin C -is_a: CHEBI:27314 ! water-soluble vitamin -is_a: CHEBI:85046 ! skin lightening agent +id: CHEBI:71244 +name: malonyl-CoA methyl ester +is_a: CHEBI:17984 ! acyl-CoA +is_a: CHEBI:25248 ! methyl ester [Term] -id: CHEBI:21336 -name: L-idonic acid -is_a: CHEBI:21337 ! idonic acid +id: CHEBI:7125 +name: 2-acetamido-2-deoxy-D-glucopyranose 1-phosphate +is_a: CHEBI:21519 ! N-acetyl-D-glucosamine 1-phosphate +relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:21337 -name: idonic acid -is_a: CHEBI:33752 ! hexonic acid +id: CHEBI:71259 +name: selenodiglutathione(2-) +is_a: CHEBI:29067 ! carboxylic acid anion [Term] -id: CHEBI:21376 -name: rhamnonic acid -is_a: CHEBI:33752 ! hexonic acid +id: CHEBI:71261 +name: S-(2-hydroxyacyl)glutathione(1-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:21397 -name: L-altrarate(1-) -is_a: CHEBI:35389 ! altrarate(1-) -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:71265 +name: glutathioselenol(1-) +is_a: CHEBI:29067 ! carboxylic acid anion [Term] -id: CHEBI:21398 -name: L-altraric acid -is_a: CHEBI:26847 ! altraric acid -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:71266 +name: pyrazine-2-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:21437 -name: Mo-molybdopterin cofactor -is_a: CHEBI:25372 ! molybdopterin cofactor -is_a: CHEBI:35202 ! molybdenum coordination entity -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:71274 +name: mannooligosaccharide derivative +is_a: CHEBI:63563 ! oligosaccharide derivative [Term] -id: CHEBI:21509 -name: N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine -is_a: CHEBI:51013 ! beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +id: CHEBI:71277 +name: 4-carboxylato-2-thioxobutanoyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:21524 -name: N-acetyl-D-glucosaminyl groups -is_a: CHEBI:24272 ! glucosaminyl group +id: CHEBI:71285 +name: organophosphonate(2-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:59635 ! organophosphonate oxoanion [Term] -id: CHEBI:21545 -name: N-acetyl-L-amino acid -is_a: CHEBI:21575 ! N-acetyl-amino acid -is_a: CHEBI:21644 ! N-acyl-L-amino acid -is_a: CHEBI:22160 ! acetamides +id: CHEBI:71286 +name: 3-nitrotyramine zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:21547 -name: N-acetyl-L-aspartic acid -is_a: CHEBI:21545 ! N-acetyl-L-amino acid -is_a: CHEBI:21647 ! N-acyl-L-aspartic acid -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:86264 ! rat metabolite +id: CHEBI:71287 +name: 4-hydroxy-3-nitrophenylacetaldehyde(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:21575 -name: N-acetyl-amino acid -is_a: CHEBI:22160 ! acetamides -is_a: CHEBI:22195 ! acetyl-amino acid -is_a: CHEBI:51569 ! N-acyl-amino acid +id: CHEBI:71288 +name: (1->3)-alpha-D-mannooligosaccharide derivative +is_a: CHEBI:71274 ! mannooligosaccharide derivative [Term] -id: CHEBI:21601 -name: N-acetyl-D-hexosamine -is_a: CHEBI:7203 ! N-acetylhexosamine +id: CHEBI:71293 +name: homopolysaccharide derivative +is_a: CHEBI:65212 ! polysaccharide derivative [Term] -id: CHEBI:21615 -name: N-acetyl-D-muramic acid -is_a: CHEBI:47965 ! N-acetylmuramic acid +id: CHEBI:71296 +name: fructan derivative +is_a: CHEBI:71293 ! homopolysaccharide derivative [Term] -id: CHEBI:21619 -name: N-acetylneuraminates -is_a: CHEBI:21663 ! N-acylneuraminates +id: CHEBI:71298 +name: glucan derivative +is_a: CHEBI:37164 ! homopolysaccharide [Term] -id: CHEBI:21622 -name: N-acetylneuraminic acids -is_a: CHEBI:16498 ! N-acylneuraminic acid +id: CHEBI:71300 +name: EC 2.* (transferase) inhibitor +is_a: CHEBI:23924 ! enzyme inhibitor [Term] -id: CHEBI:21635 -name: N-acyl-D-glucosamine 1-phosphate -is_a: CHEBI:21637 ! N-acyl-D-glucosamine phosphate +id: CHEBI:71302 +name: MoO2-molybdopterin cofactor(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:21637 -name: N-acyl-D-glucosamine phosphate -is_a: CHEBI:24269 ! glucosamine phosphate +id: CHEBI:71304 +name: L-gamma-glutamyl-L-amino acid(1-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:21638 -name: N-acylglucosamine -is_a: CHEBI:21656 ! N-acyl-hexosamine -is_a: CHEBI:24271 ! glucosamines +id: CHEBI:71305 +name: WO2-molybdopterin cofactor(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:21644 -name: N-acyl-L-amino acid -is_a: CHEBI:51569 ! N-acyl-amino acid +id: CHEBI:71306 +name: MoO2-molybdopterin cofactor +is_a: CHEBI:21437 ! Mo-molybdopterin cofactor [Term] -id: CHEBI:21647 -name: N-acyl-L-aspartic acid -is_a: CHEBI:21654 ! N-acyl-aspartic acid -is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid -is_a: CHEBI:83978 ! L-aspartic acid derivative +id: CHEBI:71307 +name: WO2-molybdopterin cofactor +is_a: CHEBI:60215 ! W-molybdopterin cofactor [Term] -id: CHEBI:21654 -name: N-acyl-aspartic acid -is_a: CHEBI:22661 ! aspartic acid derivative -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:71308 +name: Mo(VI)-molybdopterin cytosine dinucleotide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:21655 -name: N-acylgalactosamine -is_a: CHEBI:21656 ! N-acyl-hexosamine -is_a: CHEBI:24156 ! galactosamine +id: CHEBI:71310 +name: Mo(VI)-molybdopterin guanine dinucleotide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:21656 -name: N-acyl-hexosamine -is_a: CHEBI:24586 ! hexosamine +id: CHEBI:71311 +name: pyrazine-2-carboxylic acid +is_a: CHEBI:48345 ! pyrazinecarboxylic acid +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:49103 ! drug metabolite [Term] -id: CHEBI:21663 -name: N-acylneuraminates -is_a: CHEBI:25506 ! neuraminates +id: CHEBI:71312 +name: bis(molybdopterin guanine dinucleotide)molybdenum(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:21668 -name: N-alanyl-glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine +id: CHEBI:71313 +name: 4-carboxy-2-thioxobutanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:21675 -name: N-asparaginyl-glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine +id: CHEBI:71315 +name: N'-monoacetylchitobiose-6'-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:21676 -name: N-aspartyl-glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine +id: CHEBI:71316 +name: (2R,4S)-2-methyl-2,4-dihydroxydihydrofuran-3-one +is_a: CHEBI:23824 ! diol +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:47016 ! tetrahydrofuranone [Term] -id: CHEBI:21698 -name: N-cysteinyl-glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine +id: CHEBI:71317 +name: N'-monoacetylchitobiose-6'-phosphate +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:23843 ! disaccharide phosphate [Term] -id: CHEBI:21731 -name: N-glycosyl compound -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:63161 ! glycosyl compound -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:71320 +name: cyclopeptine +is_a: CHEBI:35500 ! 1,4-benzodiazepinone [Term] -id: CHEBI:21732 -name: N-glycyl-glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine +id: CHEBI:71321 +name: fusidate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:21752 -name: N-methyl-L-alpha-amino acid -is_a: CHEBI:21760 ! N-methyl-amino acid -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +id: CHEBI:71332 +name: (3-nitro-4-oxidophenyl)acetate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:21760 -name: N-methyl-amino acid -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:71335 +name: 7,2'-dihydroxy-4'-methoxyisoflavanol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:76250 ! hydroxyisoflavans +is_a: CHEBI:77002 ! methoxyisoflavan [Term] -id: CHEBI:21763 -name: N-methylethanolamine -is_a: CHEBI:23981 ! ethanolamines +id: CHEBI:71337 +name: minocycline(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:21766 -name: N-methylglycines -is_a: CHEBI:66933 ! N-alkylglycine +id: CHEBI:71338 +name: autoinducer +is_a: CHEBI:62488 ! signalling molecule [Term] -id: CHEBI:21787 -name: N-seryl-glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine +id: CHEBI:71339 +name: novobiocin(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:21858 -name: hypusine -is_a: CHEBI:25095 ! L-lysine derivative -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +id: CHEBI:71343 +name: Mo(VI)-molybdopterin guanine dinucleotide +is_a: CHEBI:21437 ! Mo-molybdopterin cofactor +is_a: CHEBI:37146 ! molybdopterin dinucleotide [Term] -id: CHEBI:21860 -name: L-pyrrolysine -is_a: CHEBI:16232 ! N(6)-acyl-L-lysine -is_a: CHEBI:83813 ! proteinogenic amino acid -is_a: CHEBI:91273 ! pyrrolysine +id: CHEBI:71345 +name: norsolorinate anthrone(2-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:21911 -name: N(alpha)-methyl-L-histidines -is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid +id: CHEBI:71346 +name: norsolorinate(2-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:21968 -name: O-phosphoamino acid -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:26051 ! phosphoamino acid -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:71352 +name: L-glucoside +is_a: CHEBI:24278 ! glucoside [Term] -id: CHEBI:21969 -name: O-phosphorylhomoserine -is_a: CHEBI:21968 ! O-phosphoamino acid -is_a: CHEBI:24619 ! homoserine derivative +id: CHEBI:71353 +name: Mo(VI)-molybdopterin cytosine dinucleotide +is_a: CHEBI:21437 ! Mo-molybdopterin cofactor +is_a: CHEBI:37146 ! molybdopterin dinucleotide [Term] -id: CHEBI:21976 -name: o-succinylhomoserine -is_a: CHEBI:24619 ! homoserine derivative +id: CHEBI:71354 +name: norsolorinic acid anthrone +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:46955 ! anthracenes +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:21977 -name: O-(N-acetylglucosamine-1-phosphoryl)-L-serine -is_a: CHEBI:21635 ! N-acyl-D-glucosamine 1-phosphate -is_a: CHEBI:21968 ! O-phosphoamino acid -is_a: CHEBI:84135 ! L-serine derivative +id: CHEBI:71355 +name: beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide +relationship: has_role CHEBI:53000 ! epitope [Term] -id: CHEBI:22063 -name: sulfoxide -is_a: CHEBI:33261 ! organosulfur compound +id: CHEBI:71356 +name: norsolorinic acid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:22080 -name: TDP-sugar -is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar +id: CHEBI:71358 +name: UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N(6)-(L-alanyl)-L-lysyl-D-alanyl-D-alaninate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:22099 -name: UDP-D-galactosamine -is_a: CHEBI:16846 ! UDP-alpha-D-galactosamine +id: CHEBI:71361 +name: 8-oxo-dAMP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:22102 -name: UDP-D-glucosamine -is_a: CHEBI:13497 ! UDP-alpha-D-glucosamine +id: CHEBI:71362 +name: 8-oxo-dADP(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:22152 -name: 2-cis-abscisic acid -is_a: CHEBI:62431 ! abscisic acids -relationship: has_role CHEBI:73191 ! abscisic acid receptor agonist +id: CHEBI:71363 +name: 2-oxo-dADP(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:22153 -name: acaricide -is_a: CHEBI:25944 ! pesticide +id: CHEBI:71365 +name: rifampicin zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:22160 -name: acetamides -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:71392 +name: tetracycline(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:22180 -name: EC 2.2.1.6 (acetolactate synthase) inhibitor -is_a: CHEBI:24527 ! herbicide -is_a: CHEBI:76876 ! EC 2.2.1.* (transketolase/transaldolase) inhibitor +id: CHEBI:71393 +name: adenosine thiamine triphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:22195 -name: acetyl-amino acid -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:71394 +name: adenosine thiamine triphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate [Term] -id: CHEBI:22213 -name: acridines -is_a: CHEBI:39206 ! dibenzopyridine +id: CHEBI:71397 +name: 8-oxo-dADP +is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate [Term] -id: CHEBI:22216 -name: acrylamides -is_a: CHEBI:51751 ! enamide +id: CHEBI:71399 +name: (beta-L-Ara4N)2-(KDO)2-lipid A(2-) +is_a: CHEBI:60086 ! lipid A oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:22221 -name: acyl group -is_a: CHEBI:33247 ! organic group +id: CHEBI:71402 +name: 3-phosphonatopyruvate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:22235 -name: adamantanones -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:51339 ! adamantanes +id: CHEBI:71403 +name: 8-oxo-dAMP +is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate [Term] -id: CHEBI:22251 -name: adenosine bisphosphate -is_a: CHEBI:22256 ! adenosine phosphate -is_a: CHEBI:61078 ! purine nucleoside bisphosphate -is_a: CHEBI:61079 ! ribonucleoside bisphosphate +id: CHEBI:71406 +name: (R)-adrenaline(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:22256 -name: adenosine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate -is_a: CHEBI:61296 ! adenyl ribonucleotide +id: CHEBI:71407 +name: 3-oxooctadecanoyl-CoA(4-) +is_a: CHEBI:136758 ! long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22260 -name: adenosines -is_a: CHEBI:26399 ! purine ribonucleoside +id: CHEBI:71408 +name: 3-hydroxyoctadecanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22271 -name: aflatoxin -is_a: CHEBI:48210 ! cyclopentafurofurochromene -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:71409 +name: (beta-L-Ara4N)2-(KDO)2-lipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:22289 -name: aldaric acid anion -is_a: CHEBI:33721 ! carbohydrate acid anion -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:71410 +name: 7-methyl-3-oxooct-6-enoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:22290 -name: aldaric acid -is_a: CHEBI:33720 ! carbohydrate acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:71412 +name: trans-2-octadecenoyl-CoA(4-) +is_a: CHEBI:139567 ! octadecenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:22297 -name: alditol phosphate -is_a: CHEBI:26816 ! carbohydrate phosphate -is_a: CHEBI:63423 ! alditol derivative +id: CHEBI:71427 +name: isotridecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:22299 -name: aldonate -is_a: CHEBI:33721 ! carbohydrate acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:71429 +name: deaminoneuraminic acid +is_a: CHEBI:24963 ! ketoaldonic acid [Term] -id: CHEBI:22300 -name: aldonic acid phosphate -is_a: CHEBI:26816 ! carbohydrate phosphate +id: CHEBI:71430 +name: 3-oxoisopentadecanoyl-CoA(4-) +is_a: CHEBI:136758 ! long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22301 -name: aldonic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33720 ! carbohydrate acid +id: CHEBI:71435 +name: 3-hydroxyisopentadecanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22307 -name: aldoxime -is_a: CHEBI:25750 ! oxime +id: CHEBI:71437 +name: isotridecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:22313 -name: alkaline earth metal atom -is_a: CHEBI:33318 ! main group element atom -is_a: CHEBI:33521 ! metal atom -is_a: CHEBI:33559 ! s-block element atom +id: CHEBI:71439 +name: 3-oxoisopentadecanoyl-CoA +is_a: CHEBI:137599 ! long-chain 3-oxo-fatty acyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:22314 -name: alkali metal atom -is_a: CHEBI:33318 ! main group element atom -is_a: CHEBI:33521 ! metal atom -is_a: CHEBI:33559 ! s-block element atom +id: CHEBI:71443 +name: 3-hydroxyisopentadecanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:22315 -name: alkaloid -is_a: CHEBI:35352 ! organonitrogen compound -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:71445 +name: 3-oxoisoheptadecanoyl-CoA(4-) +is_a: CHEBI:136758 ! long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22319 -name: alkanesulfinate -is_a: CHEBI:37785 ! organosulfinate oxoanion -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:71446 +name: 3-hydroxyisoheptadecanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:22323 -name: alkyl group -is_a: CHEBI:33248 ! hydrocarbyl group +id: CHEBI:71449 +name: hexadec-9-enoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:78095 ! hexadecenoate [Term] -id: CHEBI:22324 -name: alkyl phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:71451 +name: 3-oxodocosanoyl-CoA(4-) +is_a: CHEBI:136758 ! long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22327 -name: aliphatic sulfide -is_a: CHEBI:16385 ! organic sulfide +id: CHEBI:71453 +name: 3-oxoisoheptadecanoyl-CoA +is_a: CHEBI:137599 ! long-chain 3-oxo-fatty acyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:22331 -name: alkylamines -is_a: CHEBI:32952 ! amine +id: CHEBI:71455 +name: 3-hydroxyicosanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22333 -name: alkylating agent -is_a: CHEBI:25435 ! mutagen +id: CHEBI:71456 +name: 3-hydroxydocosanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22339 -name: alkyne -is_a: CHEBI:33650 ! acyclic acetylene +id: CHEBI:71460 +name: (E)-isopentadec-2-enoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:22385 -name: alpha-D-glucan -is_a: CHEBI:37163 ! glucan +id: CHEBI:71461 +name: isoheptadecanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:22390 -name: alpha-D-glucoside -is_a: CHEBI:35436 ! D-glucoside -is_a: CHEBI:60979 ! alpha-glucoside +id: CHEBI:71462 +name: (E)-isoheptadec-2-enoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:224037 -name: 3-sulfinato-L-alaninate(2-) -is_a: CHEBI:22319 ! alkanesulfinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:71464 +name: palmitoyl ethanolamide +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:35674 ! antihypertensive agent +relationship: has_role CHEBI:63726 ! neuroprotective agent [Term] -id: CHEBI:22455 -name: alpha-hydroxynitrile -is_a: CHEBI:24730 ! hydroxynitrile +id: CHEBI:71465 +name: palmitoleoyl ethanolamide +is_a: CHEBI:134156 ! N-acylethanolamine 16:1 +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85282 ! N-(monounsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:67079 ! anti-inflammatory agent [Term] -id: CHEBI:22478 -name: amino alcohol -is_a: CHEBI:30879 ! alcohol -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:71466 +name: oleoyl ethanolamide +is_a: CHEBI:134158 ! N-acylethanolamine 18:1 +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85282 ! N-(monounsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:70782 ! PPARalpha agonist +relationship: has_role CHEBI:71551 ! EC 3.5.1.23 (ceramidase) inhibitor [Term] -id: CHEBI:22479 -name: amino cyclitol glycoside -is_a: CHEBI:23451 ! cyclitol -is_a: CHEBI:24400 ! glycoside +id: CHEBI:71467 +name: (5Z,8Z,11Z,14Z,17Z)-icosapentaenoylethanolamine +is_a: CHEBI:134162 ! N-acylethanolamine 20:5 +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine +relationship: has_role CHEBI:71554 ! PPARgamma agonist [Term] -id: CHEBI:22480 -name: amino disaccharide -is_a: CHEBI:22483 ! amino oligosaccharide -is_a: CHEBI:63353 ! disaccharide derivative +id: CHEBI:71476 +name: EC 2.3.1.85 (fatty acid synthase) inhibitor +is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor [Term] -id: CHEBI:22483 -name: amino oligosaccharide -is_a: CHEBI:63563 ! oligosaccharide derivative +id: CHEBI:71477 +name: guanosine 3'-diphosphate 5'-triphosphate(7-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion [Term] -id: CHEBI:22485 -name: glucosamine oligosaccharide -is_a: CHEBI:22483 ! amino oligosaccharide +id: CHEBI:71481 +name: (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:22493 -name: aminobenzenesulfonate -is_a: CHEBI:22713 ! arenesulfonate oxoanion -is_a: CHEBI:48975 ! substituted aniline +id: CHEBI:71487 +name: chanoclavine-I aldehyde(1+) +is_a: CHEBI:60521 ! indole alkaloid cation [Term] -id: CHEBI:22494 -name: aminobenzoate -is_a: CHEBI:22718 ! benzoates +id: CHEBI:71488 +name: all-cis-8,11,14,17-icosatetraenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:36033 ! icosatetraenoic acid +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:22495 -name: aminobenzoic acid -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:33856 ! aromatic amino acid +id: CHEBI:71489 +name: (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:22501 -name: aminodiol -is_a: CHEBI:22478 ! amino alcohol -is_a: CHEBI:23824 ! diol +id: CHEBI:71490 +name: precorrin-7(6-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:22506 -name: aminoglycan -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:65212 ! polysaccharide derivative +id: CHEBI:71491 +name: (8Z,11Z,14Z,17Z)-3-oxoicosatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:22507 -name: aminoglycoside antibiotic -is_a: CHEBI:23007 ! carbohydrate-containing antibiotic -is_a: CHEBI:47779 ! aminoglycoside +id: CHEBI:71492 +name: (2R)-3-(3,4-dihydroxyphenyl)lactate +is_a: CHEBI:58279 ! 3-(3,4-dihydroxyphenyl)lactate +is_a: CHEBI:58314 ! (2R)-2-hydroxy monocarboxylic acid anion [Term] -id: CHEBI:22512 -name: aminoimidazole -is_a: CHEBI:24780 ! imidazoles +id: CHEBI:71493 +name: (R)-rosmarinate +is_a: CHEBI:58062 ! rosmarinate +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:225237 -name: 2-phenylethanaminium -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:71494 +name: cis-trans-nepetalactol +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:38606 ! cyclopentapyran [Term] -id: CHEBI:22527 -name: aminopurine -is_a: CHEBI:26401 ! purines +id: CHEBI:71498 +name: 1-O-(4-coumaroyl)-beta-D-glucose +is_a: CHEBI:52782 ! O-acyl carbohydrate [Term] -id: CHEBI:22529 -name: amino sugar phosphate -is_a: CHEBI:28963 ! amino sugar -is_a: CHEBI:33447 ! phospho sugar +id: CHEBI:71499 +name: cyanidin 3-O-\{6-O-[6-O-(4-coumaroyl)-beta-D-glucosyl]-2-O-beta-D-xylosyl-beta-D-galactoside} +is_a: CHEBI:27351 ! xylosylgalactoside +is_a: CHEBI:63571 ! trisaccharide derivative [Term] -id: CHEBI:22557 -name: anhydrohexose -is_a: CHEBI:22558 ! anhydro sugar +id: CHEBI:71500 +name: cyclic di-AMP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:22558 -name: anhydro sugar -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:71501 +name: c-GMP-AMP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:22562 -name: anilines -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:33860 ! aromatic amine +id: CHEBI:71502 +name: beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:21619 ! N-acetylneuraminates +is_a: CHEBI:79218 ! N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) +is_a: CHEBI:88076 ! monosialotriglycosylceramide(1-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:22563 -name: anion -is_a: CHEBI:24870 ! ion +id: CHEBI:71505 +name: anthocyanidin 3-O-[6-O-(4-hydroxycinnamoyl)-beta-D-glucoside] +is_a: CHEBI:22569 ! anthocyanidin glucoside [Term] -id: CHEBI:22565 -name: ansamycin -is_a: CHEBI:24995 ! lactam -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:51026 ! macrocycle +id: CHEBI:71506 +name: anthocyanidin 3-O-beta-D-sambubioside +is_a: CHEBI:71583 ! anthocyanidin glycoside [Term] -id: CHEBI:22580 -name: anthraquinone -is_a: CHEBI:46955 ! anthracenes -is_a: CHEBI:51285 ! acenoquinone +id: CHEBI:71507 +name: anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside +is_a: CHEBI:22569 ! anthocyanidin glucoside [Term] -id: CHEBI:22584 -name: antimycin A -is_a: CHEBI:22702 ! benzamides -is_a: CHEBI:24079 ! formamides -is_a: CHEBI:25000 ! lactone -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor -relationship: has_role CHEBI:35718 ! antifungal agent +id: CHEBI:71509 +name: anthocyanidin 3-O-sophoroside +is_a: CHEBI:71583 ! anthocyanidin glycoside [Term] -id: CHEBI:22586 -name: antioxidant -is_a: CHEBI:51086 ! chemical role +id: CHEBI:71510 +name: anthocyanidin 3,5-di-O-beta-D-glucoside +is_a: CHEBI:22569 ! anthocyanidin glucoside [Term] -id: CHEBI:22587 -name: antiviral agent -is_a: CHEBI:33281 ! antimicrobial agent +id: CHEBI:71511 +name: cyanin betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:22590 -name: arabinan -is_a: CHEBI:37164 ! homopolysaccharide +id: CHEBI:71512 +name: 1-O-vanilloyl-beta-D-glucose +is_a: CHEBI:52782 ! O-acyl carbohydrate [Term] -id: CHEBI:22599 -name: arabinose -is_a: CHEBI:33916 ! aldopentose -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:71513 +name: cyanidin 3,7-di-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:22601 -name: arabinoside -is_a: CHEBI:35312 ! pentoside +id: CHEBI:71515 +name: cyanidin 3-O-beta-D-galactoside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:22603 -name: arabinoxylans -is_a: CHEBI:37166 ! xylan +id: CHEBI:71516 +name: cyanidin 3-O-[beta-D-xylosyl-(1->2)-beta-D-galactoside](1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:22605 -name: arabinitol -is_a: CHEBI:25899 ! pentitol -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:71517 +name: 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:138140 ! 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:22617 -name: arginine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:71519 +name: anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] betaine +is_a: CHEBI:27843 ! cyanidin cation +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:22629 -name: arsenate ion -is_a: CHEBI:35776 ! arsenic oxoanion +id: CHEBI:71522 +name: anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] 5-O-beta-D-glucoside +is_a: CHEBI:22569 ! anthocyanidin glucoside [Term] -id: CHEBI:22632 -name: arsenic molecular entity -is_a: CHEBI:33302 ! pnictogen molecular entity -relationship: has_part CHEBI:27563 ! arsenic atom +id: CHEBI:71531 +name: gypsogenic acid +is_a: CHEBI:24669 ! hydroxy carboxylic acid +is_a: CHEBI:25872 ! pentacyclic triterpenoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent [Term] -id: CHEBI:22633 -name: arsenite ion -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:35776 ! arsenic oxoanion +id: CHEBI:71533 +name: norsolorinate(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:22638 -name: organoarsonic acid -is_a: CHEBI:33406 ! organoarsenic compound +id: CHEBI:71534 +name: (S)-averantin +is_a: CHEBI:64522 ! averantin [Term] -id: CHEBI:22644 -name: arylalkylamine -is_a: CHEBI:22331 ! alkylamines +id: CHEBI:71535 +name: (1'S,5'S)-5'-hydroxyaverantin +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22645 -name: arenecarboxamide -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:62733 ! aromatic amide +id: CHEBI:71536 +name: (1'S,5'R)-5'-hydroxyaverantin +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:22648 -name: arylmercury compound -is_a: CHEBI:25706 ! organomercury compound +id: CHEBI:71537 +name: (1'S,5'S)-averufin +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:59779 ! cyclic ketal +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:22651 -name: ascorbate -is_a: CHEBI:24961 ! ketoaldonate -relationship: has_role CHEBI:22586 ! antioxidant +id: CHEBI:71539 +name: (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:22652 -name: ascorbic acid -is_a: CHEBI:24963 ! ketoaldonic acid +id: CHEBI:71540 +name: isoheptadecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:22653 -name: asparagine -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:35735 ! dicarboxylic acid monoamide -relationship: has_part CHEBI:50330 ! 2-amino-2-oxoethyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:71541 +name: (25S)-Delta(4)-dafachronate +is_a: CHEBI:78358 ! Delta(4)-dafachronate [Term] -id: CHEBI:22658 -name: aspartate family amino acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid +id: CHEBI:71542 +name: (25S)-Delta(7)-dafachronate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:22660 -name: aspartic acid -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:66873 ! C4-dicarboxylic acid -relationship: has_part CHEBI:41402 ! carboxymethyl group -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:71543 +name: rotenoid +is_a: CHEBI:72544 ! flavonoids +is_a: CHEBI:72579 ! tetrahydrochromenochromene [Term] -id: CHEBI:22661 -name: aspartic acid derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:71544 +name: (E)-isopentadec-2-enoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:22676 -name: auxin -is_a: CHEBI:37848 ! plant hormone +id: CHEBI:71550 +name: lathosterone +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:71598 ! 3-oxo Delta(7)-steroid [Term] -id: CHEBI:22682 -name: azobenzenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:37533 ! azo compound +id: CHEBI:71551 +name: EC 3.5.1.23 (ceramidase) inhibitor +is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] -id: CHEBI:22695 -name: base -is_a: CHEBI:51086 ! chemical role +id: CHEBI:71554 +name: PPARgamma agonist +is_a: CHEBI:48705 ! agonist +is_a: CHEBI:70781 ! PPAR modulator [Term] -id: CHEBI:22698 -name: benzaldehydes -is_a: CHEBI:33855 ! arenecarbaldehyde +id: CHEBI:71556 +name: (25S)-Delta(7)-dafachronic acid +is_a: CHEBI:78699 ! Delta(7)-dafachronic acid +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite [Term] -id: CHEBI:22702 -name: benzamides -is_a: CHEBI:22645 ! arenecarboxamide +id: CHEBI:71560 +name: (25S)-Delta(4)-dafachronic acid +is_a: CHEBI:78686 ! Delta(4)-dafachronic acid +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite [Term] -id: CHEBI:22707 -name: benzenetriol -is_a: CHEBI:27136 ! triol -is_a: CHEBI:33853 ! phenols +id: CHEBI:71563 +name: all-cis-8,11,14,17-icosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:22712 -name: benzenes -is_a: CHEBI:33836 ! benzenoid aromatic compound +id: CHEBI:71566 +name: precorrin-7 +is_a: CHEBI:26228 ! precorrin [Term] -id: CHEBI:22713 -name: arenesulfonate oxoanion -is_a: CHEBI:33554 ! organosulfonate oxoanion +id: CHEBI:71567 +name: (25S)-cholestenoate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:22715 -name: benzimidazoles -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:71570 +name: (25R)-Delta(4)-dafachronate +is_a: CHEBI:78358 ! Delta(4)-dafachronate [Term] -id: CHEBI:22718 -name: benzoates -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:71572 +name: (2R)-3-(3,4-dihydroxyphenyl)lactic acid +is_a: CHEBI:17807 ! 3-(3,4-dihydroxyphenyl)lactic acid +is_a: CHEBI:17893 ! (2R)-2-hydroxy monocarboxylic acid [Term] -id: CHEBI:22720 -name: benzodiazepine -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -relationship: has_role CHEBI:50268 ! GABA modulator +id: CHEBI:71573 +name: UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(1-) +is_a: CHEBI:61385 ! UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine(1-) [Term] -id: CHEBI:22723 -name: benzoic acids -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:33859 ! aromatic carboxylic acid +id: CHEBI:71574 +name: (8Z,11Z,14Z,17Z)-3-oxoicosatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:22726 -name: benzophenones -is_a: CHEBI:76224 ! aromatic ketone +id: CHEBI:71576 +name: 30-hydroxy-11-oxo-beta-amyrin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:36130 ! cyclic terpene ketone [Term] -id: CHEBI:22727 -name: benzopyran -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:71577 +name: glycyrrhetaldehyde +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:36130 ! cyclic terpene ketone [Term] -id: CHEBI:22728 -name: benzopyrrole -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38180 ! polycyclic heteroarene +id: CHEBI:71578 +name: cyclic di-AMP +is_a: CHEBI:47037 ! cyclic purine dinucleotide +is_a: CHEBI:61296 ! adenyl ribonucleotide +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite [Term] -id: CHEBI:22729 -name: benzoquinones -is_a: CHEBI:36141 ! quinone +id: CHEBI:71579 +name: methyl red(1-) +is_a: CHEBI:22718 ! benzoates [Term] -id: CHEBI:22736 -name: benzoyl-CoAs -is_a: CHEBI:61940 ! aroyl-CoA +id: CHEBI:71580 +name: c-GMP-AMP +is_a: CHEBI:47037 ! cyclic purine dinucleotide +is_a: CHEBI:61295 ! guanyl ribonucleotide +is_a: CHEBI:61296 ! adenyl ribonucleotide [Term] -id: CHEBI:22743 -name: benzyl alcohols -is_a: CHEBI:33854 ! aromatic alcohol +id: CHEBI:71583 +name: anthocyanidin glycoside +is_a: CHEBI:16366 ! anthocyanidin cation +is_a: CHEBI:24400 ! glycoside [Term] -id: CHEBI:22744 -name: benzyl group -is_a: CHEBI:33452 ! benzylic group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:71584 +name: cyanidin 3,7-di-O-beta-D-glucoside +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:35218 ! anthocyanin cation [Term] -id: CHEBI:22750 -name: benzylisoquinoline alkaloid -is_a: CHEBI:24921 ! isoquinoline alkaloid +id: CHEBI:71586 +name: (3E,5Z)-tetradecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:85110 ! (3E,5Z)-dienoyl-CoA(4-) [Term] -id: CHEBI:22754 -name: berberine alkaloid -is_a: CHEBI:24921 ! isoquinoline alkaloid -is_a: CHEBI:38512 ! dibenzoquinolizine +id: CHEBI:71587 +name: cyanidin 3-O-[beta-D-xylosyl-(1->2)-beta-D-galactoside] +is_a: CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:71583 ! anthocyanidin glycoside [Term] -id: CHEBI:22798 -name: beta-D-glucoside -is_a: CHEBI:35436 ! D-glucoside -is_a: CHEBI:60980 ! beta-glucoside +id: CHEBI:71589 +name: all-cis-icosa-8,11,14-trienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78072 ! icosatrienoate [Term] -id: CHEBI:22823 -name: beta-alanine derivative -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +id: CHEBI:71590 +name: (3E,5Z)-tetradecadienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:22860 -name: amino-acid betaine -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:71591 +name: 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine +is_a: CHEBI:24913 ! isoprenoid +is_a: CHEBI:84135 ! L-serine derivative [Term] -id: CHEBI:22869 -name: bilins -is_a: CHEBI:25046 ! linear tetrapyrrole +id: CHEBI:71592 +name: anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] +is_a: CHEBI:71583 ! anthocyanidin glycoside [Term] -id: CHEBI:22881 -name: biopterins -is_a: CHEBI:26375 ! pterins +id: CHEBI:71596 +name: mycocyclosin +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:65061 ! 2,5-diketopiperazines +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22888 -name: biphenyls -is_a: CHEBI:33836 ! benzenoid aromatic compound -is_a: CHEBI:36820 ! ring assembly -is_a: CHEBI:64459 ! biaryl +id: CHEBI:71598 +name: 3-oxo Delta(7)-steroid +is_a: CHEBI:47788 ! 3-oxo steroid [Term] -id: CHEBI:22894 -name: bis(molybdopterin guanine dinucleotide)molybdenum -is_a: CHEBI:21437 ! Mo-molybdopterin cofactor -is_a: CHEBI:37146 ! molybdopterin dinucleotide +id: CHEBI:71599 +name: pulcherriminic acid +is_a: CHEBI:71632 ! pyrazine N-oxide +is_a: CHEBI:71633 ! hydroxypyrazine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22901 -name: bisphenol -is_a: CHEBI:33853 ! phenols +id: CHEBI:71606 +name: salvianin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:22902 -name: bisphosphoglyceric acid -is_a: CHEBI:24346 ! phosphoglyceric acid +id: CHEBI:71608 +name: cyclo(L-phenylalanyl-L-leucyl) +is_a: CHEBI:65061 ! 2,5-diketopiperazines +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22905 -name: blasticidin -is_a: CHEBI:26440 ! pyrimidine nucleoside -relationship: has_role CHEBI:25605 ! nucleoside antibiotic +id: CHEBI:71609 +name: albonoursin +is_a: CHEBI:65061 ! 2,5-diketopiperazines +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22907 -name: bleomycin -is_a: CHEBI:23089 ! chelate-forming peptide -is_a: CHEBI:24396 ! glycopeptide -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:71613 +name: (25R)-Delta(4)-dafachronic acid +is_a: CHEBI:78686 ! Delta(4)-dafachronic acid [Term] -id: CHEBI:22908 -name: borate -is_a: CHEBI:22909 ! borate ion +id: CHEBI:71616 +name: (25S)-cholestenoic acid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:50401 ! cholestanoid [Term] -id: CHEBI:22909 -name: borate ion -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:33619 ! boron oxoanion +id: CHEBI:71618 +name: cyclo(dehydrophenylalanyl-L-leucyl) +is_a: CHEBI:65061 ! 2,5-diketopiperazines [Term] -id: CHEBI:22912 -name: bornane monoterpenoid -is_a: CHEBI:25409 ! monoterpenoid +id: CHEBI:71619 +name: UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine +is_a: CHEBI:61440 ! UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine [Term] -id: CHEBI:22916 -name: boron molecular entity -is_a: CHEBI:33581 ! boron group molecular entity -relationship: has_part CHEBI:27560 ! boron atom +id: CHEBI:71624 +name: methanetelluronate(1-) +is_a: CHEBI:33520 ! tellurium oxoanion [Term] -id: CHEBI:22917 -name: phytogenic insecticide -is_a: CHEBI:24852 ! insecticide +id: CHEBI:71632 +name: pyrazine N-oxide +is_a: CHEBI:35580 ! N-oxide +is_a: CHEBI:38314 ! pyrazines [Term] -id: CHEBI:22918 -name: branched-chain amino acid -is_a: CHEBI:33709 ! amino acid +id: CHEBI:71633 +name: hydroxypyrazine +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:38314 ! pyrazines [Term] -id: CHEBI:22921 -name: brassinosteroid -is_a: CHEBI:26124 ! phytosteroid +id: CHEBI:71634 +name: hydroxyversicolorone +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:71652 ! anthrafuran +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22926 -name: bromohydrocarbon -is_a: CHEBI:24472 ! halohydrocarbon -is_a: CHEBI:37141 ! organobromine compound +id: CHEBI:71635 +name: versicolorone(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:22927 -name: bromine atom -is_a: CHEBI:24473 ! halogen -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:71636 +name: versiconol acetate(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:22928 -name: bromine molecular entity -is_a: CHEBI:24471 ! halogen molecular entity -relationship: has_part CHEBI:22927 ! bromine atom +id: CHEBI:71637 +name: versiconal hemiacetal acetate +is_a: CHEBI:25838 ! palmitoyl amino acid +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:71652 ! anthrafuran +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22929 -name: bromoalkane -is_a: CHEBI:24469 ! haloalkane -is_a: CHEBI:37141 ! organobromine compound +id: CHEBI:71638 +name: versiconal hemiacetal +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:71652 ! anthrafuran +is_a: CHEBI:71662 ! versiconal [Term] -id: CHEBI:22930 -name: bromoamino acid -is_a: CHEBI:24470 ! haloamino acid -is_a: CHEBI:37158 ! bromocarboxylic acid +id: CHEBI:71639 +name: versiconol +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:22933 -name: bromophenylalanine -is_a: CHEBI:22930 ! bromoamino acid -is_a: CHEBI:25985 ! phenylalanine derivative +id: CHEBI:71648 +name: hydroxybenzoquinone +is_a: CHEBI:132130 ! hydroxyquinone +is_a: CHEBI:22729 ! benzoquinones +is_a: CHEBI:33823 ! enol [Term] -id: CHEBI:22944 -name: butanediols -is_a: CHEBI:23824 ! diol +id: CHEBI:71649 +name: (S)-5'-oxoaverantin +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22954 -name: butanoyl-CoAs -is_a: CHEBI:61905 ! short-chain fatty acyl-CoA +id: CHEBI:71652 +name: anthrafuran +is_a: CHEBI:38163 ! organic heterotetracyclic compound [Term] -id: CHEBI:22958 -name: butenedioic acid -is_a: CHEBI:66873 ! C4-dicarboxylic acid +id: CHEBI:71653 +name: versicolorone tricyclic form +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +is_a: CHEBI:71654 ! versicolorone [Term] -id: CHEBI:22959 -name: butenoic acid -is_a: CHEBI:25413 ! monounsaturated fatty acid -is_a: CHEBI:26666 ! short-chain fatty acid -is_a: CHEBI:59202 ! straight-chain fatty acid +id: CHEBI:71654 +name: versicolorone +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26195 ! polyphenol +relationship: has_role CHEBI:76956 ! Aspergillus metabolite + +[Term] +id: CHEBI:71657 +name: versiconol acetate +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37496 ! tetrahydroxyanthraquinone +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:22961 -name: butenoyl-CoA -is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA -is_a: CHEBI:15469 ! alk-2-enoyl-CoA +id: CHEBI:71661 +name: anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] +is_a: CHEBI:22569 ! anthocyanidin glucoside [Term] -id: CHEBI:22976 -name: cadinene -is_a: CHEBI:35189 ! sesquiterpene -is_a: CHEBI:36785 ! carbobicyclic compound -relationship: has_role CHEBI:27311 ! volatile oil component +id: CHEBI:71662 +name: versiconal +is_a: CHEBI:25838 ! palmitoyl amino acid +is_a: CHEBI:26195 ! polyphenol +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:22984 -name: calcium atom -is_a: CHEBI:22313 ! alkaline earth metal atom -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:71665 +name: (S)-versiconol +is_a: CHEBI:71639 ! versiconol [Term] -id: CHEBI:22985 -name: calcium molecular entity -is_a: CHEBI:33299 ! alkaline earth molecular entity -relationship: has_part CHEBI:22984 ! calcium atom +id: CHEBI:71666 +name: gamma-amino acid anion +is_a: CHEBI:37022 ! amino-acid anion [Term] -id: CHEBI:22986 -name: calcium ionophore -is_a: CHEBI:24869 ! ionophore +id: CHEBI:71670 +name: N-acetyl-L-methionine(1-) +is_a: CHEBI:132957 ! N-acetylmethioninate [Term] -id: CHEBI:22990 -name: camalexin -is_a: CHEBI:24797 ! indole phytoalexin -is_a: CHEBI:38418 ! 1,3-thiazoles -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:71671 +name: aldonate(1-) +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:23000 -name: caprolactams -is_a: CHEBI:24995 ! lactam +id: CHEBI:71673 +name: N-acetyl-D-galactosamine 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:23003 -name: carbamate ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:71674 +name: D-galactosamine 6-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:23004 -name: carbamoyl group -is_a: CHEBI:27207 ! univalent carboacyl group +id: CHEBI:71677 +name: (2S)-2-hydroxy-3,4-diketopentyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:23007 -name: carbohydrate-containing antibiotic -is_a: CHEBI:63299 ! carbohydrate derivative -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:71678 +name: N(6)-(dimethylallyl)adenosine 5'-diphosphate +is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate [Term] -id: CHEBI:23014 -name: carbon oxide -is_a: CHEBI:25701 ! organic oxide -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:71679 +name: N(6)-(dimethylallyl)adenosine 5'-triphosphate +is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate [Term] -id: CHEBI:23018 -name: EC 4.2.1.1 (carbonic anhydrase) inhibitor -is_a: CHEBI:76907 ! EC 4.2.1.* (hydro-lyases) inhibitor +id: CHEBI:71681 +name: D-gamma-glutamyl-D-glutamate(2-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:23019 -name: carbonyl group -is_a: CHEBI:51422 ! organodiyl group +id: CHEBI:71682 +name: cyanidin(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:23042 -name: carotene -is_a: CHEBI:35193 ! tetraterpene +id: CHEBI:71683 +name: D-gamma-glutamyl-D-glutamic acid +is_a: CHEBI:46761 ! dipeptide [Term] -id: CHEBI:23043 -name: epoxycarotenoid -is_a: CHEBI:27325 ! xanthophyll -is_a: CHEBI:32955 ! epoxide +id: CHEBI:71684 +name: (2S)-2-hydroxy-3,4-diketopentyl phosphate +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:25381 ! monoalkyl phosphate +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:51869 ! alpha-diketone [Term] -id: CHEBI:23044 -name: carotenoid -is_a: CHEBI:26935 ! tetraterpenoid +id: CHEBI:71685 +name: L-4-hydroxy-2-oxoglutarate(2-) +is_a: CHEBI:17742 ! 4-hydroxy-2-oxoglutarate(2-) [Term] -id: CHEBI:23045 -name: carotenol -is_a: CHEBI:27325 ! xanthophyll +id: CHEBI:71688 +name: 7-epi-zingiberene +is_a: CHEBI:33643 ! cycloalkene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:26645 ! semiochemical +relationship: has_role CHEBI:71692 ! insect repellent [Term] -id: CHEBI:23053 -name: catechin -is_a: CHEBI:72010 ! hydroxyflavan +id: CHEBI:71692 +name: insect repellent +is_a: CHEBI:24852 ! insecticide [Term] -id: CHEBI:23064 -name: cephalosporanic acid -is_a: CHEBI:23066 ! cephalosporin +id: CHEBI:71711 +name: phosphatidylethanolamine 32:0 +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23066 -name: cephalosporin -is_a: CHEBI:38311 ! cephem -relationship: has_role CHEBI:88188 ! drug allergen +id: CHEBI:71712 +name: phosphatidylethanolamine 32:1 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23079 -name: cerebroside -is_a: CHEBI:17761 ! ceramide -is_a: CHEBI:25513 ! neutral glycosphingolipid +id: CHEBI:71713 +name: phosphatidylethanolamine 32:2 +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23086 -name: chalcones -is_a: CHEBI:51689 ! enone -is_a: CHEBI:72544 ! flavonoids -is_a: CHEBI:76224 ! aromatic ketone +id: CHEBI:71718 +name: phosphatidylethanolamine 34:0 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23089 -name: chelate-forming peptide -is_a: CHEBI:25903 ! peptide antibiotic -relationship: has_role CHEBI:38161 ! chelator +id: CHEBI:71719 +name: 9-ribosyl-trans-zeatin 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:38645 ! N-glycosylzeatin +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:23101 -name: N,N'-diacetylchitobioses -is_a: CHEBI:22480 ! amino disaccharide +id: CHEBI:71720 +name: phosphatidylethanolamine 34:1 +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23102 -name: chitobiosyldiphosphodolichol -is_a: CHEBI:15926 ! dolichyl diphosphooligosaccharide -is_a: CHEBI:23875 ! dolichol phosphate -is_a: CHEBI:37531 ! polyprenol diphosphate +id: CHEBI:71721 +name: phosphatidylethanolamine 34:2 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23114 -name: chloride salt -is_a: CHEBI:23117 ! chlorine molecular entity -is_a: CHEBI:33958 ! halide salt -relationship: has_part CHEBI:17996 ! chloride +id: CHEBI:71727 +name: phosphatidylethanolamine 36:1 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23115 -name: chlorohydrocarbon -is_a: CHEBI:24472 ! halohydrocarbon -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:71728 +name: phosphatidylethanolamine 36:2 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23116 -name: chlorine atom -is_a: CHEBI:24473 ! halogen -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:71729 +name: phosphatidylethanolamine 36:3 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23117 -name: chlorine molecular entity -is_a: CHEBI:24471 ! halogen molecular entity -relationship: has_part CHEBI:23116 ! chlorine atom +id: CHEBI:71730 +name: phosphatidylethanolamine 36:4 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23128 -name: chloroalkane -is_a: CHEBI:24469 ! haloalkane -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:71737 +name: phosphatidylethanolamine 38:4 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23132 -name: chlorobenzenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:71738 +name: phosphatidylethanolamine 38:5 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23133 -name: chlorobenzoate -is_a: CHEBI:22718 ! benzoates +id: CHEBI:71739 +name: phosphatidylethanolamine 38:6 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23134 -name: chlorobenzoic acid -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:36685 ! chlorocarboxylic acid +id: CHEBI:71746 +name: phosphatidylethanolamine 40:6 zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:23135 -name: chlorobenzophenone -is_a: CHEBI:22726 ! benzophenones -is_a: CHEBI:23132 ! chlorobenzenes +id: CHEBI:71875 +name: 9-ribosyl-trans-zeatin 5'-diphosphate +is_a: CHEBI:37038 ! purine ribonucleoside 5'-diphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:38645 ! N-glycosylzeatin +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:23138 -name: chlorocatechol -is_a: CHEBI:23132 ! chlorobenzenes -is_a: CHEBI:33566 ! catechols +id: CHEBI:71938 +name: 9-ribosyl-trans-zeatin 5'-triphosphate +is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate +is_a: CHEBI:38645 ! N-glycosylzeatin +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:23142 -name: chloroethenes -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:36387 ! chloroalkene -is_a: CHEBI:51316 ! haloethene +id: CHEBI:71944 +name: aldehydic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:23148 -name: chloromethanes -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:23128 ! chloroalkane -is_a: CHEBI:39279 ! halomethane +id: CHEBI:71947 +name: tyrocidine +is_a: CHEBI:60004 ! mixture +relationship: has_part CHEBI:29701 ! tyrocidine A +relationship: has_part CHEBI:71948 ! tyrocidine B +relationship: has_part CHEBI:71949 ! tyrocidine C +relationship: has_part CHEBI:71950 ! tyrocidine D [Term] -id: CHEBI:23150 -name: chlorophenol -is_a: CHEBI:23132 ! chlorobenzenes -is_a: CHEBI:38856 ! halophenol +id: CHEBI:71948 +name: tyrocidine B +is_a: CHEBI:24613 ! homodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:51026 ! macrocycle +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:23151 -name: chlorophenoxyacetate anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:71949 +name: tyrocidine C +is_a: CHEBI:24613 ! homodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:51026 ! macrocycle +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:23152 -name: chlorophenoxyacetic acid -is_a: CHEBI:23132 ! chlorobenzenes -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:35618 ! aromatic ether +id: CHEBI:71950 +name: tyrocidine D +is_a: CHEBI:24613 ! homodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:51026 ! macrocycle +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent [Term] -id: CHEBI:23154 -name: chlorophenylethane -is_a: CHEBI:23115 ! chlorohydrocarbon +id: CHEBI:71959 +name: 3-amino-5-hydroxybenzoate +is_a: CHEBI:22494 ! aminobenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate [Term] -id: CHEBI:23156 -name: chlorophenylmethane -is_a: CHEBI:23115 ! chlorohydrocarbon +id: CHEBI:71963 +name: 5-amino-5-deoxy-3-dehydroshikimic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:23162 -name: chloropropene -is_a: CHEBI:36387 ! chloroalkene +id: CHEBI:71964 +name: UDP-alpha-D-kanosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:231935 -name: glycerol 1-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:71965 +name: UDP-3-keto-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:23213 -name: choline ester -is_a: CHEBI:35701 ! ester +id: CHEBI:71968 +name: hydroxyflavonoid +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:38443 ! 1-benzopyran +is_a: CHEBI:47916 ! flavonoid [Term] -id: CHEBI:23217 -name: cholines -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:71980 +name: N-retinylidene-N-retinylethanolamine +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:50334 ! pyridinium ion [Term] -id: CHEBI:23229 -name: chromanol -is_a: CHEBI:23230 ! chromanes -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:71981 +name: beta-D-glucosylsphingosine +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:4177 ! D-glucosylsphingosine [Term] -id: CHEBI:23230 -name: chromanes -is_a: CHEBI:38443 ! 1-benzopyran +id: CHEBI:71982 +name: C20 sphingosine +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:23232 -name: chromenes -is_a: CHEBI:38443 ! 1-benzopyran +id: CHEBI:71983 +name: C20 sphingosine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:23237 -name: chromium molecular entity -is_a: CHEBI:33741 ! chromium group molecular entity -relationship: has_part CHEBI:28073 ! chromium atom +id: CHEBI:71984 +name: C20 dihydroceramide +is_a: CHEBI:139048 ! dihydroceramide [Term] -id: CHEBI:23239 -name: chromopeptide -is_a: CHEBI:25903 ! peptide antibiotic +id: CHEBI:71985 +name: C20 phytoceramide +is_a: CHEBI:139051 ! phytoceramide [Term] -id: CHEBI:23240 -name: chromophore -is_a: CHEBI:52215 ! photochemical role +id: CHEBI:71986 +name: C20 ceramide +is_a: CHEBI:83273 ! N-acylsphingoid [Term] -id: CHEBI:23243 -name: cineole -is_a: CHEBI:25186 ! p-menthane monoterpenoid -is_a: CHEBI:37407 ! cyclic ether -relationship: has_role CHEBI:27311 ! volatile oil component +id: CHEBI:71989 +name: ortho ester +is_a: CHEBI:36963 ! organooxygen compound +is_a: CHEBI:69173 ! trigoheterin E, (rel)- [Term] -id: CHEBI:23248 -name: cinnamate -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:36091 ! cinnamates +id: CHEBI:71993 +name: flavonol(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:23252 -name: cinnamic acids -is_a: CHEBI:78840 ! olefinic compound -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +id: CHEBI:72000 +name: (3E,5Z)-tetradecadienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:23324 -name: citrullines -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:72001 +name: (3E,5Z)-tetradecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:23334 -name: cobalamins -is_a: CHEBI:23341 ! cobamides +id: CHEBI:72003 +name: 3-hydroxyisoheptadecanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:23336 -name: cobalt cation -is_a: CHEBI:33515 ! transition element cation +id: CHEBI:72004 +name: hexadec-9-enoic acid +is_a: CHEBI:24548 ! hexadecenoic acid [Term] -id: CHEBI:23341 -name: cobamides -is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide +id: CHEBI:72006 +name: (E)-isoheptadec-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:23354 -name: coenzyme -is_a: CHEBI:23357 ! cofactor +id: CHEBI:72010 +name: hydroxyflavan +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:38672 ! flavans [Term] -id: CHEBI:23357 -name: cofactor -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:72019 +name: N-octacosanoylsphinganine +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:23366 -name: compatible osmolytes -is_a: CHEBI:25728 ! osmolyte +id: CHEBI:7203 +name: N-acetylhexosamine +is_a: CHEBI:21656 ! N-acyl-hexosamine [Term] -id: CHEBI:23367 -name: molecular entity -is_a: CHEBI:24431 ! chemical entity +id: CHEBI:72058 +name: phosphatidylserine 34:1(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23375 -name: copalyl diphosphate -is_a: CHEBI:36770 ! labdane diterpenoid -is_a: CHEBI:36772 ! diterpenyl phosphate +id: CHEBI:72059 +name: phosphatidylserine 34:2(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23377 -name: copper molecular entity -is_a: CHEBI:33745 ! copper group molecular entity -relationship: has_part CHEBI:28694 ! copper atom +id: CHEBI:72065 +name: phosphatidylserine 36:1(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23378 -name: copper cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:37404 ! elemental copper +id: CHEBI:72066 +name: phosphatidylserine 36:2(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23390 -name: cobalt-corrinoid hexaamide -is_a: CHEBI:33906 ! cobalt corrinoid +id: CHEBI:72067 +name: phosphatidylserine 36:3(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23392 -name: corrins -is_a: CHEBI:33913 ! corrinoid +id: CHEBI:72068 +name: phosphatidylserine 36:4(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23399 -name: coumarate -is_a: CHEBI:36091 ! cinnamates +id: CHEBI:72075 +name: phosphatidylserine 38:4(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23401 -name: coumaric acid -is_a: CHEBI:24688 ! monohydroxycinnamic acid +id: CHEBI:72076 +name: phosphatidylserine 38:5(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23403 -name: coumarins -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:38445 ! chromenone +id: CHEBI:72077 +name: phosphatidylserine 38:6(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23410 -name: cumate -is_a: CHEBI:22718 ! benzoates +id: CHEBI:72084 +name: phosphatidylserine 40:6(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:23412 -name: cumic acid -is_a: CHEBI:22723 ! benzoic acids +id: CHEBI:72290 +name: pyrithiamine +is_a: CHEBI:50334 ! pyridinium ion [Term] -id: CHEBI:23417 -name: cutins -is_a: CHEBI:26178 ! polyester macromolecule -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:33694 ! biomacromolecule +id: CHEBI:72293 +name: monoterpene glycoside +is_a: CHEBI:25409 ! monoterpenoid +is_a: CHEBI:61777 ! terpene glycoside [Term] -id: CHEBI:23423 -name: pseudohalogen oxoacid -is_a: CHEBI:24833 ! oxoacid +id: CHEBI:72316 +name: virulence factor +is_a: CHEBI:27026 ! toxin [Term] -id: CHEBI:23424 -name: cyanides -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:72343 +name: alpha-D-kanosamine +is_a: CHEBI:72725 ! 3-amino-3-deoxy-D-glucopyranose [Term] -id: CHEBI:23436 -name: cyanogenic glycoside -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:24400 ! glycoside -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:72344 +name: alpha-D-kanosamine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:65296 ! primary ammonium ion [Term] -id: CHEBI:23437 -name: cyanohydrin -is_a: CHEBI:22455 ! alpha-hydroxynitrile +id: CHEBI:72346 +name: roseoflavin +is_a: CHEBI:38925 ! benzopteridine +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:23443 -name: cyclic amide -is_a: CHEBI:32988 ! amide +id: CHEBI:72381 +name: lysophosphatidylethanolamine zwitterion 14:0 +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion [Term] -id: CHEBI:23446 -name: cyclic monoterpene ketone -is_a: CHEBI:25408 ! monoterpene ketone -is_a: CHEBI:36130 ! cyclic terpene ketone +id: CHEBI:72384 +name: lysophosphatidylethanolamine zwitterion 16:0 +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion [Term] -id: CHEBI:23447 -name: cyclic nucleotide -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:72387 +name: lysophosphatidylethanolamine zwitterion 18:0 +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion [Term] -id: CHEBI:23448 -name: cyclic oligosaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:72388 +name: lysophosphatidylethanolamine zwitterion 18:1 +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion [Term] -id: CHEBI:23449 -name: cyclic peptide -is_a: CHEBI:16670 ! peptide +id: CHEBI:72389 +name: lysophosphatidylethanolamine zwitterion 18:2 +is_a: CHEBI:67274 ! lysophosphatidylethanolamine zwitterion [Term] -id: CHEBI:23450 -name: cyclitol phosphate -is_a: CHEBI:23451 ! cyclitol -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:72405 +name: lysophosphatidylserine 16:0(1-) +is_a: CHEBI:68497 ! lysophosphatidylserine(1-) [Term] -id: CHEBI:23451 -name: cyclitol -is_a: CHEBI:26191 ! polyol +id: CHEBI:72408 +name: lysophosphatidylserine 18:0(1-) +is_a: CHEBI:68497 ! lysophosphatidylserine(1-) [Term] -id: CHEBI:23453 -name: cycloalkane -is_a: CHEBI:33654 ! alicyclic compound -is_a: CHEBI:33664 ! monocyclic hydrocarbon +id: CHEBI:72409 +name: lysophosphatidylserine 18:1(1-) +is_a: CHEBI:68497 ! lysophosphatidylserine(1-) [Term] -id: CHEBI:23456 -name: cyclodextrin -is_a: CHEBI:17623 ! cyclomaltodextrin -is_a: CHEBI:51026 ! macrocycle +id: CHEBI:72423 +name: phosphatidylcholine 26:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23457 -name: cyclodiene organochlorine insecticide -is_a: CHEBI:25705 ! organochlorine insecticide +id: CHEBI:72427 +name: phosphatidylcholine 37:4 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:23480 -name: cyclohexanols -is_a: CHEBI:30879 ! alcohol +id: CHEBI:72447 +name: 2-deoxystreptamine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:23482 -name: cyclohexanones -is_a: CHEBI:36132 ! alicyclic ketone +id: CHEBI:72453 +name: poly(glycerol phosphate) teichoic acid +is_a: CHEBI:30049 ! teichoic acid [Term] -id: CHEBI:23483 -name: cyclohexenecarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:72454 +name: poly(ribitol phosphate) teichoic acid +is_a: CHEBI:30049 ! teichoic acid [Term] -id: CHEBI:23493 -name: cyclopentanes -is_a: CHEBI:33598 ! carbocyclic compound +id: CHEBI:72455 +name: poly(glucopyranosyl N-acetylgalactosamine 1-phosphate) teichoic acid +is_a: CHEBI:30049 ! teichoic acid [Term] -id: CHEBI:23495 -name: cyclopentanols -is_a: CHEBI:23493 ! cyclopentanes -is_a: CHEBI:30879 ! alcohol +id: CHEBI:72513 +name: sphingomyelin 34:0 +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:23500 -name: cyclopropanecarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:51454 ! cyclopropanes +id: CHEBI:72514 +name: sphingomyelin 34:1 +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:23505 -name: cystathionines -is_a: CHEBI:24610 ! homocysteines +id: CHEBI:72518 +name: sphingomyelin 36:1 +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:23509 -name: cysteine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:72533 +name: sphingomyelin 42:1 +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:23521 -name: cytidine 5'-phosphate -is_a: CHEBI:23523 ! cytidine phosphate +id: CHEBI:72534 +name: sphingomyelin 42:2 +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:23523 -name: cytidine phosphate -is_a: CHEBI:23524 ! cytidines -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:72544 +name: flavonoids +is_a: CHEBI:25806 ! oxygen molecular entity +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:23524 -name: cytidines -is_a: CHEBI:39446 ! pyrimidine ribonucleosides +id: CHEBI:72564 +name: temozolomide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:72565 ! imidazotetrazine +is_a: CHEBI:72573 ! triazene derivative +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50266 ! prodrug [Term] -id: CHEBI:23527 -name: cytochalasin B -is_a: CHEBI:23528 ! cytochalasin -is_a: CHEBI:24995 ! lactam -is_a: CHEBI:25000 ! lactone -is_a: CHEBI:26979 ! organic heterotricyclic compound -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:25442 ! mycotoxin -relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +id: CHEBI:72565 +name: imidazotetrazine +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] -id: CHEBI:23528 -name: cytochalasin -is_a: CHEBI:24897 ! isoindoles +id: CHEBI:72571 +name: pro-angiogenic agent +is_a: CHEBI:50926 ! angiogenesis modulating agent [Term] -id: CHEBI:23530 -name: cytokinin -is_a: CHEBI:37848 ! plant hormone +id: CHEBI:72572 +name: isoflavans +is_a: CHEBI:50753 ! isoflavonoid [Term] -id: CHEBI:23557 -name: dTDP-sugar -is_a: CHEBI:22080 ! TDP-sugar +id: CHEBI:72573 +name: triazene derivative +is_a: CHEBI:51143 ! nitrogen molecular entity [Term] -id: CHEBI:23582 -name: defoliant -is_a: CHEBI:24527 ! herbicide +id: CHEBI:72575 +name: alarm pheromone +is_a: CHEBI:26013 ! pheromone [Term] -id: CHEBI:23612 -name: deoxyadenosine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate -is_a: CHEBI:61297 ! adenyl deoxyribonucleotide +id: CHEBI:72576 +name: aurones +is_a: CHEBI:38830 ! 1-benzofurans +is_a: CHEBI:72544 ! flavonoids [Term] -id: CHEBI:23618 -name: deoxycortisol -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +id: CHEBI:72579 +name: tetrahydrochromenochromene +is_a: CHEBI:133135 ! chromenochromene [Term] -id: CHEBI:23621 -name: deoxycytidine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:72581 +name: rotenones +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:71543 ! rotenoid [Term] -id: CHEBI:23622 -name: deoxygalactose -is_a: CHEBI:23628 ! deoxyhexose +id: CHEBI:72582 +name: Man-1-2-Ins-1-P-Cer(t18:0)(1-) +is_a: CHEBI:139066 ! mannosylinositol-1-phosphophytoceramide(1-) +is_a: CHEBI:64991 ! mannosylinositol phosphophytoceramide(1-) [Term] -id: CHEBI:23623 -name: deoxyglucose -is_a: CHEBI:23628 ! deoxyhexose +id: CHEBI:72584 +name: pentahydroxyflavan +is_a: CHEBI:72010 ! hydroxyflavan [Term] -id: CHEBI:23625 -name: deoxyguanosine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:72587 +name: (R)-noradrenaline(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:23628 -name: deoxyhexose -is_a: CHEBI:23639 ! deoxy sugar -is_a: CHEBI:33917 ! aldohexose +id: CHEBI:72588 +name: semisynthetic derivative +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:23630 -name: deoxyinosine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:72593 +name: 15-ketoprostaglandin F1alpha +is_a: CHEBI:36066 ! prostaglandins Falpha +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23634 -name: deoxyaldopentose phosphate -is_a: CHEBI:25900 ! aldopentose phosphate +id: CHEBI:72596 +name: papulacandin +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:23007 ! carbohydrate-containing antibiotic +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:38831 ! 2-benzofurans +is_a: CHEBI:72600 ! spiroketal [Term] -id: CHEBI:23636 -name: deoxyribonucleoside -is_a: CHEBI:33838 ! nucleoside +id: CHEBI:72600 +name: spiroketal +is_a: CHEBI:37948 ! oxaspiro compound +is_a: CHEBI:59779 ! cyclic ketal [Term] -id: CHEBI:23639 -name: deoxy sugar -is_a: CHEBI:16646 ! carbohydrate +id: CHEBI:72606 +name: 11-HETE +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:23641 -name: deoxyuridine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:72608 +name: (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:72790 ! hydroxydocosahexaenoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:23643 -name: depsipeptide -is_a: CHEBI:16670 ! peptide +id: CHEBI:72627 +name: 15-HEPE +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:72799 ! HEPE +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:2365 -name: (+)-abscisic acid -is_a: CHEBI:22152 ! 2-cis-abscisic acid -relationship: has_role CHEBI:37848 ! plant hormone -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:72637 +name: (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:72790 ! hydroxydocosahexaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:23652 -name: dextrins -is_a: CHEBI:37163 ! glucan +id: CHEBI:72639 +name: 13-HODE +is_a: CHEBI:36328 ! HODE +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23666 -name: diamine -is_a: CHEBI:88061 ! polyamine +id: CHEBI:72643 +name: 8-HETE +is_a: CHEBI:36275 ! HETE +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:23671 -name: 2,6-diaminopimelate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:72646 +name: (3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol +is_a: CHEBI:140181 ! (3R,4R)-4,2'-dihydroxyisoflavans +is_a: CHEBI:71335 ! 7,2'-dihydroxy-4'-methoxyisoflavanol [Term] -id: CHEBI:23673 -name: 2,6-diaminopimelic acid -is_a: CHEBI:36164 ! amino dicarboxylic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:72647 +name: 14-HDoHE +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:72790 ! hydroxydocosahexaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:23677 -name: diazole -is_a: CHEBI:68452 ! azole +id: CHEBI:72648 +name: 7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:23681 -name: dibenzothiophene -is_a: CHEBI:23684 ! dibenzothiophenes -is_a: CHEBI:36416 ! mancude organic heterotricyclic parent -relationship: has_role CHEBI:50176 ! keratolytic drug +id: CHEBI:72649 +name: cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:23684 -name: dibenzothiophenes -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:72650 +name: cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:23690 -name: dicarboxylic acid amide -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:72651 +name: 9-HODE +is_a: CHEBI:36328 ! HODE +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:23697 -name: dichlorobenzene -is_a: CHEBI:23132 ! chlorobenzenes +id: CHEBI:72653 +name: (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid +is_a: CHEBI:72654 ! epoxydocosapentaenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:23703 -name: dideoxyhexose -is_a: CHEBI:23628 ! deoxyhexose +id: CHEBI:72654 +name: epoxydocosapentaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23738 -name: dihydrophenanthrenediol -is_a: CHEBI:25961 ! phenanthrenes +id: CHEBI:72659 +name: epoxyoctadecenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23743 -name: dihydrofolic acids -is_a: CHEBI:37445 ! folic acids +id: CHEBI:72662 +name: DiHOME +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23763 -name: pyrroline -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:72663 +name: 9,10-DiHOME +is_a: CHEBI:72662 ! DiHOME [Term] -id: CHEBI:23775 -name: dihydroxy-5beta-cholanic acid -is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid -is_a: CHEBI:85184 ! dihydroxycholanic acid +id: CHEBI:72665 +name: 12,13-DiHOME +is_a: CHEBI:72662 ! DiHOME [Term] -id: CHEBI:23778 -name: dihydroxybenzoic acid -is_a: CHEBI:24676 ! hydroxybenzoic acid +id: CHEBI:72670 +name: (2S)-versicolorone(2-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:23793 -name: dihydroxypyridine -is_a: CHEBI:24745 ! hydroxypyridine +id: CHEBI:72671 +name: (2S,3S)-versiconal hemiacetal acetate +is_a: CHEBI:71637 ! versiconal hemiacetal acetate [Term] -id: CHEBI:237958 -name: (\{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate -is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate -is_a: CHEBI:37096 ! adenosine 5'-phosphate -relationship: has_role CHEBI:50733 ! nutraceutical +id: CHEBI:72672 +name: (2S-3S)-versiconal hemiacetal +is_a: CHEBI:71638 ! versiconal hemiacetal [Term] -id: CHEBI:23809 -name: dimethylbenzimidazole -is_a: CHEBI:22715 ! benzimidazoles +id: CHEBI:72673 +name: (3S)-versiconol acetate(1-) +is_a: CHEBI:71636 ! versiconol acetate(1-) [Term] -id: CHEBI:23816 -name: dimethylsilanediol -is_a: CHEBI:26673 ! organosilanediol +id: CHEBI:72674 +name: versicolorin B +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:59770 ! cyclic acetal +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:23824 -name: diol -is_a: CHEBI:26191 ! polyol +id: CHEBI:72676 +name: versicolorin A +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:59770 ! cyclic acetal +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:23825 -name: dibenzodioxine -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:27171 ! organic heterobicyclic compound -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:72677 +name: dihydrosterigmatocystin +is_a: CHEBI:26759 ! sterigmatocystins +is_a: CHEBI:59770 ! cyclic acetal +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50903 ! carcinogenic agent [Term] -id: CHEBI:23843 -name: disaccharide phosphate -is_a: CHEBI:26816 ! carbohydrate phosphate -is_a: CHEBI:63353 ! disaccharide derivative +id: CHEBI:72678 +name: 8-O-methyldihydrosterigmatocystin +is_a: CHEBI:26759 ! sterigmatocystins +is_a: CHEBI:59770 ! cyclic acetal +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23849 -name: diterpenoid -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:72682 +name: 1-lauroyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:23853 -name: dithiol -is_a: CHEBI:29256 ! thiol +id: CHEBI:72683 +name: 1-myristoyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:23872 -name: dodecyl sulfate -is_a: CHEBI:58958 ! organosulfate oxoanion -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:72687 +name: bacilysin +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23875 -name: dolichol phosphate -is_a: CHEBI:16030 ! acyldolichol -is_a: CHEBI:37841 ! isoprenoid phosphate +id: CHEBI:72692 +name: polyunsaturated fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde [Term] -id: CHEBI:23888 -name: drug -is_a: CHEBI:52217 ! pharmaceutical +id: CHEBI:72694 +name: (2R)-dihomocitric acid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:27093 ! tricarboxylic acid [Term] -id: CHEBI:23897 -name: ecdysteroid -is_a: CHEBI:35341 ! steroid -relationship: has_role CHEBI:24621 ! hormone +id: CHEBI:72695 +name: organic molecule +is_a: CHEBI:25367 ! molecule +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:23899 -name: icosanoid -is_a: CHEBI:61697 ! fatty acid derivative +id: CHEBI:72696 +name: cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside) +is_a: CHEBI:35218 ! anthocyanin cation +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23905 -name: monoatomic anion -is_a: CHEBI:22563 ! anion -is_a: CHEBI:24867 ! monoatomic ion +id: CHEBI:72697 +name: (2R)-dihomocitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion [Term] -id: CHEBI:23906 -name: monoatomic cation -is_a: CHEBI:24867 ! monoatomic ion -is_a: CHEBI:36916 ! cation +id: CHEBI:72698 +name: (2R)-trihomocitric acid +is_a: CHEBI:27093 ! tricarboxylic acid [Term] -id: CHEBI:23924 -name: enzyme inhibitor -is_a: CHEBI:35222 ! inhibitor -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:72699 +name: (2R)-trihomocitrate(3-) +is_a: CHEBI:27092 ! tricarboxylic acid trianion [Term] -id: CHEBI:23931 -name: epoxy monocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:32955 ! epoxide +id: CHEBI:72700 +name: 2-oxopimelic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid [Term] -id: CHEBI:23943 -name: ergot alkaloid -is_a: CHEBI:65322 ! hemiterpenoid indole alkaloid +id: CHEBI:72701 +name: 2-oxopimelate(2-) +is_a: CHEBI:36147 ! oxo dicarboxylate [Term] -id: CHEBI:23953 -name: erythromycins -is_a: CHEBI:25105 ! macrolide antibiotic +id: CHEBI:72704 +name: chromenyliums +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35573 ! organic mancude parent [Term] -id: CHEBI:23955 -name: erythronolide -is_a: CHEBI:25106 ! macrolide +id: CHEBI:72705 +name: cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside) +is_a: CHEBI:35218 ! anthocyanin cation relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23965 -name: estradiol -is_a: CHEBI:36834 ! 3-hydroxy steroid -is_a: CHEBI:36838 ! 17-hydroxy steroid -relationship: has_role CHEBI:50114 ! estrogen -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:72707 +name: (2S)-versicolorone +is_a: CHEBI:71653 ! versicolorone tricyclic form [Term] -id: CHEBI:23966 -name: estrane -is_a: CHEBI:35508 ! steroid fundamental parent +id: CHEBI:72714 +name: tetracosahexaenoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23981 -name: ethanolamines -is_a: CHEBI:22478 ! amino alcohol +id: CHEBI:72718 +name: N-dodecanoylsphingosine 1-phosphate +is_a: CHEBI:16197 ! N-acylsphingosine 1-phosphate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:23982 -name: ethanols -is_a: CHEBI:15734 ! primary alcohol +id: CHEBI:72720 +name: flavonoid oligomer +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:38443 ! 1-benzopyran +is_a: CHEBI:72544 ! flavonoids [Term] -id: CHEBI:23990 -name: ethyl ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:72725 +name: 3-amino-3-deoxy-D-glucopyranose +is_a: CHEBI:72728 ! D-kanosamine [Term] -id: CHEBI:24002 -name: ethylene releasers -is_a: CHEBI:26155 ! plant growth regulator +id: CHEBI:72726 +name: hydroxypalmitic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24018 -name: farnesyl phosphate -is_a: CHEBI:16460 ! polyprenol phosphate +id: CHEBI:72728 +name: D-kanosamine +is_a: CHEBI:24271 ! glucosamines [Term] -id: CHEBI:24020 -name: fat-soluble vitamin -is_a: CHEBI:33229 ! vitamin +id: CHEBI:72730 +name: flavanone glycoside +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:28863 ! flavanones [Term] -id: CHEBI:24026 -name: fatty alcohol -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:30879 ! alcohol +id: CHEBI:72732 +name: 3-amino-3-deoxy-D-glucopyranose(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:65296 ! primary ammonium ion [Term] -id: CHEBI:24027 -name: fatty-acyl group -is_a: CHEBI:27207 ! univalent carboacyl group +id: CHEBI:72737 +name: lysophosphatidylcholine 17:0 +is_a: CHEBI:60479 ! lysophosphatidylcholine [Term] -id: CHEBI:24028 -name: iron(3+) chelator -is_a: CHEBI:38157 ! iron chelator +id: CHEBI:72739 +name: hydroxyisoflavanone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38741 ! isoflavanones [Term] -id: CHEBI:24031 -name: ferulic acids -is_a: CHEBI:24688 ! monohydroxycinnamic acid -is_a: CHEBI:33853 ! phenols +id: CHEBI:7274 +name: N-formimidoyl-L-glutamic acid +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:83982 ! L-glutamic acid derivative + +[Term] +id: CHEBI:72740 +name: methoxyisoflavanone is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38741 ! isoflavanones [Term] -id: CHEBI:24040 -name: flavin adenine dinucleotide -is_a: CHEBI:30527 ! flavin -is_a: CHEBI:36981 ! flavin nucleotide -is_a: CHEBI:47885 ! dinucleotide -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:72741 +name: 2-arachidonyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:28936 ! 2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64569 ! lysophosphatidylethanolamine 20:4 +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24041 -name: flavin mononucleotide -is_a: CHEBI:30527 ! flavin -is_a: CHEBI:36981 ! flavin nucleotide -is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:72744 +name: 1-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:24043 -name: flavones -is_a: CHEBI:47916 ! flavonoid +id: CHEBI:72745 +name: (E)-hexadec-2-enoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion [Term] -id: CHEBI:24061 -name: fluorine atom -is_a: CHEBI:24473 ! halogen -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:72748 +name: 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:24062 -name: fluorine molecular entity -is_a: CHEBI:24471 ! halogen molecular entity -relationship: has_part CHEBI:24061 ! fluorine atom +id: CHEBI:72750 +name: neosartoricin +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:46955 ! anthracenes +is_a: CHEBI:47622 ! acetate ester +relationship: has_part CHEBI:26248 ! prenyl group +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:24067 -name: fluoroalkane -is_a: CHEBI:24469 ! haloalkane -is_a: CHEBI:37143 ! organofluorine compound +id: CHEBI:72755 +name: kanamycin C(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:24079 -name: formamides -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:72756 +name: kanamycin X(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:24099 -name: formyltetrahydrofolic acid -is_a: CHEBI:26907 ! tetrahydrofolic acid +id: CHEBI:72757 +name: 2'-oxokanamycin(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:24103 -name: fructosamine -is_a: CHEBI:24586 ! hexosamine +id: CHEBI:72758 +name: sphinga-4E,8E-dienine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:24108 -name: fructosylglycine -is_a: CHEBI:24103 ! fructosamine -is_a: CHEBI:24373 ! glycine derivative -is_a: CHEBI:35258 ! glyco-amino acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:72760 +name: tryprostatin B +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:48337 ! pyrrolopyrazine [Term] -id: CHEBI:24109 -name: fructosyllysine -is_a: CHEBI:24103 ! fructosamine -is_a: CHEBI:35258 ! glyco-amino acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:72761 +name: tryprostatin A +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:48337 ! pyrrolopyrazine +relationship: has_role CHEBI:72771 ! breast cancer resistance protein inhibitor [Term] -id: CHEBI:24127 -name: fungicide -is_a: CHEBI:25944 ! pesticide -is_a: CHEBI:35718 ! antifungal agent +id: CHEBI:72762 +name: 6-hydroxytryprostatin B +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:48337 ! pyrrolopyrazine [Term] -id: CHEBI:24129 -name: furans -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:72763 +name: fumitremorgin C +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38958 ! indole alkaloid +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:72771 ! breast cancer resistance protein inhibitor [Term] -id: CHEBI:24144 -name: galactoglucomannan -is_a: CHEBI:61298 ! D-glucose- and/or D-galactose-substituted mannan +id: CHEBI:72764 +name: 12,13-dihydroxyfumitremorgin C +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38958 ! indole alkaloid [Term] -id: CHEBI:24148 -name: galactonate -is_a: CHEBI:33778 ! galactonates +id: CHEBI:72765 +name: verruculogen +is_a: CHEBI:23824 ! diol +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:51914 ! organic heterohexacyclic compound +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:50268 ! GABA modulator +relationship: has_role CHEBI:50509 ! potassium channel blocker +relationship: has_role CHEBI:76956 ! Aspergillus metabolite +relationship: has_role CHEBI:76964 ! Penicillium metabolite [Term] -id: CHEBI:24149 -name: galactonic acid -is_a: CHEBI:33752 ! hexonic acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:72766 +name: fumitremorgin A +is_a: CHEBI:23824 ! diol +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:51914 ! organic heterohexacyclic compound +relationship: has_role CHEBI:25442 ! mycotoxin [Term] -id: CHEBI:24151 -name: galactooligosaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:72767 +name: demethoxyfumitremorgin C +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:38958 ! indole alkaloid +relationship: has_role CHEBI:25442 ! mycotoxin + +[Term] +id: CHEBI:72768 +name: aryl hydrocarbon receptor agonist +is_a: CHEBI:48705 ! agonist + +[Term] +id: CHEBI:72769 +name: 2'-oxokanamycin +is_a: CHEBI:24951 ! kanamycins + +[Term] +id: CHEBI:72771 +name: breast cancer resistance protein inhibitor +is_a: CHEBI:35222 ! inhibitor +is_a: CHEBI:52206 ! biochemical role [Term] -id: CHEBI:24156 -name: galactosamine -is_a: CHEBI:24586 ! hexosamine +id: CHEBI:72772 +name: beta-leucine +is_a: CHEBI:33706 ! beta-amino acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24158 -name: galactosaminoglycan -is_a: CHEBI:18085 ! glycosaminoglycan +id: CHEBI:72775 +name: methyl benzoate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36054 ! benzoate ester +relationship: has_role CHEBI:24850 ! insect attractant +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24160 -name: galactosaminyl group -is_a: CHEBI:24399 ! glycosaminyl group +id: CHEBI:72776 +name: kunzeaol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:68588 ! germacrane sesquiterpenoid [Term] -id: CHEBI:24163 -name: galactoside -is_a: CHEBI:35313 ! hexoside +id: CHEBI:72777 +name: 7,8-dihydroneopterin 2'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:24174 -name: galacturonan -is_a: CHEBI:18154 ! polysaccharide +id: CHEBI:72778 +name: 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:24175 -name: galacturonate -is_a: CHEBI:33812 ! galacturonates +id: CHEBI:72780 +name: cobalt-precorrin-6B(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:24221 -name: 3,7-dimethylocta-2,6-dien-1-ol -is_a: CHEBI:25409 ! monoterpenoid -is_a: CHEBI:25639 ! octadienol -is_a: CHEBI:26199 ! polyprenol +id: CHEBI:72781 +name: 6-tuliposide A +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:59475 ! 6-O-acyl-D-glucose +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50904 ! allergen [Term] -id: CHEBI:24229 -name: geranylgeraniol -is_a: CHEBI:23849 ! diterpenoid -is_a: CHEBI:26199 ! polyprenol -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:70868 ! antileishmanial agent -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:72782 +name: methyl (indol-3-yl)acetate +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:25248 ! methyl ester +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:24250 -name: gibberellin -is_a: CHEBI:23849 ! diterpenoid -is_a: CHEBI:33575 ! carboxylic acid -relationship: has_role CHEBI:37848 ! plant hormone +id: CHEBI:72783 +name: 12-HHTrE +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24261 -name: glucocorticoid -is_a: CHEBI:36699 ! corticosteroid hormone +id: CHEBI:72784 +name: 7,8-dihydroneopterin 2'-phosphate +is_a: CHEBI:25500 ! neopterins +is_a: CHEBI:36942 ! pterin phosphate +is_a: CHEBI:38797 ! dihydropterin [Term] -id: CHEBI:24265 -name: gluconate -is_a: CHEBI:33804 ! gluconates +id: CHEBI:72787 +name: 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +is_a: CHEBI:48975 ! substituted aniline [Term] -id: CHEBI:24266 -name: gluconic acid -is_a: CHEBI:33752 ! hexonic acid +id: CHEBI:72788 +name: 7,8-dihydromethanopterin(3-) +is_a: CHEBI:38717 ! carboxylic acid trianion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:24268 -name: glucooligosaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:72790 +name: hydroxydocosahexaenoic acid +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24269 -name: glucosamine phosphate -is_a: CHEBI:24584 ! hexosamine phosphate +id: CHEBI:72793 +name: HETrE +is_a: CHEBI:133539 ! hydroxyicosatrienoate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24271 -name: glucosamines -is_a: CHEBI:24586 ! hexosamine +id: CHEBI:72797 +name: kanamycin X +is_a: CHEBI:24951 ! kanamycins [Term] -id: CHEBI:24272 -name: glucosaminyl group -is_a: CHEBI:24399 ! glycosaminyl group +id: CHEBI:72799 +name: HEPE +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24278 -name: glucoside -is_a: CHEBI:35313 ! hexoside +id: CHEBI:72800 +name: sphinga-4E,8E-dienine +is_a: CHEBI:35785 ! sphingoid +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24279 -name: glucosinolate -is_a: CHEBI:24401 ! glycosinolate -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:72801 +name: 5-HEPE +is_a: CHEBI:72799 ! HEPE +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24287 -name: glucosylglycerol -is_a: CHEBI:24406 ! glycosylglycerol -is_a: CHEBI:36307 ! glycosyl alditol +id: CHEBI:72802 +name: 18-HEPE +is_a: CHEBI:72799 ! HEPE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:24297 -name: glucuronate -is_a: CHEBI:33903 ! glucuronates +id: CHEBI:72804 +name: HOTrE +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24298 -name: glucuronic acid -is_a: CHEBI:33886 ! glucuronic acids -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:72805 +name: 2-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64590 ! monoalkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:24302 -name: glucosiduronic acid -is_a: CHEBI:35314 ! glycosiduronic acid -is_a: CHEBI:63436 ! carbohydrate acid derivative +id: CHEBI:72810 +name: 2'-deoxynebularine +is_a: CHEBI:142361 ! purines 2'-deoxy-D-ribonucleoside +is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside [Term] -id: CHEBI:24315 -name: glutamic acid derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:72812 +name: oxooctadecadienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59644 ! oxo fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24317 -name: L-glutamine derivative -is_a: CHEBI:70813 ! glutamine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative -is_a: CHEBI:83982 ! L-glutamic acid derivative +id: CHEBI:72813 +name: exopolysaccharide +is_a: CHEBI:33694 ! biomacromolecule [Term] -id: CHEBI:24318 -name: glutamine family amino acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid +id: CHEBI:72823 +name: glycerophosphoethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:24319 -name: EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor -is_a: CHEBI:76823 ! EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor +id: CHEBI:72824 +name: 1-(Z-alk-1-enyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:18244 ! 1-alkyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:24329 -name: glutarate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:72826 +name: 1-tetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64840 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24337 -name: glutathione derivative -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:72827 +name: 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64840 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24346 -name: phosphoglyceric acid -is_a: CHEBI:22300 ! aldonic acid phosphate +id: CHEBI:72828 +name: 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64840 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24347 -name: glycerates -is_a: CHEBI:33763 ! trionate +id: CHEBI:72829 +name: 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:75195 ! phosphatidylglycerol 32:0(1-) +is_a: CHEBI:75280 ! 1-acyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24353 -name: glycerol ether -is_a: CHEBI:25698 ! ether +id: CHEBI:72830 +name: 2-hexadecanoyl-1-tetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24356 -name: glycerone phosphates -is_a: CHEBI:24358 ! glycerone derivative -is_a: CHEBI:35132 ! ketose phosphate +id: CHEBI:72831 +name: 2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24358 -name: glycerone derivative -is_a: CHEBI:26292 ! propanones -is_a: CHEBI:63407 ! ketotriose derivative +id: CHEBI:72832 +name: 1-[(9Z)-octadec-9-enoyl]-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24360 -name: glycerophosphoglycerols -is_a: CHEBI:37739 ! glycerophospholipid +id: CHEBI:72833 +name: 1-hexadecanoyl-sn--glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64771 ! 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74463 ! lysophosphatidylinositol 16:0(1-) [Term] -id: CHEBI:24372 -name: glycine cholesterol esters -is_a: CHEBI:24373 ! glycine derivative +id: CHEBI:72834 +name: 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64875 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:75194 ! phosphatidylinositol 36:4(1-) +is_a: CHEBI:75243 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) [Term] -id: CHEBI:24373 -name: glycine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:72835 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64875 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74231 ! phosphatidylinositol 32:0(1-) [Term] -id: CHEBI:24384 -name: glycogens -is_a: CHEBI:37163 ! glucan +id: CHEBI:72836 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64875 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74232 ! phosphatidylinositol 34:0(1-) [Term] -id: CHEBI:24385 -name: glycoglycerolipid -is_a: CHEBI:33563 ! glycolipid +id: CHEBI:72837 +name: 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64875 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74237 ! phosphatidylinositol 34:1(1-) +is_a: CHEBI:75116 ! 1-acyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) [Term] -id: CHEBI:24396 -name: glycopeptide -is_a: CHEBI:16670 ! peptide -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:72838 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64875 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74238 ! phosphatidylinositol 34:2(1-) [Term] -id: CHEBI:24397 -name: glycophospholipid -is_a: CHEBI:16247 ! phospholipid -is_a: CHEBI:33563 ! glycolipid +id: CHEBI:72839 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24399 -name: glycosaminyl group -is_a: CHEBI:24403 ! glycosyl group +id: CHEBI:72840 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24400 -name: glycoside -is_a: CHEBI:63161 ! glycosyl compound +id: CHEBI:72841 +name: 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:24401 -name: glycosinolate -is_a: CHEBI:33482 ! sulfur oxoanion +id: CHEBI:72845 +name: 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:75199 ! phosphatidylglycerol 36:1(1-) [Term] -id: CHEBI:24402 -name: glycosphingolipid -is_a: CHEBI:26739 ! sphingolipid -is_a: CHEBI:33563 ! glycolipid +id: CHEBI:7285 +name: N-(D-glucopyranosyl)nicotinic acid +is_a: CHEBI:25533 ! N-glycosylnicotinate [Term] -id: CHEBI:24403 -name: glycosyl group -is_a: CHEBI:33247 ! organic group +id: CHEBI:72850 +name: icosadienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite [Term] -id: CHEBI:24405 -name: glycosylglucose -is_a: CHEBI:36233 ! disaccharide +id: CHEBI:72852 +name: EpETE +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24406 -name: glycosylglycerol -is_a: CHEBI:36307 ! glycosyl alditol +id: CHEBI:72853 +name: 17(18)-EpETE +is_a: CHEBI:72852 ! EpETE +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24407 -name: glycosyl glycoside -is_a: CHEBI:36233 ! disaccharide +id: CHEBI:72854 +name: EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor +is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor [Term] -id: CHEBI:24409 -name: glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24410 ! glycosylphosphatidylinositol +id: CHEBI:72855 +name: (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid +is_a: CHEBI:72654 ! epoxydocosapentaenoic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24410 -name: glycosylphosphatidylinositol -is_a: CHEBI:24385 ! glycoglycerolipid -is_a: CHEBI:24397 ! glycophospholipid -is_a: CHEBI:28874 ! phosphatidylinositol +id: CHEBI:72857 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64861 ! 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:24431 -name: chemical entity +id: CHEBI:72858 +name: 1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64863 ! 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:24432 -name: biological role -is_a: CHEBI:50906 ! role +id: CHEBI:72859 +name: 1,2-dihexadecanoyl-sn-glycerol-3-phosphate(2-) +is_a: CHEBI:64862 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:24433 -name: group -is_a: CHEBI:24431 ! chemical entity -relationship: has_part CHEBI:33250 ! atom +id: CHEBI:72860 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:24436 -name: guanidines -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:72864 +name: 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:24455 -name: guanosine phosphate -is_a: CHEBI:24458 ! guanosines -is_a: CHEBI:25608 ! nucleoside phosphate -is_a: CHEBI:61295 ! guanyl ribonucleotide +id: CHEBI:72865 +name: (5Z,8Z,11Z)-icosatrienoic acid +is_a: CHEBI:36036 ! icosatrienoic acid [Term] -id: CHEBI:24458 -name: guanosines -is_a: CHEBI:26399 ! purine ribonucleoside +id: CHEBI:72868 +name: dihydroxyicosatetraenoic acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid [Term] -id: CHEBI:24469 -name: haloalkane -is_a: CHEBI:36684 ! organohalogen compound +id: CHEBI:72892 +name: cardiolipin 70:6(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:24470 -name: haloamino acid -is_a: CHEBI:83820 ! non-proteinogenic amino acid +id: CHEBI:72896 +name: cardiolipin 72:4(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:24471 -name: halogen molecular entity -is_a: CHEBI:33675 ! p-block molecular entity -relationship: has_part CHEBI:24473 ! halogen +id: CHEBI:72899 +name: cardiolipin 72:7(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:24472 -name: halohydrocarbon -is_a: CHEBI:36684 ! organohalogen compound +id: CHEBI:72900 +name: cardiolipin 72:8(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:24473 -name: halogen -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33560 ! p-block element atom +id: CHEBI:72944 +name: 3''-deamino-3''-hydroxykanamycin B(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:24479 -name: heme a -is_a: CHEBI:30413 ! heme -is_a: CHEBI:36178 ! cytoporphyrins -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:72945 +name: 3''-deamino-3''-hydroxykanamycin C(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:2448 -name: actinorhodin -is_a: CHEBI:25830 ! p-quinones -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:35692 ! dicarboxylic acid -is_a: CHEBI:36820 ! ring assembly -is_a: CHEBI:48129 ! benzoisochromanequinone -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:72946 +name: 3''-deamino-3''-hydroxykanamycin X(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:24480 -name: heme o -is_a: CHEBI:30413 ! heme -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:72947 +name: kanamycin D(3+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:24499 -name: heparan sulfate proteoglycan -is_a: CHEBI:37396 ! proteoglycan -is_a: CHEBI:37944 ! polysaccharide sulfate +id: CHEBI:72948 +name: deoxybrevianamide E +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:46761 ! dipeptide +is_a: CHEBI:48337 ! pyrrolopyrazine [Term] -id: CHEBI:24500 -name: heparan -is_a: CHEBI:18085 ! glycosaminoglycan +id: CHEBI:72949 +name: chanoclavine-I(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:24505 -name: heparins -is_a: CHEBI:35722 ! sulfated glycosaminoglycan -is_a: CHEBI:37395 ! mucopolysaccharide +id: CHEBI:72950 +name: (7,8-dihydropterin-6-yl)methyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:24527 -name: herbicide -is_a: CHEBI:25944 ! pesticide +id: CHEBI:72951 +name: N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:24531 -name: heterocyclic antibiotic -is_a: CHEBI:24532 ! organic heterocyclic compound -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:72952 +name: 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64845 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:24532 -name: organic heterocyclic compound -is_a: CHEBI:33285 ! heteroorganic entity -is_a: CHEBI:33832 ! organic cyclic compound -is_a: CHEBI:5686 ! heterocyclic compound +id: CHEBI:72956 +name: N-dodecanoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine [Term] -id: CHEBI:24533 -name: heterodetic cyclic peptide -is_a: CHEBI:23449 ! cyclic peptide +id: CHEBI:72957 +name: N-tetradecanoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine [Term] -id: CHEBI:24536 -name: hexachlorocyclohexane -is_a: CHEBI:39154 ! chlorocyclohexane +id: CHEBI:72959 +name: N-hexadecanoylsphingosine +is_a: CHEBI:137569 ! Cer(d34:1) +is_a: CHEBI:52639 ! N-acylsphingosine +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:24548 -name: hexadecenoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:25413 ! monounsaturated fatty acid -is_a: CHEBI:53339 ! olefinic fatty acid -is_a: CHEBI:59202 ! straight-chain fatty acid +id: CHEBI:72960 +name: N-dodecanoylsphingosine 1-phosphate(2-) +is_a: CHEBI:57674 ! N-acylsphingosine 1-phosphate(2-) [Term] -id: CHEBI:24576 -name: hexaric acid anion -is_a: CHEBI:22289 ! aldaric acid anion +id: CHEBI:72961 +name: N-octadecanoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24577 -name: hexaric acid -is_a: CHEBI:22290 ! aldaric acid +id: CHEBI:72962 +name: N-icosanoylsphingosine +is_a: CHEBI:137570 ! Cer(d38:1) +is_a: CHEBI:52639 ! N-acylsphingosine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24580 -name: hexenoic acid -is_a: CHEBI:25413 ! monounsaturated fatty acid -is_a: CHEBI:59554 ! medium-chain fatty acid +id: CHEBI:72963 +name: N-hexadecanoylsphingosine 1-phosphate(2-) +is_a: CHEBI:57674 ! N-acylsphingosine 1-phosphate(2-) [Term] -id: CHEBI:24583 -name: hexitol -is_a: CHEBI:17522 ! alditol +id: CHEBI:72965 +name: N-tetracosanoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine +is_a: CHEBI:85777 ! Cer(d42:1) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24584 -name: hexosamine phosphate -is_a: CHEBI:22529 ! amino sugar phosphate +id: CHEBI:72990 +name: 3''-deamino-3''-hydroxykanamycin B +is_a: CHEBI:24951 ! kanamycins [Term] -id: CHEBI:24586 -name: hexosamine -is_a: CHEBI:60926 ! amino monosaccharide +id: CHEBI:72991 +name: dihydrourocanate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:24591 -name: hexuronate -is_a: CHEBI:33549 ! uronate +id: CHEBI:72992 +name: 3''-deamino-3''-hydroxykanamycin X +is_a: CHEBI:24951 ! kanamycins [Term] -id: CHEBI:24592 -name: hexuronic acid -is_a: CHEBI:27252 ! uronic acid +id: CHEBI:72998 +name: 1-hexadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64563 ! lysophosphatidylcholine 16:0 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24599 -name: histidine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:72999 +name: 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66850 ! phosphatidylcholine 32:0 +is_a: CHEBI:75279 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:35195 ! surfactant +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24610 -name: homocysteines -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:73000 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66855 ! phosphatidylcholine 34:0 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24613 -name: homodetic cyclic peptide -is_a: CHEBI:23449 ! cyclic peptide +id: CHEBI:73001 +name: 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:58293 ! 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine +is_a: CHEBI:64517 ! phosphatidylcholine 34:1 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24619 -name: homoserine derivative -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:73002 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:60000 ! 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine +is_a: CHEBI:64516 ! phosphatidylcholine 34:2 [Term] -id: CHEBI:24621 -name: hormone -is_a: CHEBI:33280 ! molecular messenger -is_a: CHEBI:48705 ! agonist +id: CHEBI:73003 +name: 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64520 ! phosphatidylcholine 36:4 +is_a: CHEBI:75063 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24628 -name: imidazolidine-2,4-dione -is_a: CHEBI:55370 ! imidazolidinone +id: CHEBI:73004 +name: 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64381 ! 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72384 ! lysophosphatidylethanolamine zwitterion 16:0 [Term] -id: CHEBI:24632 -name: hydrocarbon -is_a: CHEBI:33245 ! organic fundamental parent +id: CHEBI:73005 +name: 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71711 ! phosphatidylethanolamine 32:0 [Term] -id: CHEBI:24636 -name: proton -is_a: CHEBI:15378 ! hydron -is_a: CHEBI:33253 ! nucleon +id: CHEBI:73006 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71718 ! phosphatidylethanolamine 34:0 zwitterion [Term] -id: CHEBI:246422 -name: dUMP(2-) -is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:73007 +name: 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71720 ! phosphatidylethanolamine 34:1 [Term] -id: CHEBI:24644 -name: HPETE -is_a: CHEBI:23899 ! icosanoid -is_a: CHEBI:61051 ! lipid hydroperoxide -is_a: CHEBI:64009 ! hydroperoxy fatty acid +id: CHEBI:73008 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71721 ! phosphatidylethanolamine 34:2 zwitterion [Term] -id: CHEBI:24646 -name: hydroquinones -is_a: CHEBI:33570 ! benzenediols +id: CHEBI:73009 +name: 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71730 ! phosphatidylethanolamine 36:4 zwitterion [Term] -id: CHEBI:24648 -name: hydroxamic acid anion -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:35406 ! oxoanion +id: CHEBI:73011 +name: germacranolide +is_a: CHEBI:37667 ! sesquiterpene lactone [Term] -id: CHEBI:24650 -name: hydroxamic acid -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:73017 +name: O-isobutyrylcarnitine +is_a: CHEBI:86490 ! C4-acylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24651 -name: hydroxides -is_a: CHEBI:25806 ! oxygen molecular entity -is_a: CHEBI:33608 ! hydrogen molecular entity -is_a: CHEBI:37577 ! heteroatomic molecular entity -relationship: has_part CHEBI:43176 ! hydroxy group +id: CHEBI:73024 +name: O-acetylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24654 -name: hydroxy fatty acid -is_a: CHEBI:35366 ! fatty acid -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +id: CHEBI:73025 +name: O-isovalerylcarnitine +is_a: CHEBI:86492 ! C5-acylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24661 -name: hydroxy-L-lysine -is_a: CHEBI:24662 ! hydroxy-amino acid -is_a: CHEBI:25095 ! L-lysine derivative +id: CHEBI:73026 +name: 2-methylbutyrylcarnitine +is_a: CHEBI:86492 ! C5-acylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24662 -name: hydroxy-amino acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:73029 +name: maackiain +is_a: CHEBI:26377 ! pterocarpans +is_a: CHEBI:33853 ! phenols [Term] -id: CHEBI:24663 -name: hydroxy-5beta-cholanic acid -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:36248 ! 5beta-cholanic acids +id: CHEBI:73030 +name: (+)-maackiain +is_a: CHEBI:73029 ! maackiain [Term] -id: CHEBI:24669 -name: hydroxy carboxylic acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:73036 +name: 4-hydroxy-2-oxoheptanedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:24675 -name: hydroxybenzoate -is_a: CHEBI:22718 ! benzoates -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:73039 +name: O-octanoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +is_a: CHEBI:87657 ! octanoate ester +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24676 -name: hydroxybenzoic acid -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:33853 ! phenols +id: CHEBI:73054 +name: O-dodecanoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +is_a: CHEBI:87659 ! dodecanoate ester +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24678 -name: hydroxybenzoyl-CoA -is_a: CHEBI:22736 ! benzoyl-CoAs -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:62618 ! hydroxyacyl-CoA +id: CHEBI:73061 +name: O-tetradecanoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24679 -name: hydroxybenzyl alcohol -is_a: CHEBI:22743 ! benzyl alcohols -is_a: CHEBI:33853 ! phenols +id: CHEBI:73067 +name: O-palmitoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:2468 -name: secondary alpha-hydroxy ketone -is_a: CHEBI:139588 ! alpha-hydroxy ketone -is_a: CHEBI:35681 ! secondary alcohol +id: CHEBI:73078 +name: 3''-deamino-3''-hydroxykanamycin C +is_a: CHEBI:24951 ! kanamycins [Term] -id: CHEBI:24684 -name: hydroxybutyric acid -is_a: CHEBI:24654 ! hydroxy fatty acid +id: CHEBI:73079 +name: kanamycin D +is_a: CHEBI:24951 ! kanamycins [Term] -id: CHEBI:24688 -name: monohydroxycinnamic acid -is_a: CHEBI:24689 ! hydroxycinnamic acid +id: CHEBI:73080 +name: hemiaminal +is_a: CHEBI:36963 ! organooxygen compound +is_a: CHEBI:50047 ! organic amino compound [Term] -id: CHEBI:24689 -name: hydroxycinnamic acid -is_a: CHEBI:23252 ! cinnamic acids +id: CHEBI:73081 +name: O-(15-carboxypentadecanoyl)carnitine +is_a: CHEBI:17387 ! O-acylcarnitine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:24698 -name: hydroxyflavone -is_a: CHEBI:24043 ! flavones -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:73083 +name: (7,8-dihydropterin-6-yl)methyl diphosphate +is_a: CHEBI:30436 ! tetrahydropterin +is_a: CHEBI:36942 ! pterin phosphate +relationship: has_part CHEBI:68836 ! diphosphate group [Term] -id: CHEBI:24709 -name: hydroxylamines -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:73084 +name: N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:30436 ! tetrahydropterin +is_a: CHEBI:35159 ! ribose monophosphate [Term] -id: CHEBI:24712 -name: hydroxymethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:73087 +name: dihydrourocanic acid +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:25384 ! monocarboxylic acid [Term] -id: CHEBI:24730 -name: hydroxynitrile -is_a: CHEBI:18379 ! nitrile +id: CHEBI:73089 +name: 4-hydroxy-2-oxoheptanedioic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid [Term] -id: CHEBI:24734 -name: hydroxyphenylalanine -is_a: CHEBI:24662 ! hydroxy-amino acid -is_a: CHEBI:25985 ! phenylalanine derivative +id: CHEBI:73091 +name: 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64845 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:24745 -name: hydroxypyridine -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:74818 ! heteroaryl hydroxy compound +id: CHEBI:73092 +name: 1-tetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64845 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:24751 -name: hydroxytoluene -is_a: CHEBI:27024 ! toluenes -is_a: CHEBI:33853 ! phenols +id: CHEBI:73110 +name: ganglioside GM1(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion +is_a: CHEBI:88056 ! ganglioside GM1/1b(1-) [Term] -id: CHEBI:24757 -name: hypochlorous acid -is_a: CHEBI:26523 ! reactive oxygen species -is_a: CHEBI:33426 ! chlorine oxoacid -relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor -relationship: has_role CHEBI:76797 ! EC 2.5.1.18 (glutathione transferase) inhibitor -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:73117 +name: 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24780 -name: imidazoles -is_a: CHEBI:23677 ! diazole +id: CHEBI:73121 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24782 -name: imide -is_a: CHEBI:33257 ! secondary amide +id: CHEBI:73124 +name: 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24796 -name: indolylmethylglucosinolate -is_a: CHEBI:24279 ! glucosinolate +id: CHEBI:73125 +name: 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-) +is_a: CHEBI:138139 ! 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:24797 -name: indole phytoalexin -is_a: CHEBI:24828 ! indoles -relationship: has_role CHEBI:26115 ! phytoalexin +id: CHEBI:73126 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:24803 -name: indole-3-acetic acids -is_a: CHEBI:24810 ! indol-3-yl carboxylic acid +id: CHEBI:73127 +name: 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24810 -name: indol-3-yl carboxylic acid -is_a: CHEBI:46867 ! indolyl carboxylic acid +id: CHEBI:73131 +name: 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate +is_a: CHEBI:37739 ! glycerophospholipid [Term] -id: CHEBI:24814 -name: indole-3-methanol -is_a: CHEBI:38467 ! indolyl alcohol -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:73134 +name: 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:29017 ! 1-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:90452 ! lysophosphatidylethanolamine 16:0 +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24821 -name: indolyl carbohydrate -is_a: CHEBI:24828 ! indoles -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:73136 +name: EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] -id: CHEBI:24828 -name: indoles -is_a: CHEBI:22728 ! benzopyrrole +id: CHEBI:73142 +name: (S)-4-hydroxy-2-oxohexanoate +is_a: CHEBI:53800 ! 4-hydroxy-2-oxohexanoate [Term] -id: CHEBI:24829 -name: indolones -is_a: CHEBI:24828 ! indoles +id: CHEBI:73143 +name: (S)-4-hydroxy-2-oxopentanoate +is_a: CHEBI:58222 ! 4-hydroxy-2-oxopentanoate [Term] -id: CHEBI:24833 -name: oxoacid -is_a: CHEBI:24651 ! hydroxides -relationship: has_role CHEBI:39141 ! Bronsted acid +id: CHEBI:73145 +name: N-hexadecanoylsphingosine 1-phosphate +is_a: CHEBI:16197 ! N-acylsphingosine 1-phosphate [Term] -id: CHEBI:24834 -name: inorganic anion -is_a: CHEBI:22563 ! anion -is_a: CHEBI:36914 ! inorganic ion +id: CHEBI:73148 +name: (S)-4-hydroxy-2-oxopentanoic acid +is_a: CHEBI:17655 ! 4-hydroxy-2-oxopentanoic acid [Term] -id: CHEBI:24835 -name: inorganic molecular entity -is_a: CHEBI:23367 ! molecular entity +id: CHEBI:73151 +name: (S)-4-hydroxy-2-oxohexanoic acid +is_a: CHEBI:27530 ! 4-hydroxy-2-oxohexanoic acid [Term] -id: CHEBI:24836 -name: inorganic oxide -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:25741 ! oxide +id: CHEBI:73152 +name: 2,6-dimethyldeca-2,4,6,8-tetraenedial +is_a: CHEBI:38124 ! dialdehyde +is_a: CHEBI:51688 ! enal +is_a: CHEBI:53183 ! apo carotenoid [Term] -id: CHEBI:24837 -name: inorganic peroxide -is_a: CHEBI:24836 ! inorganic oxide -is_a: CHEBI:25940 ! peroxides +id: CHEBI:73155 +name: trienoic fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid [Term] -id: CHEBI:24838 -name: inorganic phosphate -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:26020 ! phosphate +id: CHEBI:73180 +name: beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranose +is_a: CHEBI:36233 ! disaccharide [Term] -id: CHEBI:24839 -name: inorganic salt -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:24866 ! salt +id: CHEBI:73181 +name: EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors +is_a: CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor [Term] -id: CHEBI:24843 -name: inosine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:73182 +name: plant activator +is_a: CHEBI:33286 ! agrochemical [Term] -id: CHEBI:24844 -name: inosines -is_a: CHEBI:26399 ! purine ribonucleoside +id: CHEBI:73183 +name: 1-(5-phospho-beta-D-ribosyl)-ATP(6-) +is_a: CHEBI:58424 ! 1-(5-phospho-D-ribosyl)-ATP(6-) [Term] -id: CHEBI:24846 -name: inositol phosphate -is_a: CHEBI:23450 ! cyclitol phosphate +id: CHEBI:73184 +name: 2-amino-4-hydroxypteridine +is_a: CHEBI:26374 ! pterin [Term] -id: CHEBI:24848 -name: inositol -is_a: CHEBI:23451 ! cyclitol -is_a: CHEBI:37206 ! hexol +id: CHEBI:73186 +name: 2,4-dihydroxypteridine +is_a: CHEBI:23792 ! dihydroxypteridine [Term] -id: CHEBI:24852 -name: insecticide -is_a: CHEBI:25944 ! pesticide +id: CHEBI:73191 +name: abscisic acid receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:24853 -name: intercalator -is_a: CHEBI:25435 ! mutagen +id: CHEBI:73194 +name: 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucosiduronate +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:24859 -name: iodine atom -is_a: CHEBI:24473 ! halogen -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:732 +name: 5beta-dihydrocortisol +is_a: CHEBI:138141 ! 17alpha-hydroxy-C21-steroid +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:46640 ! diketone [Term] -id: CHEBI:24860 -name: iodine molecular entity -is_a: CHEBI:24471 ! halogen molecular entity -relationship: has_part CHEBI:24859 ! iodine atom +id: CHEBI:73200 +name: 1-(5-phospho-beta-D-ribosyl)-ATP +is_a: CHEBI:18263 ! 1-(5-phospho-D-ribosyl)-ATP [Term] -id: CHEBI:24862 -name: iodoamino acid -is_a: CHEBI:24470 ! haloamino acid -is_a: CHEBI:37142 ! organoiodine compound +id: CHEBI:73201 +name: 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside +is_a: CHEBI:26763 ! steroid glucosiduronic acid [Term] -id: CHEBI:24863 -name: iodophenol -is_a: CHEBI:37142 ! organoiodine compound -is_a: CHEBI:38856 ! halophenol +id: CHEBI:73202 +name: ceramide phosphoethanolamine zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:24864 -name: iodothyronine -is_a: CHEBI:24862 ! iodoamino acid -is_a: CHEBI:33853 ! phenols +id: CHEBI:73203 +name: N-acylsphingosine 1-phosphoethanolamine zwitterion +is_a: CHEBI:73202 ! ceramide phosphoethanolamine zwitterion [Term] -id: CHEBI:24866 -name: salt -is_a: CHEBI:37577 ! heteroatomic molecular entity -relationship: has_part CHEBI:22563 ! anion -relationship: has_part CHEBI:36916 ! cation +id: CHEBI:73204 +name: ceramide phosphoethanolamine +is_a: CHEBI:35786 ! phosphosphingolipid +is_a: CHEBI:36711 ! phosphoethanolamine [Term] -id: CHEBI:24867 -name: monoatomic ion -is_a: CHEBI:24870 ! ion -is_a: CHEBI:33238 ! monoatomic entity +id: CHEBI:73205 +name: 1,2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24868 -name: organic salt -is_a: CHEBI:24866 ! salt +id: CHEBI:73206 +name: 1-[(9Z)-octadec-9-enoyl]-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:24869 -name: ionophore -is_a: CHEBI:38632 ! membrane transport modulator +id: CHEBI:73207 +name: 2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:24870 -name: ion -is_a: CHEBI:23367 ! molecular entity +id: CHEBI:73208 +name: 2-hexadecanoyl-1-tetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:24873 -name: iron molecular entity -is_a: CHEBI:33744 ! iron group molecular entity -relationship: has_part CHEBI:18248 ! iron atom +id: CHEBI:73209 +name: 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:64890 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:90430 ! phosphatidylinositol(16:0/20:4) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24874 -name: iron ionophore -is_a: CHEBI:24869 ! ionophore +id: CHEBI:73212 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:136493 ! phosphatidylinositol (16:0/18:2) +is_a: CHEBI:64890 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol [Term] -id: CHEBI:24875 -name: iron cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:82663 ! elemental iron +id: CHEBI:73215 +name: 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:64890 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol [Term] -id: CHEBI:24897 -name: isoindoles -is_a: CHEBI:22728 ! benzopyrrole +id: CHEBI:73216 +name: EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor +is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] -id: CHEBI:24898 -name: isoleucine -is_a: CHEBI:38264 ! 2-amino-3-methylpentanoic acid -relationship: has_part CHEBI:45557 ! sec-butyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:73218 +name: 1-hexadecanoyl-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:64930 ! 1-acyl-sn-glycero-3-phospho-1D-myo-inositol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:24913 -name: isoprenoid -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:73223 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:64890 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol [Term] -id: CHEBI:24921 -name: isoquinoline alkaloid -is_a: CHEBI:22315 ! alkaloid +id: CHEBI:73229 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:64890 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol [Term] -id: CHEBI:24922 -name: isoquinolines -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:73234 +name: 1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24923 -name: isoquinolinol -is_a: CHEBI:24922 ! isoquinolines +id: CHEBI:73238 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:24928 -name: isothiocyanic acid -is_a: CHEBI:33405 ! hydracid -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:73240 +name: NF-kappaB inhibitor +is_a: CHEBI:35222 ! inhibitor [Term] -id: CHEBI:24937 -name: jasmonates -is_a: CHEBI:37848 ! plant hormone +id: CHEBI:73241 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:24943 -name: juvenile hormone -is_a: CHEBI:36757 ! farnesane sesquiterpenoid -relationship: has_role CHEBI:24621 ! hormone -relationship: has_role CHEBI:75767 ! animal metabolite +id: CHEBI:73242 +name: 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:24951 -name: kanamycins -is_a: CHEBI:22479 ! amino cyclitol glycoside -is_a: CHEBI:22507 ! aminoglycoside antibiotic +id: CHEBI:73244 +name: methyl anthranilate +is_a: CHEBI:36054 ! benzoate ester +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35617 ! flavouring agent [Term] -id: CHEBI:24957 -name: keto-disaccharide -is_a: CHEBI:36233 ! disaccharide +id: CHEBI:73245 +name: cucurbitane +is_a: CHEBI:35191 ! triterpene [Term] -id: CHEBI:24960 -name: ketoaldehyde -is_a: CHEBI:17087 ! ketone -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:73246 +name: 1,2-dihexadecanoyl-sn-glycerol-3-phosphate +is_a: CHEBI:64869 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:24961 -name: ketoaldonate -is_a: CHEBI:33721 ! carbohydrate acid anion +id: CHEBI:73250 +name: gibberellin A1 methyl ester +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:73268 ! gibberellin ester [Term] -id: CHEBI:24963 -name: ketoaldonic acid -is_a: CHEBI:33720 ! carbohydrate acid -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:73251 +name: gibberellin A4(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion [Term] -id: CHEBI:24966 -name: keto-D-gluconate -is_a: CHEBI:60978 ! ketogluconate +id: CHEBI:73252 +name: gibberellin A4 methyl ester +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:73268 ! gibberellin ester [Term] -id: CHEBI:24967 -name: ketogluconic acid -is_a: CHEBI:24266 ! gluconic acid +id: CHEBI:73253 +name: gibberellin A3 methyl ester +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:73268 ! gibberellin ester [Term] -id: CHEBI:24970 -name: ketohexose bisphosphate -is_a: CHEBI:24972 ! ketohexose phosphate +id: CHEBI:73254 +name: 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:64864 ! 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:24971 -name: ketohexose monophosphate -is_a: CHEBI:24972 ! ketohexose phosphate +id: CHEBI:73255 +name: gibberellin A9(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion [Term] -id: CHEBI:24972 -name: ketohexose phosphate -is_a: CHEBI:35132 ! ketose phosphate -is_a: CHEBI:47878 ! hexose phosphate +id: CHEBI:73256 +name: gibberellin A9 methyl ester +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:73268 ! gibberellin ester [Term] -id: CHEBI:24973 -name: ketohexose -is_a: CHEBI:18133 ! hexose -is_a: CHEBI:24978 ! ketose +id: CHEBI:73257 +name: gibberellin A20 methyl ester +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:73268 ! gibberellin ester [Term] -id: CHEBI:24976 -name: ketopentose phosphate -is_a: CHEBI:35132 ! ketose phosphate -is_a: CHEBI:84055 ! pentose phosphate +id: CHEBI:73258 +name: gibberellin A34(1-) +is_a: CHEBI:59139 ! gibberellin carboxylic acid anion [Term] -id: CHEBI:24977 -name: ketopentose -is_a: CHEBI:24978 ! ketose -is_a: CHEBI:25901 ! pentose +id: CHEBI:73259 +name: 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:24978 -name: ketose -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:73260 +name: gibberellin A34 methyl ester +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:73268 ! gibberellin ester [Term] -id: CHEBI:24982 -name: ketotriose -is_a: CHEBI:24978 ! ketose -is_a: CHEBI:27137 ! triose +id: CHEBI:73262 +name: 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:24995 -name: lactam -is_a: CHEBI:23443 ! cyclic amide -is_a: CHEBI:37622 ! carboxamide -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:73263 +name: cyclooxygenase 3 inhibitor +is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor [Term] -id: CHEBI:24996 -name: lactate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:73264 +name: 1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:64873 ! 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:25000 -name: lactone -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:35701 ! ester -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:73265 +name: archaeosine residue +is_a: CHEBI:50320 ! nucleoside residue [Term] -id: CHEBI:25016 -name: lead atom -is_a: CHEBI:33306 ! carbon group element atom -is_a: CHEBI:33521 ! metal atom +id: CHEBI:73267 +name: oxidative phosphorylation inhibitor +is_a: CHEBI:35222 ! inhibitor [Term] -id: CHEBI:25017 -name: leucine -is_a: CHEBI:22918 ! branched-chain amino acid -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:30356 ! isobutyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:73268 +name: gibberellin ester +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:33308 ! carboxylic ester [Term] -id: CHEBI:25029 -name: leukotriene -is_a: CHEBI:23899 ! icosanoid +id: CHEBI:73271 +name: archaeosine +is_a: CHEBI:50660 ! 7-deazaguanine ribonucleoside [Term] -id: CHEBI:25036 -name: lignan -is_a: CHEBI:26004 ! phenylpropanoid +id: CHEBI:73281 +name: (2S)-versicolorone(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:2504 -name: aflatoxin B1 -is_a: CHEBI:22271 ! aflatoxin -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:76224 ! aromatic ketone -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:73296 +name: cholecystokinin antagonist +is_a: CHEBI:49020 ! hormone antagonist [Term] -id: CHEBI:25046 -name: linear tetrapyrrole -is_a: CHEBI:26932 ! tetrapyrrole +id: CHEBI:73299 +name: cobalt(II)-factor III(8-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:25048 -name: linolenic acid -is_a: CHEBI:25633 ! octadecatrienoic acid -is_a: CHEBI:59202 ! straight-chain fatty acid -is_a: CHEBI:59549 ! essential fatty acid -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:73301 +name: tirucallane +is_a: CHEBI:35191 ! triterpene [Term] -id: CHEBI:25051 -name: lipid As -is_a: CHEBI:24397 ! glycophospholipid -is_a: CHEBI:35371 ! lipooligosaccharide +id: CHEBI:73309 +name: aromatic 2-oxo monocarboxylic acid anion +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:25094 -name: lysine -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:35987 ! diamino acid -relationship: has_part CHEBI:50339 ! 4-aminobutyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:73311 +name: adenosine receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:25095 -name: L-lysine derivative -is_a: CHEBI:53079 ! lysine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:73315 +name: 1-alkylglycerone 3-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:25097 -name: lyxose -is_a: CHEBI:33916 ! aldopentose +id: CHEBI:73316 +name: 2'-deoxyribonucleoside 5'-diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25105 -name: macrolide antibiotic -is_a: CHEBI:25106 ! macrolide -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:73320 +name: 1-(alk-1-enyl)-2-acyl-sn-glycerol +is_a: CHEBI:52595 ! 1-alkyl-2-acyl-sn-glycerol +is_a: CHEBI:77999 ! 1(3)-O-(alk-1-enyl)-2-acylglycerol [Term] -id: CHEBI:25106 -name: macrolide -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:63944 ! macrocyclic lactone +id: CHEBI:73322 +name: 1-(alk-1-enyl)-sn-glycerol +is_a: CHEBI:52569 ! 1-(alk-1-enyl)glycerol [Term] -id: CHEBI:25107 -name: magnesium atom -is_a: CHEBI:22313 ! alkaline earth metal atom -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:73325 +name: 1-(alk-1-enyl)-sn-glycero-3-phosphate(2-) +is_a: CHEBI:77609 ! monoalk-1-enyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:25108 -name: magnesium molecular entity -is_a: CHEBI:33299 ! alkaline earth molecular entity -relationship: has_part CHEBI:25107 ! magnesium atom +id: CHEBI:73327 +name: 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:73332 ! 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:25111 -name: magnesium porphyrin -is_a: CHEBI:25216 ! metalloporphyrin -is_a: CHEBI:38251 ! magnesium tetrapyrrole +id: CHEBI:73332 +name: 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:77575 ! alkyl,acyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:78182 ! 1-alkyl-2-acyl-glycero-3-phosphate(2-) [Term] -id: CHEBI:25115 -name: malate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:73333 +name: scabicide +is_a: CHEBI:22153 ! acaricide [Term] -id: CHEBI:25136 -name: malonyl-CoAs -is_a: CHEBI:17984 ! acyl-CoA +id: CHEBI:73335 +name: ultraviolet filter +is_a: CHEBI:52215 ! photochemical role [Term] -id: CHEBI:25140 -name: maltodextrin -is_a: CHEBI:23652 ! dextrins +id: CHEBI:73336 +name: vulnerary +is_a: CHEBI:23888 ! drug [Term] -id: CHEBI:25147 -name: mandelate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:73343 +name: trans-anol +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:33853 ! phenols [Term] -id: CHEBI:25150 -name: prunasin -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:23436 ! cyanogenic glycoside -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:73346 +name: trans-coumaryl acetate +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47622 ! acetate ester [Term] -id: CHEBI:25154 -name: manganese molecular entity -is_a: CHEBI:33743 ! manganese group molecular entity -relationship: has_part CHEBI:18291 ! manganese atom +id: CHEBI:73359 +name: alpha-CH2-containing aldehyde +is_a: CHEBI:17478 ! aldehyde [Term] -id: CHEBI:25155 -name: manganese cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:35115 ! elemental manganese +id: CHEBI:73360 +name: EC 3.4.11.18 (methionyl aminopeptidase) inhibitor +is_a: CHEBI:76787 ! EC 3.4.11.* (aminopeptidase) inhibitor [Term] -id: CHEBI:25166 -name: mannosamine -is_a: CHEBI:24586 ! hexosamine +id: CHEBI:73361 +name: methionine aminopeptidase 2 inhibitor +is_a: CHEBI:73360 ! EC 3.4.11.18 (methionyl aminopeptidase) inhibitor [Term] -id: CHEBI:25168 -name: mannosylinositol phosphorylceramide -is_a: CHEBI:26057 ! phosphoglycosphingolipid -is_a: CHEBI:60245 ! inositol phosphoceramide +id: CHEBI:73373 +name: cobalt(II)-factor III +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:33906 ! cobalt corrinoid [Term] -id: CHEBI:25169 -name: mannoside -is_a: CHEBI:35313 ! hexoside +id: CHEBI:73387 +name: caldariellaquinone +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:38836 ! 1-benzothiophenes +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25179 -name: melanins -is_a: CHEBI:26195 ! polyphenol -relationship: has_role CHEBI:26130 ! biological pigment +id: CHEBI:73388 +name: caldariellaquinol +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:38836 ! 1-benzothiophenes +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25185 -name: menaquinones -is_a: CHEBI:26254 ! prenylnaphthoquinone +id: CHEBI:73389 +name: O-ureido-L-serine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:25186 -name: p-menthane monoterpenoid -is_a: CHEBI:25409 ! monoterpenoid +id: CHEBI:73398 +name: indole skeleton +is_a: CHEBI:73541 ! organic heterobicyclic ring [Term] -id: CHEBI:25187 -name: p-menthan-3-ol -is_a: CHEBI:25186 ! p-menthane monoterpenoid -is_a: CHEBI:35681 ! secondary alcohol -relationship: has_role CHEBI:27311 ! volatile oil component +id: CHEBI:73418 +name: 1-(1-hydroxyalkyl)-sn-glycerol +is_a: CHEBI:15850 ! 1-O-alkyl-sn-glycerol +is_a: CHEBI:5653 ! hemiacetal [Term] -id: CHEBI:25189 -name: 1,4-dimercaptobutane-2,3-diol -is_a: CHEBI:13643 ! glycol -is_a: CHEBI:22944 ! butanediols -is_a: CHEBI:29256 ! thiol +id: CHEBI:73423 +name: 1-(alk-1-enyl)-sn-glycero-3-phosphate +is_a: CHEBI:17106 ! 1-alkyl-sn-glycerol 3-phosphate +is_a: CHEBI:76170 ! olefinic phospholipid [Term] -id: CHEBI:25195 -name: mercury atom -is_a: CHEBI:33340 ! zinc group element atom +id: CHEBI:73474 +name: acetylenic compound +is_a: CHEBI:72695 ! organic molecule [Term] -id: CHEBI:25196 -name: mercury molecular entity -is_a: CHEBI:33673 ! zinc group molecular entity -relationship: has_part CHEBI:25195 ! mercury atom +id: CHEBI:73477 +name: terminal acetylenic compound +is_a: CHEBI:73474 ! acetylenic compound [Term] -id: CHEBI:25197 -name: mercury cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:35113 ! elemental mercury +id: CHEBI:73482 +name: grixazone A(1-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion [Term] -id: CHEBI:25212 -name: metabolite -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:73483 +name: grixazone B(2-) +is_a: CHEBI:59814 ! L-alpha-amino acid anion [Term] -id: CHEBI:25213 -name: metal cation -is_a: CHEBI:23906 ! monoatomic cation -is_a: CHEBI:36915 ! inorganic cation +id: CHEBI:73500 +name: 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:25214 -name: metal-sulfur cluster -is_a: CHEBI:33733 ! heteronuclear cluster -relationship: has_role CHEBI:26348 ! prosthetic group +id: CHEBI:73504 +name: (9Z)-octadecen-1-ol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +is_a: CHEBI:78147 ! fatty alcohol 18:1 +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:38828 ! nonionic surfactant [Term] -id: CHEBI:25216 -name: metalloporphyrin -is_a: CHEBI:26214 ! porphyrins -is_a: CHEBI:33240 ! coordination entity -is_a: CHEBI:33909 ! metallotetrapyrrole +id: CHEBI:7351 +name: N(4)-acetyl-L-2,4-diaminobutyric acid +is_a: CHEBI:22160 ! acetamides [Term] -id: CHEBI:25223 -name: methanesulfonate ester -is_a: CHEBI:48544 ! methanesulfonates -is_a: CHEBI:83347 ! organosulfonic ester +id: CHEBI:73532 +name: N(6)-(dimethylallyl)adenosine 5'-triphosphate(4-) +is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion [Term] -id: CHEBI:25224 -name: methanesulfonate -is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate +id: CHEBI:73533 +name: N(6)-(dimethylallyl)adenosine 5'-diphosphate(3-) +is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) [Term] -id: CHEBI:25230 -name: methionine derivative -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:73534 +name: (9Z,12Z)-octadecadien-1-ol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +is_a: CHEBI:78150 ! fatty alcohol 18:2 [Term] -id: CHEBI:25235 -name: monomethoxybenzene -is_a: CHEBI:51683 ! methoxybenzenes +id: CHEBI:73536 +name: O-ureido-L-serine +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25248 -name: methyl ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:73537 +name: 1,8-naphthyridine derivative +is_a: CHEBI:73539 ! naphthyridine derivative [Term] -id: CHEBI:25253 -name: methyl halides -is_a: CHEBI:39279 ! halomethane +id: CHEBI:73539 +name: naphthyridine derivative +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] -id: CHEBI:25255 -name: methyl methanesulfonate -is_a: CHEBI:25223 ! methanesulfonate ester -relationship: has_role CHEBI:22333 ! alkylating agent -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:68495 ! apoptosis inducer +id: CHEBI:73541 +name: organic heterobicyclic ring +is_a: CHEBI:52845 ! cyclic organic group [Term] -id: CHEBI:25263 -name: methyl D-galactoside -is_a: CHEBI:20961 ! D-galactoside -is_a: CHEBI:60982 ! methyl galactoside +id: CHEBI:73542 +name: N(1)-methylguanosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:25268 -name: methyl-L-methionine -is_a: CHEBI:84121 ! L-methionine derivative +id: CHEBI:73543 +name: 7-[(3S)-3-amino-3-carboxypropyl]wyosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:25271 -name: methyl-branched fatty acyl-CoA -is_a: CHEBI:61912 ! branched-chain fatty acyl-CoA +id: CHEBI:73544 +name: wybutosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:25274 -name: methylamines -is_a: CHEBI:22331 ! alkylamines +id: CHEBI:73546 +name: grixazone A +is_a: CHEBI:21575 ! N-acetyl-amino acid +is_a: CHEBI:25970 ! phenoxazine +is_a: CHEBI:33855 ! arenecarbaldehyde +is_a: CHEBI:83824 ! L-cysteine derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25280 -name: methylbenzoic acid -is_a: CHEBI:22723 ! benzoic acids +id: CHEBI:73548 +name: grixazone B +is_a: CHEBI:21575 ! N-acetyl-amino acid +is_a: CHEBI:23509 ! cysteine derivative +is_a: CHEBI:25970 ! phenoxazine +is_a: CHEBI:83824 ! L-cysteine derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25286 -name: methylbutanoyl-CoA -is_a: CHEBI:22954 ! butanoyl-CoAs -is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +id: CHEBI:73549 +name: 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA +is_a: CHEBI:65260 ! 3-hydroxyacyl-CoA [Term] -id: CHEBI:25302 -name: methyl glycoside -is_a: CHEBI:24400 ! glycoside +id: CHEBI:73550 +name: 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:25307 -name: methylguanosine -is_a: CHEBI:24458 ! guanosines +id: CHEBI:73552 +name: 7-[(3S-amino)-3-carboxypropyl]wyosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:25322 -name: methylmercury compound -is_a: CHEBI:33255 ! alkylmercury compound +id: CHEBI:73553 +name: 7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate [Term] -id: CHEBI:25340 -name: methylpyridines -is_a: CHEBI:26421 ! pyridines +id: CHEBI:73555 +name: 7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:25347 -name: methyluridine -is_a: CHEBI:27242 ! uridines +id: CHEBI:73556 +name: 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:25348 -name: methylxanthine -is_a: CHEBI:26385 ! purine alkaloid +id: CHEBI:73557 +name: 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate [Term] -id: CHEBI:25350 -name: mevalonate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:73558 +name: D3 vitamins +is_a: CHEBI:27300 ! vitamin D [Term] -id: CHEBI:25351 -name: mevalonic acid -is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:73559 +name: 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:25354 -name: mineralocorticoid -is_a: CHEBI:36699 ! corticosteroid hormone +id: CHEBI:73599 +name: 3-methylthioaspartate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:25355 -name: mitochondrial respiratory-chain inhibitor -is_a: CHEBI:38497 ! respiratory-chain inhibitor +id: CHEBI:73603 +name: 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:25357 -name: mitomycin -is_a: CHEBI:23003 ! carbamate ester -is_a: CHEBI:25830 ! p-quinones -is_a: CHEBI:38303 ! azirinopyrroloindole -relationship: has_role CHEBI:24853 ! intercalator -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:73610 +name: Met-Ala +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25362 -name: elemental molecule -is_a: CHEBI:25367 ! molecule -is_a: CHEBI:33259 ! elemental molecular entity +id: CHEBI:73619 +name: 3-methylthioaspartic acid residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:25367 -name: molecule -is_a: CHEBI:36357 ! polyatomic entity +id: CHEBI:73620 +name: 3-methylthioaspartate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:63470 ! sulfur-containing amino-acid anion [Term] -id: CHEBI:25370 -name: molybdenum molecular entity -is_a: CHEBI:33741 ! chromium group molecular entity -relationship: has_part CHEBI:28685 ! molybdenum atom +id: CHEBI:73621 +name: 3-methylthioaspartic acid +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83978 ! L-aspartic acid derivative +is_a: CHEBI:86315 ! methyl sulfide [Term] -id: CHEBI:25371 -name: molybdic acid -is_a: CHEBI:36267 ! molybdenum oxoacid +id: CHEBI:73624 +name: 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:25372 -name: molybdopterin cofactor -is_a: CHEBI:35203 ! molybdopterins -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:73625 +name: 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate [Term] -id: CHEBI:25375 -name: monoamine molecular messenger -is_a: CHEBI:63534 ! monoamine -relationship: has_role CHEBI:33280 ! molecular messenger +id: CHEBI:73626 +name: 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:25384 -name: monocarboxylic acid -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:73672 +name: cyclic ADP-ribose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:25388 -name: monohydroxybenzoate -is_a: CHEBI:24675 ! hydroxybenzoate +id: CHEBI:73673 +name: (S)-alpha-hydroxyglutarate-gamma-lactone +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:25389 -name: monohydroxybenzoic acid -is_a: CHEBI:24676 ! hydroxybenzoic acid +id: CHEBI:73674 +name: carbamoyl adenylate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25399 -name: cresol -is_a: CHEBI:24751 ! hydroxytoluene -is_a: CHEBI:87034 ! aromatic fungicide +id: CHEBI:73675 +name: 6''-O-carbamoylkanamycin A(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:25408 -name: monoterpene ketone -is_a: CHEBI:26872 ! terpene ketone +id: CHEBI:73677 +name: (S)-alpha-hydroxyglutaric acid-gamma-lactone +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:25384 ! monocarboxylic acid [Term] -id: CHEBI:25409 -name: monoterpenoid -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:73678 +name: tobramycin(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:25413 -name: monounsaturated fatty acid -is_a: CHEBI:27208 ! unsaturated fatty acid +id: CHEBI:73679 +name: nebramycin 5'(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:25414 -name: monoatomic monocation -is_a: CHEBI:23906 ! monoatomic cation +id: CHEBI:73680 +name: carbamoyl adenylate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:25418 -name: morphinane alkaloid -is_a: CHEBI:24921 ! isoquinoline alkaloid +id: CHEBI:73682 +name: L-threonylcarbamoyladenylate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25427 -name: mugineic acids -is_a: CHEBI:27093 ! tricarboxylic acid -is_a: CHEBI:46891 ! azetidinecarboxylic acid -relationship: has_role CHEBI:38155 ! phytosiderophore +id: CHEBI:73683 +name: 6''-O-carbamoylkanamycin A +is_a: CHEBI:73684 ! carbamoylkanamycin [Term] -id: CHEBI:25430 -name: monoatomic polycation -is_a: CHEBI:23906 ! monoatomic cation +id: CHEBI:73684 +name: carbamoylkanamycin +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:24951 ! kanamycins [Term] -id: CHEBI:25432 -name: muramic acids -is_a: CHEBI:28963 ! amino sugar -is_a: CHEBI:63436 ! carbohydrate acid derivative +id: CHEBI:73686 +name: nebramycin 5' +is_a: CHEBI:73684 ! carbamoylkanamycin [Term] -id: CHEBI:25435 -name: mutagen -is_a: CHEBI:50902 ! genotoxin +id: CHEBI:73688 +name: Ac-Asp-Glu +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:25437 -name: mycolates -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:73690 +name: erythrose 4-phosphate/phosphoenolpyruvate family amino acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:83813 ! proteinogenic amino acid [Term] -id: CHEBI:25438 -name: mycolic acid -is_a: CHEBI:35819 ! branched-chain fatty acid +id: CHEBI:73693 +name: ketone body +is_a: CHEBI:36586 ! carbonyl compound +is_a: CHEBI:61697 ! fatty acid derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:63726 ! neuroprotective agent [Term] -id: CHEBI:25441 -name: mycothiols -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:63353 ! disaccharide derivative +id: CHEBI:73702 +name: wax +is_a: CHEBI:59999 ! chemical substance +is_a: CHEBI:61697 ! fatty acid derivative [Term] -id: CHEBI:25442 -name: mycotoxin -is_a: CHEBI:27026 ! toxin -is_a: CHEBI:76946 ! fungal metabolite +id: CHEBI:73706 +name: bromosuccinate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:25445 -name: myo-inositol hexakisphosphates -is_a: CHEBI:18087 ! myo-inositol polyphosphate +id: CHEBI:73709 +name: (S)-2-hydroxybutyrate +is_a: CHEBI:64552 ! 2-hydroxybutyrate [Term] -id: CHEBI:25448 -name: myo-inositol phosphate -is_a: CHEBI:24846 ! inositol phosphate +id: CHEBI:73712 +name: bromosuccinic acid +is_a: CHEBI:134367 ! 2-bromocarboxylic acid +is_a: CHEBI:35692 ! dicarboxylic acid [Term] -id: CHEBI:25449 -name: myo-inositol tetrakisphosphate -is_a: CHEBI:18087 ! myo-inositol polyphosphate +id: CHEBI:73722 +name: hexadecanedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:25450 -name: myo-inositol trisphosphate -is_a: CHEBI:18087 ! myo-inositol polyphosphate +id: CHEBI:73723 +name: N-oleoylglycine +is_a: CHEBI:134152 ! N-acylglycine 18:1 +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25477 -name: naphthalenes -is_a: CHEBI:33836 ! benzenoid aromatic compound -is_a: CHEBI:36785 ! carbobicyclic compound +id: CHEBI:73730 +name: PPARbeta/delta agonist +is_a: CHEBI:48705 ! agonist +is_a: CHEBI:70781 ! PPAR modulator [Term] -id: CHEBI:25478 -name: naphthalenesulfonate -is_a: CHEBI:22713 ! arenesulfonate oxoanion +id: CHEBI:73731 +name: (11Z,14Z)-icosadienoic acid +is_a: CHEBI:72850 ! icosadienoic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25481 -name: naphthoquinone -is_a: CHEBI:36141 ! quinone +id: CHEBI:73743 +name: 2-(3-amino-3-carboxypropyl)-L-histidine zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:25491 -name: nematicide -is_a: CHEBI:25944 ! pesticide +id: CHEBI:73745 +name: 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine residue +is_a: CHEBI:64768 ! zwitterionic group +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:25500 -name: neopterins -is_a: CHEBI:26375 ! pterins +id: CHEBI:73754 +name: thiosugar +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:63299 ! carbohydrate derivative [Term] -id: CHEBI:25501 -name: neoxanthin -is_a: CHEBI:35307 ! epoxycarotenol -is_a: CHEBI:37602 ! allenes +id: CHEBI:73757 +name: Ala-Gly +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25506 -name: neuraminates -is_a: CHEBI:63561 ! ketoaldonate derivative +id: CHEBI:73762 +name: Ala-Thr +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25508 -name: neuraminic acids -is_a: CHEBI:28963 ! amino sugar -is_a: CHEBI:63394 ! ketoaldonic acid derivative +id: CHEBI:73763 +name: 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:25512 -name: neurotransmitter -is_a: CHEBI:33280 ! molecular messenger +id: CHEBI:73764 +name: 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84076 ! L-histidine derivative [Term] -id: CHEBI:25513 -name: neutral glycosphingolipid -is_a: CHEBI:24402 ! glycosphingolipid +id: CHEBI:73770 +name: Ala-Leu +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25516 -name: nickel cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:60248 ! nickel ion +id: CHEBI:73771 +name: Ala-His +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25519 -name: nickel tetrapyrrole -is_a: CHEBI:33909 ! metallotetrapyrrole +id: CHEBI:73772 +name: K antigen +is_a: CHEBI:65212 ! polysaccharide derivative +relationship: has_role CHEBI:59132 ! antigen [Term] -id: CHEBI:25520 -name: nicotianamine -is_a: CHEBI:25427 ! mugineic acids +id: CHEBI:73774 +name: enterobacterial common antigen +is_a: CHEBI:65212 ! polysaccharide derivative +relationship: has_part CHEBI:73776 ! N-acetyl-D-glucosaminyl group +relationship: has_part CHEBI:73781 ! N-acetyl-D-mannosaminouronosyl group +relationship: has_part CHEBI:73785 ! 4-acetamido-4,6-dideoxy-D-galactosyl group +relationship: has_role CHEBI:59132 ! antigen [Term] -id: CHEBI:25523 -name: NADP -is_a: CHEBI:25524 ! NAD(P) +id: CHEBI:73776 +name: N-acetyl-D-glucosaminyl group +is_a: CHEBI:21524 ! N-acetyl-D-glucosaminyl groups [Term] -id: CHEBI:25524 -name: NAD(P) -is_a: CHEBI:37007 ! nicotinamide dinucleotide -relationship: has_role CHEBI:23354 ! coenzyme +id: CHEBI:73777 +name: N-acetyl-D-mannosaminouronic acid +is_a: CHEBI:63436 ! carbohydrate acid derivative [Term] -id: CHEBI:25526 -name: N-glycosylnicotinamide -is_a: CHEBI:36979 ! N-glycosylpyridine +id: CHEBI:73779 +name: Gly-Pro zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:25527 -name: nicotinamide nucleotide -is_a: CHEBI:36980 ! pyridine nucleotide +id: CHEBI:73781 +name: N-acetyl-D-mannosaminouronosyl group +is_a: CHEBI:24403 ! glycosyl group [Term] -id: CHEBI:25529 -name: pyridinecarboxamide -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:73783 +name: 4-acetamido-4,6-dideoxy-D-galactose +is_a: CHEBI:28963 ! amino sugar +is_a: CHEBI:63347 ! dideoxyhexose derivative [Term] -id: CHEBI:25534 -name: nicotinic acid nucleotide -is_a: CHEBI:36980 ! pyridine nucleotide +id: CHEBI:73784 +name: Gly-Glu(1-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:25540 -name: neonicotinoid insectide -is_a: CHEBI:24852 ! insecticide -is_a: CHEBI:47958 ! nicotinic acetylcholine receptor agonist -is_a: CHEBI:50910 ! neurotoxin +id: CHEBI:73785 +name: 4-acetamido-4,6-dideoxy-D-galactosyl group +is_a: CHEBI:24160 ! galactosaminyl group [Term] -id: CHEBI:25548 -name: nitrilotriacetate(3-) -is_a: CHEBI:27092 ! tricarboxylic acid trianion -is_a: CHEBI:39054 ! NTA +id: CHEBI:73786 +name: Ala-Gly zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:25555 -name: nitrogen atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33300 ! pnictogen -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:73788 +name: Ala-Gln +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25558 -name: organonitrogen heterocyclic antibiotic -is_a: CHEBI:24531 ! heterocyclic antibiotic -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:73792 +name: 1-arachidonoyl-sn-glycerol 3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25560 -name: nitroglycerol -is_a: CHEBI:51080 ! nitrate ester +id: CHEBI:73801 +name: Gly-Glu +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25562 -name: nitrophenol -is_a: CHEBI:33853 ! phenols +id: CHEBI:73802 +name: 1-nitrocyclohexene +is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:35716 ! C-nitro compound [Term] -id: CHEBI:25566 -name: nitrotoluene -is_a: CHEBI:27024 ! toluenes -is_a: CHEBI:35716 ! C-nitro compound +id: CHEBI:73803 +name: Ala-Asp +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25567 -name: nitrous acid -is_a: CHEBI:33455 ! nitrogen oxoacid +id: CHEBI:73841 +name: lysophosphatidylcholine (P-16:0/0:0) +is_a: CHEBI:140773 ! lysophosphatidylcholine P-16:0 +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:73850 +name: 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:73841 ! lysophosphatidylcholine (P-16:0/0:0) [Term] -id: CHEBI:25585 -name: nonmetal atom -is_a: CHEBI:33250 ! atom +id: CHEBI:73851 +name: 1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:140432 ! [(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64560 ! lysophosphatidylcholine 16:1 +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:2559 -name: aldohexose 6-phosphate -is_a: CHEBI:47877 ! hexose 6-phosphate +id: CHEBI:73852 +name: (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:25604 -name: nucleotide-(amino alcohol)s -is_a: CHEBI:22478 ! amino alcohol -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:73856 +name: (7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:25605 -name: nucleoside antibiotic -is_a: CHEBI:33281 ! antimicrobial agent +id: CHEBI:73857 +name: (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:25608 -name: nucleoside phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester -is_a: CHEBI:61120 ! nucleobase-containing molecular entity +id: CHEBI:73858 +name: 1-stearoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64561 ! lysophosphatidylcholine 18:0 +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:25609 -name: nucleotide-sugar -is_a: CHEBI:35241 ! nucleotide-carbohydrate -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:7386 +name: 4-acetamidobutanal +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:25614 -name: nylons -is_a: CHEBI:61445 ! poly(amide) polymer -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:73862 +name: (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:25622 -name: orthoquinones -is_a: CHEBI:36141 ! quinone +id: CHEBI:73863 +name: (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:25626 -name: octadecadienoate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:73870 +name: (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:25627 -name: octadecadienoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:53339 ! olefinic fatty acid -is_a: CHEBI:59202 ! straight-chain fatty acid +id: CHEBI:73871 +name: (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:25629 -name: octadecanoate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion -is_a: CHEBI:78125 ! fatty acid anion 18:0 -is_a: CHEBI:83955 ! 1,2-saturated fatty acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:73873 +name: 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:131986 ! 1-docosahexaenoyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:25633 -name: octadecatrienoic acid -is_a: CHEBI:132502 ! fatty acid 18:3 -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:59202 ! straight-chain fatty acid +id: CHEBI:73874 +name: (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:25634 -name: octadecenoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:25413 ! monounsaturated fatty acid -is_a: CHEBI:53339 ! olefinic fatty acid +id: CHEBI:73876 +name: (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:25639 -name: octadienol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:50582 ! alkenyl alcohol +id: CHEBI:73883 +name: UDP-alpha-D-apiose(2-) +is_a: CHEBI:57572 ! UDP-D-apiose(2-) [Term] -id: CHEBI:25640 -name: octamethylcyclotetrasiloxane -is_a: CHEBI:25713 ! organosilicon compound -is_a: CHEBI:48144 ! cyclosiloxane +id: CHEBI:73886 +name: UDP-alpha-D-apiose +is_a: CHEBI:15933 ! UDP-D-apiose [Term] -id: CHEBI:25646 -name: octanoate -is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion -is_a: CHEBI:78117 ! fatty acid anion 8:0 -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:73887 +name: (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:25676 -name: oligopeptide -is_a: CHEBI:16670 ! peptide +id: CHEBI:73888 +name: Gly-Asn +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25681 -name: omega-3 fatty acid -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:59549 ! essential fatty acid -relationship: has_role CHEBI:76507 ! marine metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:73898 +name: Gly-Gln +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50267 ! protective agent [Term] -id: CHEBI:25692 -name: ommochrome -is_a: CHEBI:25970 ! phenoxazine -is_a: CHEBI:33659 ! organic aromatic compound -relationship: has_role CHEBI:26130 ! biological pigment +id: CHEBI:73913 +name: antifolate +is_a: CHEBI:35221 ! antimetabolite [Term] -id: CHEBI:25693 -name: organic heteromonocyclic compound -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:33670 ! heteromonocyclic compound +id: CHEBI:73931 +name: GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:25696 -name: organic anion -is_a: CHEBI:22563 ! anion -is_a: CHEBI:25699 ! organic ion +id: CHEBI:73932 +name: GDP-beta-L-colitose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:25697 -name: organic cation -is_a: CHEBI:25699 ! organic ion -is_a: CHEBI:36916 ! cation +id: CHEBI:73933 +name: dTDP-alpha-D-fucose(2-) +is_a: CHEBI:58172 ! dTDP-D-fucose(2-) [Term] -id: CHEBI:25698 -name: ether -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:73934 +name: (S)-2-chloropropanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:25699 -name: organic ion -is_a: CHEBI:24870 ! ion -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:73935 +name: 2-chloroacrylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:73966 ! nitric oxide synthase activator [Term] -id: CHEBI:25701 -name: organic oxide -is_a: CHEBI:25741 ! oxide -is_a: CHEBI:72695 ! organic molecule +id: CHEBI:73936 +name: L-enduracididine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:25702 -name: organic peroxide -is_a: CHEBI:25701 ! organic oxide -is_a: CHEBI:25940 ! peroxides +id: CHEBI:73937 +name: (3S)-3-hydroxy-L-enduracididine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:25703 -name: organic phosphate -is_a: CHEBI:25710 ! organophosphorus compound -is_a: CHEBI:26020 ! phosphate -is_a: CHEBI:26079 ! phosphoric acid derivative +id: CHEBI:73938 +name: (3S)-3-hydroxy-L-arginine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:25704 -name: organic sulfate -is_a: CHEBI:26820 ! sulfates -is_a: CHEBI:37826 ! sulfuric acid derivative +id: CHEBI:73939 +name: (3S,5S)-carbapenam-3-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:25705 -name: organochlorine insecticide -is_a: CHEBI:38656 ! organochlorine pesticide -relationship: has_role CHEBI:24852 ! insecticide +id: CHEBI:73940 +name: GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose +is_a: CHEBI:21169 ! GDP-sugar [Term] -id: CHEBI:25706 -name: organomercury compound -is_a: CHEBI:25196 ! mercury molecular entity -is_a: CHEBI:25707 ! organometallic compound +id: CHEBI:73943 +name: (5R)-carbapenem-3-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:25707 -name: organometallic compound -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:73946 +name: GDP-beta-L-colitose +is_a: CHEBI:21169 ! GDP-sugar [Term] -id: CHEBI:2571 -name: aliphatic alcohol -is_a: CHEBI:30879 ! alcohol +id: CHEBI:73950 +name: dTDP-alpha-D-fucose +is_a: CHEBI:17510 ! dTDP-D-fucose [Term] -id: CHEBI:25710 -name: organophosphorus compound -is_a: CHEBI:26082 ! phosphorus molecular entity -is_a: CHEBI:33285 ! heteroorganic entity +id: CHEBI:73953 +name: novobiocic acid(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:25711 -name: organophosphorus insecticide -is_a: CHEBI:39093 ! organophosphorus pesticide -relationship: has_role CHEBI:24852 ! insecticide +id: CHEBI:73954 +name: 8-desmethylnovobiocic acid(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:25712 -name: organoselenium compound -is_a: CHEBI:26628 ! selenium molecular entity -is_a: CHEBI:36962 ! organochalcogen compound +id: CHEBI:73955 +name: descarbamoylnovobiocin(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:25713 -name: organosilicon compound -is_a: CHEBI:26677 ! silicon molecular entity -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:73956 +name: (S)-2-chloropropanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:36685 ! chlorocarboxylic acid +relationship: has_role CHEBI:50910 ! neurotoxin [Term] -id: CHEBI:25715 -name: organothiophosphate insecticide -is_a: CHEBI:25711 ! organophosphorus insecticide +id: CHEBI:73957 +name: desmethyldescarbamoylnovobiocin(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:25716 -name: organothiophosphorus compound -is_a: CHEBI:25710 ! organophosphorus compound -is_a: CHEBI:26835 ! sulfur molecular entity +id: CHEBI:73962 +name: (5S)-5-(carboxymethyl)-L-proline(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion [Term] -id: CHEBI:25717 -name: organotin compound -is_a: CHEBI:25707 ! organometallic compound -is_a: CHEBI:27008 ! tin molecular entity +id: CHEBI:73963 +name: 2-chloroacrylic acid +is_a: CHEBI:36685 ! chlorocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25728 -name: osmolyte -is_a: CHEBI:24432 ! biological role +id: CHEBI:73966 +name: nitric oxide synthase activator +is_a: CHEBI:35224 ! effector [Term] -id: CHEBI:25741 -name: oxide -is_a: CHEBI:25806 ! oxygen molecular entity -is_a: CHEBI:37577 ! heteroatomic molecular entity +id: CHEBI:73969 +name: L-enduracididine +is_a: CHEBI:38261 ! imidazolidines +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84076 ! L-histidine derivative [Term] -id: CHEBI:25750 -name: oxime -is_a: CHEBI:50860 ! organic molecular entity -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:73971 +name: (3S)-3-hydroxy-L-enduracididine +is_a: CHEBI:38261 ! imidazolidines +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83965 ! L-arginine derivative +is_a: CHEBI:84076 ! L-histidine derivative [Term] -id: CHEBI:25754 -name: oxo carboxylic acid -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:73972 +name: (3S)-3-hydroxy-L-arginine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:24658 ! hydroxy-L-arginine +is_a: CHEBI:35681 ! secondary alcohol [Term] -id: CHEBI:2580 -name: unsaturated fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:73973 +name: beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25805 -name: oxygen atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33303 ! chalcogen -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:73975 +name: 3-oxomontanoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:25806 -name: oxygen molecular entity -is_a: CHEBI:33304 ! chalcogen molecular entity -relationship: has_part CHEBI:25805 ! oxygen atom +id: CHEBI:73976 +name: 3-oxomontanoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:25807 -name: organooxygen heterocyclic antibiotic -is_a: CHEBI:24531 ! heterocyclic antibiotic +id: CHEBI:73977 +name: 3-oxotetracosanoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:25810 -name: oxopurine -is_a: CHEBI:26401 ! purines +id: CHEBI:73978 +name: (3S,5S)-carbapenam-3-carboxylic acid +is_a: CHEBI:64510 ! carbapenam [Term] -id: CHEBI:25812 -name: ozone -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:25362 ! elemental molecule -is_a: CHEBI:26523 ! reactive oxygen species -is_a: CHEBI:33265 ! triatomic oxygen -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:35204 ! tracer -relationship: has_role CHEBI:48218 ! antiseptic drug -relationship: has_role CHEBI:48219 ! disinfectant -relationship: has_role CHEBI:59739 ! electrophilic reagent -relationship: has_role CHEBI:63248 ! oxidising agent -relationship: has_role CHEBI:76413 ! greenhouse gas +id: CHEBI:73980 +name: 3-oxohexacosanoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:25822 -name: p-cumate -is_a: CHEBI:23410 ! cumate -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:73984 +name: beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25826 -name: p-menthane -is_a: CHEBI:35187 ! monoterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:73986 +name: beta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25830 -name: p-quinones -is_a: CHEBI:36141 ! quinone +id: CHEBI:73987 +name: alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25845 -name: pantetheines -is_a: CHEBI:25848 ! pantothenic acids +id: CHEBI:73988 +name: beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25848 -name: pantothenic acids -is_a: CHEBI:22823 ! beta-alanine derivative -is_a: CHEBI:37622 ! carboxamide -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:27314 ! water-soluble vitamin +id: CHEBI:73990 +name: 2-oleoylglycerol +is_a: CHEBI:134141 ! 2-acylglycerol 18:1 +is_a: CHEBI:75937 ! monooleoylglycerol [Term] -id: CHEBI:25863 -name: pelargonidin -is_a: CHEBI:140277 ! 5-hydroxyanthocyanidin -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:73991 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25865 -name: penicillanic acids -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:35992 ! penams +id: CHEBI:73993 +name: alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25872 -name: pentacyclic triterpenoid -is_a: CHEBI:36615 ! triterpenoid -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:73995 +name: 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine zwitterion residue +is_a: CHEBI:73743 ! 2-(3-amino-3-carboxypropyl)-L-histidine zwitterion residue [Term] -id: CHEBI:25878 -name: pentaerythritol nitrate -is_a: CHEBI:51080 ! nitrate ester +id: CHEBI:73996 +name: GDP-4-amino-4,6-dideoxy-alpha-D-mannose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:25879 -name: pentaerythritol tetranitrate -is_a: CHEBI:25878 ! pentaerythritol nitrate -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:63490 ! explosive +id: CHEBI:73997 +name: GDP-N-acetyl-alpha-D-perosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:2588 -name: Alkylated DNA -is_a: CHEBI:60027 ! polymer +id: CHEBI:73998 +name: 1-hexadecanoyl-2-[(9Z)-hexadec-9-enoyl]-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:25883 -name: pentahydroxyflavone -is_a: CHEBI:24698 ! hydroxyflavone +id: CHEBI:73999 +name: 1-hexadecanoyl-2-[(9Z)-hexadec-9-enoyl]-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71712 ! phosphatidylethanolamine 32:1 zwitterion [Term] -id: CHEBI:25898 -name: pentitol phosphate -is_a: CHEBI:22297 ! alditol phosphate -is_a: CHEBI:63434 ! pentitol derivative +id: CHEBI:74000 +name: 1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66849 ! phosphatidylcholine 32:1 +is_a: CHEBI:75240 ! 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:25899 -name: pentitol -is_a: CHEBI:17522 ! alditol +id: CHEBI:74001 +name: 1-O-octadecyl-sn-glycerol +is_a: CHEBI:15850 ! 1-O-alkyl-sn-glycerol +is_a: CHEBI:34117 ! batilol [Term] -id: CHEBI:25900 -name: aldopentose phosphate -is_a: CHEBI:35131 ! aldose phosphate -is_a: CHEBI:84055 ! pentose phosphate +id: CHEBI:74004 +name: CDP-2,3-bis-(O-phytanyl)-sn-glycerol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25901 -name: pentose -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:74005 +name: 8-desmethylnovobiocic acid +is_a: CHEBI:22702 ! benzamides +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25903 -name: peptide antibiotic -is_a: CHEBI:16670 ! peptide -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:74006 +name: 1-archaetidyl-1D-myo-inositol 3-phosphate(3-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:25905 -name: peptide hormone -is_a: CHEBI:16670 ! peptide -relationship: has_role CHEBI:24621 ! hormone +id: CHEBI:74008 +name: 3-O-phospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25909 -name: peptidyl-1-thioglycine -is_a: CHEBI:25921 ! peptidyl-glycine -is_a: CHEBI:26965 ! thioglycines +id: CHEBI:74009 +name: 3-O-methylphospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25914 -name: peptidyl-amino acid -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:74010 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:25920 -name: peptidyl-glycine cholesteryl ester -is_a: CHEBI:24372 ! glycine cholesterol esters -is_a: CHEBI:25921 ! peptidyl-glycine +id: CHEBI:74011 +name: (11Z)-3-oxoicosa-11-enoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:25921 -name: peptidyl-glycine -is_a: CHEBI:24373 ! glycine derivative -is_a: CHEBI:25914 ! peptidyl-amino acid +id: CHEBI:74012 +name: (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:25940 -name: peroxides -is_a: CHEBI:25741 ! oxide -relationship: has_part CHEBI:29369 ! peroxy group +id: CHEBI:74020 +name: diosgenin 3-O-beta-D-glucoside +is_a: CHEBI:37424 ! sterol 3-beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:70994 ! hexacyclic triterpenoid +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25944 -name: pesticide -is_a: CHEBI:33232 ! application +id: CHEBI:74023 +name: dioscin +is_a: CHEBI:38091 ! spirostanyl glycoside +is_a: CHEBI:63571 ! trisaccharide derivative +is_a: CHEBI:70994 ! hexacyclic triterpenoid +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:68495 ! apoptosis inducer [Term] -id: CHEBI:25961 -name: phenanthrenes -is_a: CHEBI:33836 ! benzenoid aromatic compound -is_a: CHEBI:38032 ! carbotricyclic compound -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:74026 +name: 26-desglucoprotodioscin +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:59780 ! cyclic hemiketal +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:63571 ! trisaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25970 -name: phenoxazine -is_a: CHEBI:26979 ! organic heterotricyclic compound +id: CHEBI:74028 +name: beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:25973 -name: phenylacetaldehydes -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:74030 +name: 3'-N-debenzoyl-2'-deoxytaxol +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:50367 ! taxane diterpenoid +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:52557 ! tetracyclic diterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:25985 -name: phenylalanine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:74032 +name: beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:25990 -name: phenylethanolamines -is_a: CHEBI:23981 ! ethanolamines +id: CHEBI:74033 +name: beta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:26004 -name: phenylpropanoid -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:74034 +name: alpha-linolenoyl-CoA(4-) +is_a: CHEBI:139563 ! octadecatrienoyl-CoA(4-) [Term] -id: CHEBI:26008 -name: phenylpyruvate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:74036 +name: alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:26013 -name: pheromone -is_a: CHEBI:26645 ! semiochemical +id: CHEBI:74037 +name: (11Z)-3-oxoicosa-11-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:26020 -name: phosphate -is_a: CHEBI:26079 ! phosphoric acid derivative +id: CHEBI:74038 +name: beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:26034 -name: phosphatidylinositol 3-phosphate -is_a: CHEBI:26036 ! phosphatidylinositol monophosphate +id: CHEBI:74040 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:26036 -name: phosphatidylinositol monophosphate -is_a: CHEBI:28765 ! phosphatidylinositol phosphate +id: CHEBI:74041 +name: alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:26186 ! polyprenyl phospho oligosaccharide [Term] -id: CHEBI:26044 -name: phosphinic acids -is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives +id: CHEBI:74042 +name: 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion +is_a: CHEBI:58031 ! 2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion [Term] -id: CHEBI:26045 -name: phosphite ion -is_a: CHEBI:33461 ! phosphorus oxoanion +id: CHEBI:74043 +name: 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine +is_a: CHEBI:17144 ! 2-(3-amino-3-carboxypropyl)-L-histidine [Term] -id: CHEBI:26051 -name: phosphoamino acid -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:74045 +name: GDP-4-amino-4,6-dideoxy-alpha-D-mannose +is_a: CHEBI:21167 ! GDP-hexose [Term] -id: CHEBI:26057 -name: phosphoglycosphingolipid -is_a: CHEBI:24397 ! glycophospholipid -is_a: CHEBI:35786 ! phosphosphingolipid -is_a: CHEBI:36526 ! acidic glycosphingolipid +id: CHEBI:74047 +name: GDP-N-acetyl-alpha-D-perosamine +is_a: CHEBI:21167 ! GDP-hexose [Term] -id: CHEBI:26066 -name: phosphonate -is_a: CHEBI:37588 ! phosphonic acid derivative +id: CHEBI:74050 +name: CDP-2,3-bis-(O-phytanyl)-sn-glycerol +is_a: CHEBI:35774 ! CDP-glycerols +is_a: CHEBI:64611 ! ether lipid [Term] -id: CHEBI:26069 -name: phosphonic acids -is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives +id: CHEBI:74054 +name: (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:26073 -name: phosphopantetheine -is_a: CHEBI:25845 ! pantetheines -is_a: CHEBI:37481 ! amidoalkyl phosphate +id: CHEBI:74068 +name: erucoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26078 -name: phosphoric acid -is_a: CHEBI:59698 ! phosphoric acids -relationship: has_role CHEBI:33287 ! fertilizer -relationship: has_role CHEBI:46787 ! solvent -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:74069 +name: (11Z)-eicosenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:26079 -name: phosphoric acid derivative -is_a: CHEBI:36359 ! phosphorus oxoacid derivative +id: CHEBI:74070 +name: (13Z)-3-oxodocosenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26082 -name: phosphorus molecular entity -is_a: CHEBI:33302 ! pnictogen molecular entity -relationship: has_part CHEBI:28659 ! phosphorus atom +id: CHEBI:74071 +name: (15Z)-3-oxotetracosenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26092 -name: phthalate -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:74081 +name: 1-archaetidyl-1D-myo-inositol 3-phosphate +is_a: CHEBI:35771 ! glycerophosphoinositol phosphate +is_a: CHEBI:64611 ! ether lipid [Term] -id: CHEBI:26094 -name: benzenedicarboxylic acid -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:74083 +name: (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26106 -name: phylloquinones -is_a: CHEBI:26127 ! phytylnaphthoquinone -is_a: CHEBI:26255 ! prenylquinone +id: CHEBI:74084 +name: (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26115 -name: phytoalexin -is_a: CHEBI:38231 ! phytotoxin +id: CHEBI:74086 +name: (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26116 -name: phytochromobilin -is_a: CHEBI:22869 ! bilins -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:82632 ! phytochrome chromophore +id: CHEBI:74087 +name: (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26119 -name: phytoene -is_a: CHEBI:35162 ! acyclic carotene +id: CHEBI:74094 +name: 3-O-phospho-[2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->]n-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol +is_a: CHEBI:74095 ! polyprenyl phospho polysaccharide [Term] -id: CHEBI:26124 -name: phytosteroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:74095 +name: polyprenyl phospho polysaccharide +is_a: CHEBI:26187 ! polyprenyl phospho carbohydrate +is_a: CHEBI:37639 ! polysaccharide phosphate [Term] -id: CHEBI:26125 -name: phytosterols -is_a: CHEBI:15889 ! sterol -is_a: CHEBI:26124 ! phytosteroid +id: CHEBI:74097 +name: 3-O-methylphospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol +is_a: CHEBI:74095 ! polyprenyl phospho polysaccharide [Term] -id: CHEBI:26127 -name: phytylnaphthoquinone -is_a: CHEBI:25481 ! naphthoquinone +id: CHEBI:74098 +name: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol +is_a: CHEBI:74095 ! polyprenyl phospho polysaccharide [Term] -id: CHEBI:26130 -name: biological pigment -is_a: CHEBI:52208 ! biophysical role +id: CHEBI:74100 +name: N-[(9Z)-octadecenoyl]sphinganine +is_a: CHEBI:136448 ! Cer(d18:0/18:1) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:26144 -name: piperazines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:74105 +name: aldono-1,5-lactone +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:22302 ! aldonolactone [Term] -id: CHEBI:26148 -name: piperidinemonocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26151 ! piperidines +id: CHEBI:74106 +name: erucoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:26151 -name: piperidines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:74109 +name: (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:26155 -name: plant growth regulator -is_a: CHEBI:39317 ! growth regulator +id: CHEBI:74114 +name: (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:26167 -name: polar amino acid -is_a: CHEBI:33709 ! amino acid +id: CHEBI:74115 +name: 2-hydroxypalmitoyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:26172 -name: poly(ribitol phosphate)s -is_a: CHEBI:26554 ! ribitol phosphate +id: CHEBI:74116 +name: 2-hydroxystearoyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:26174 -name: poly(N-acetyllactosamine) -is_a: CHEBI:22506 ! aminoglycan -relationship: has_role CHEBI:52214 ! ligand -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74117 +name: 2-hydroxybehenoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26177 -name: polyene antibiotic -is_a: CHEBI:33822 ! organic hydroxy compound -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:74118 +name: 2-hydroxytetracosanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26178 -name: polyester macromolecule -is_a: CHEBI:33839 ! macromolecule -is_a: CHEBI:35701 ! ester +id: CHEBI:74119 +name: (3S)-3-methyl-2-oxo-3-phenylpropanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:26179 -name: polyether antibiotic -is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic +id: CHEBI:74120 +name: Gly-Met +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:26185 -name: polyprenyl glycosyl phosphate -is_a: CHEBI:26187 ! polyprenyl phospho carbohydrate +id: CHEBI:74122 +name: (3S)-3-methyl-2-oxo-3-phenylpropanoic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid [Term] -id: CHEBI:26186 -name: polyprenyl phospho oligosaccharide -is_a: CHEBI:16916 ! oligosaccharide phosphate -is_a: CHEBI:26187 ! polyprenyl phospho carbohydrate +id: CHEBI:74126 +name: (11Z)-eicosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:52831 ! Delta(11)-fatty acyl-CoA [Term] -id: CHEBI:26187 -name: polyprenyl phospho carbohydrate -is_a: CHEBI:16460 ! polyprenol phosphate -is_a: CHEBI:24397 ! glycophospholipid -is_a: CHEBI:26816 ! carbohydrate phosphate +id: CHEBI:74127 +name: (13Z)-3-oxodocosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:26188 -name: polyketide -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:74128 +name: (15Z)-tetracosenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:74146 ! C24:1-CoA(4-) [Term] -id: CHEBI:26191 -name: polyol -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:74130 +name: N-[(15Z)-tetracosenoyl]sphinganine +is_a: CHEBI:74160 ! C24:1-sphinganine +is_a: CHEBI:85777 ! Cer(d42:1) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:26195 -name: polyphenol -is_a: CHEBI:33853 ! phenols +id: CHEBI:74132 +name: N-[(17Z)-hexacosenoyl]sphinganine +is_a: CHEBI:74162 ! C26:1-sphinganine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:26196 -name: polyphenylpropanoid -is_a: CHEBI:26004 ! phenylpropanoid +id: CHEBI:74133 +name: (15Z)-3-oxotetracosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26199 -name: polyprenol -is_a: CHEBI:26244 ! prenols +id: CHEBI:74134 +name: (17Z)-hexacosenoyl-CoA(4-) +is_a: CHEBI:74161 ! C26:1-CoA(4-) [Term] -id: CHEBI:26207 -name: polyterpenoid -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:74137 +name: 2-hydroxyhexadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:26208 -name: polyunsaturated fatty acid -is_a: CHEBI:27208 ! unsaturated fatty acid +id: CHEBI:74138 +name: 2-hydroxystearoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:26214 -name: porphyrins -is_a: CHEBI:36309 ! cyclic tetrapyrrole -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:74140 +name: 2-hydroxytetracosanoyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26216 -name: potassium atom -is_a: CHEBI:22314 ! alkali metal atom -relationship: has_role CHEBI:33937 ! macronutrient -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:74141 +name: montanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26217 -name: potassium molecular entity -is_a: CHEBI:33296 ! alkali metal molecular entity -relationship: has_part CHEBI:26216 ! potassium atom +id: CHEBI:74142 +name: (15Z)-tetracosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26244 -name: prenols -is_a: CHEBI:24913 ! isoprenoid -is_a: CHEBI:30879 ! alcohol +id: CHEBI:74143 +name: dTDP-6-deoxy-alpha-D-allose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:26248 -name: prenyl group -is_a: CHEBI:26249 ! prenyl groups -is_a: CHEBI:37614 ! alkenyl group +id: CHEBI:74146 +name: C24:1-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26249 -name: prenyl groups -is_a: CHEBI:33248 ! hydrocarbyl group +id: CHEBI:74148 +name: 2-hydroxybehenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:26250 -name: prenol phosphate -is_a: CHEBI:37841 ! isoprenoid phosphate +id: CHEBI:74149 +name: (17Z)-hexacosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26254 -name: prenylnaphthoquinone -is_a: CHEBI:25481 ! naphthoquinone -is_a: CHEBI:26255 ! prenylquinone +id: CHEBI:74150 +name: montanoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26255 -name: prenylquinone -is_a: CHEBI:25830 ! p-quinones +id: CHEBI:74151 +name: S-palmitoyl-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:26267 -name: proanthocyanidin -is_a: CHEBI:26848 ! tannin -is_a: CHEBI:72720 ! flavonoid oligomer +id: CHEBI:74153 +name: dTDP-5,5-di-C-methyl-beta-L-lyxose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:26271 -name: proline -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:38260 ! pyrrolidines +id: CHEBI:741548 +name: ethylmalonic acid +is_a: CHEBI:35692 ! dicarboxylic acid relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite [Term] -id: CHEBI:26273 -name: proline derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:74155 +name: 3-dimethylallyl-4-hydroxybenzoate +is_a: CHEBI:25388 ! monohydroxybenzoate [Term] -id: CHEBI:26279 -name: propan-1-ols -is_a: CHEBI:15734 ! primary alcohol +id: CHEBI:74156 +name: 3-amino-4,7-dihydroxycoumarin(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:26282 -name: propanals -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:74158 +name: O-ureido-D-serine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:26287 -name: propane-1,3-diols -is_a: CHEBI:26288 ! propanediol +id: CHEBI:74159 +name: D-cycloserine zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:26288 -name: propanediol -is_a: CHEBI:13643 ! glycol +id: CHEBI:74160 +name: C24:1-sphinganine +is_a: CHEBI:31488 ! N-acylsphinganine +is_a: CHEBI:85777 ! Cer(d42:1) [Term] -id: CHEBI:26292 -name: propanones -is_a: CHEBI:17087 ! ketone +id: CHEBI:74161 +name: C26:1-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26333 -name: prostaglandin -is_a: CHEBI:26347 ! prostanoid +id: CHEBI:74162 +name: C26:1-sphinganine +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:26337 -name: prostaglandins D -is_a: CHEBI:26333 ! prostaglandin -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:36132 ! alicyclic ketone +id: CHEBI:74164 +name: nitrocyclohexane +is_a: CHEBI:33598 ! carbocyclic compound +is_a: CHEBI:51129 ! nitrohydrocarbon [Term] -id: CHEBI:26338 -name: prostaglandins E -is_a: CHEBI:26333 ! prostaglandin -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:74165 +name: (E)-1,3-pentadiene +is_a: CHEBI:33646 ! alkadiene [Term] -id: CHEBI:2634 -name: amidine -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:74166 +name: C17 sphingosine(1+) +is_a: CHEBI:84410 ! sphingoid base(1+) [Term] -id: CHEBI:26340 -name: prostaglandins F -is_a: CHEBI:26333 ! prostaglandin +id: CHEBI:74167 +name: N-tetracosanoyl-C17-sphingosine +is_a: CHEBI:137572 ! Cer(d41:1) +is_a: CHEBI:84445 ! N-acylheptadecasphingosine [Term] -id: CHEBI:26345 -name: prostaglandins I -is_a: CHEBI:26333 ! prostaglandin -is_a: CHEBI:47783 ! cyclopentafuran +id: CHEBI:74168 +name: D-ribono-1,4-lactone +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:37434 ! ribonolactone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:26346 -name: prostaglandins J -is_a: CHEBI:26333 ! prostaglandin -is_a: CHEBI:51689 ! enone +id: CHEBI:74169 +name: L-alaninamide(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:26347 -name: prostanoid -is_a: CHEBI:23899 ! icosanoid +id: CHEBI:74185 +name: N-tetracosenoyl-C17-sphingosine +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:26348 -name: prosthetic group -is_a: CHEBI:23357 ! cofactor +id: CHEBI:74212 +name: O-ureido-D-serine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:84133 ! D-serine derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:26349 -name: proteochondroitin sulfate -is_a: CHEBI:35722 ! sulfated glycosaminoglycan -is_a: CHEBI:37396 ! proteoglycan +id: CHEBI:74213 +name: EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor +is_a: CHEBI:76848 ! EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor [Term] -id: CHEBI:26355 -name: heme b -is_a: CHEBI:30413 ! heme -is_a: CHEBI:36158 ! metalloprotoporphyrin +id: CHEBI:74214 +name: N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:26361 -name: protoporphyrins -is_a: CHEBI:26214 ! porphyrins +id: CHEBI:74215 +name: 2-hydroxytetracosenoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:26373 -name: pteridines -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:33833 ! heteroarene -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:74216 +name: N-(2-hydroxytetracosenoyl)sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine [Term] -id: CHEBI:26375 -name: pterins -is_a: CHEBI:26373 ! pteridines +id: CHEBI:74218 +name: N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol +is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate [Term] -id: CHEBI:26377 -name: pterocarpans -is_a: CHEBI:38834 ! benzofurochromene -is_a: CHEBI:72544 ! flavonoids +id: CHEBI:74220 +name: C17 sphingosine +is_a: CHEBI:22501 ! aminodiol +is_a: CHEBI:35785 ! sphingoid [Term] -id: CHEBI:26384 -name: pullulans -is_a: CHEBI:24384 ! glycogens +id: CHEBI:74222 +name: gamma-lactam +is_a: CHEBI:24995 ! lactam [Term] -id: CHEBI:26385 -name: purine alkaloid -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:26401 ! purines +id: CHEBI:74223 +name: pyrrolidin-2-ones +is_a: CHEBI:38275 ! pyrrolidinone +is_a: CHEBI:74222 ! gamma-lactam [Term] -id: CHEBI:26386 -name: purine nucleobase -is_a: CHEBI:18282 ! nucleobase -is_a: CHEBI:26401 ! purines +id: CHEBI:74224 +name: genistein(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:26387 -name: purine 2'-deoxyribonucleoside diphosphate -is_a: CHEBI:17955 ! 2'-deoxyribonucleoside diphosphate -is_a: CHEBI:26391 ! purine nucleoside diphosphate +id: CHEBI:74228 +name: 3-oxomelissoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26388 -name: purine 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:19257 ! 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:26392 ! purine nucleoside monophosphate +id: CHEBI:74229 +name: (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26389 -name: purine deoxyribonucleoside triphosphate -is_a: CHEBI:16516 ! 2'-deoxyribonucleoside triphosphate -is_a: CHEBI:26393 ! purine nucleoside triphosphate +id: CHEBI:74230 +name: (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:2639 -name: amiloride -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:33860 ! aromatic amine -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:38314 ! pyrazines -relationship: has_role CHEBI:35498 ! diuretic -relationship: has_role CHEBI:38633 ! sodium channel blocker +id: CHEBI:74231 +name: phosphatidylinositol 32:0(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:26390 -name: purine 2'-deoxyribonucleotide -is_a: CHEBI:19260 ! 2'-deoxyribonucleotide -is_a: CHEBI:26395 ! purine nucleotide +id: CHEBI:74232 +name: phosphatidylinositol 34:0(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:26391 -name: purine nucleoside diphosphate -is_a: CHEBI:16862 ! nucleoside diphosphate +id: CHEBI:74233 +name: (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26392 -name: purine nucleoside monophosphate -is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +id: CHEBI:74237 +name: phosphatidylinositol 34:1(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:26393 -name: purine nucleoside triphosphate -is_a: CHEBI:17326 ! nucleoside triphosphate +id: CHEBI:74238 +name: phosphatidylinositol 34:2(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:26394 -name: purine nucleoside -is_a: CHEBI:26401 ! purines -is_a: CHEBI:33838 ! nucleoside +id: CHEBI:74240 +name: phosphatidylinositol 38:4(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:26395 -name: purine nucleotide -is_a: CHEBI:26401 ! purines -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:74243 +name: 1-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64771 ! 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74465 ! lysophosphatidylinositol 18:0(1-) [Term] -id: CHEBI:26396 -name: purine ribonucleoside diphosphate -is_a: CHEBI:17668 ! ribonucleoside diphosphate -is_a: CHEBI:26391 ! purine nucleoside diphosphate +id: CHEBI:74245 +name: 1-octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:65055 ! 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) [Term] -id: CHEBI:26397 -name: purine ribonucleoside monophosphate -is_a: CHEBI:26392 ! purine nucleoside monophosphate -is_a: CHEBI:26558 ! ribonucleoside monophosphate +id: CHEBI:74246 +name: (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26398 -name: purine ribonucleoside triphosphate -is_a: CHEBI:17972 ! ribonucleoside triphosphate -is_a: CHEBI:26393 ! purine nucleoside triphosphate +id: CHEBI:74247 +name: (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26399 -name: purine ribonucleoside -is_a: CHEBI:18254 ! ribonucleoside -is_a: CHEBI:26394 ! purine nucleoside +id: CHEBI:74249 +name: (19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26400 -name: purine ribonucleotide -is_a: CHEBI:26395 ! purine nucleotide -is_a: CHEBI:26561 ! ribonucleotide +id: CHEBI:74252 +name: rhizobactin 1021 +is_a: CHEBI:24650 ! hydroxamic acid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:26672 ! siderophore [Term] -id: CHEBI:26401 -name: purines -is_a: CHEBI:35875 ! imidazopyrimidine +id: CHEBI:74254 +name: (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26404 -name: puromycins -is_a: CHEBI:22260 ! adenosines -relationship: has_role CHEBI:25605 ! nucleoside antibiotic +id: CHEBI:74257 +name: FMN-L-threonine(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26406 -name: N-substituted putrescine -is_a: CHEBI:50441 ! N-substituted diamine +id: CHEBI:74259 +name: (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26407 -name: pyrans -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:74260 +name: (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26416 -name: pyridine alkaloid -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:26421 ! pyridines +id: CHEBI:74261 +name: (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26420 -name: pyridinemonocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:33859 ! aromatic carboxylic acid +id: CHEBI:74262 +name: (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26421 -name: pyridines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:74263 +name: (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26432 -name: pyrimidine nucleobase -is_a: CHEBI:18282 ! nucleobase -is_a: CHEBI:39447 ! pyrimidines +id: CHEBI:74264 +name: (8Z,11Z,14Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:26433 -name: pyrimidine 2'-deoxyribonucleoside diphosphate -is_a: CHEBI:17955 ! 2'-deoxyribonucleoside diphosphate -is_a: CHEBI:26437 ! pyrimidine nucleoside diphosphate +id: CHEBI:74265 +name: (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:26434 -name: pyrimidine 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:19257 ! 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:26438 ! pyrimidine nucleoside monophosphate +id: CHEBI:74266 +name: N-acylurea +is_a: CHEBI:47857 ! ureas [Term] -id: CHEBI:26435 -name: pyrimidine deoxyribonucleoside triphosphate -is_a: CHEBI:16516 ! 2'-deoxyribonucleoside triphosphate -is_a: CHEBI:26439 ! pyrimidine nucleoside triphosphate +id: CHEBI:74267 +name: N(1)-methylguanosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:26436 -name: pyrimidine 2'-deoxyribonucleotide -is_a: CHEBI:19260 ! 2'-deoxyribonucleotide -is_a: CHEBI:26441 ! pyrimidine nucleotide +id: CHEBI:74268 +name: N(1)-methylguanosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:26437 -name: pyrimidine nucleoside diphosphate -is_a: CHEBI:16862 ! nucleoside diphosphate +id: CHEBI:74269 +name: guanosine 5'-monophosphate(1-) residue +is_a: CHEBI:90675 ! ribonucleotide residue(1-) [Term] -id: CHEBI:26438 -name: pyrimidine nucleoside monophosphate -is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +id: CHEBI:74271 +name: 4-demethylwyosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:26439 -name: pyrimidine nucleoside triphosphate -is_a: CHEBI:17326 ! nucleoside triphosphate +id: CHEBI:74272 +name: (R)-3-hydroxydecanoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:86041 ! 3-hydroxydecanoyl-CoA(4-) [Term] -id: CHEBI:26440 -name: pyrimidine nucleoside -is_a: CHEBI:33838 ! nucleoside -is_a: CHEBI:39447 ! pyrimidines +id: CHEBI:74273 +name: 4-demethylwyosine 5'-monophosphate +is_a: CHEBI:26561 ! ribonucleotide [Term] -id: CHEBI:26441 -name: pyrimidine nucleotide -is_a: CHEBI:36976 ! nucleotide -is_a: CHEBI:39447 ! pyrimidines +id: CHEBI:74275 +name: 7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5'-phosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:26442 -name: pyrimidine ribonucleoside diphosphate -is_a: CHEBI:17668 ! ribonucleoside diphosphate -is_a: CHEBI:26437 ! pyrimidine nucleoside diphosphate +id: CHEBI:74276 +name: (R)-3-hydroxylauroyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:26443 -name: pyrimidine ribonucleoside monophosphate -is_a: CHEBI:26438 ! pyrimidine nucleoside monophosphate -is_a: CHEBI:26558 ! ribonucleoside monophosphate +id: CHEBI:74278 +name: (R)-3-hydroxypalmitoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26444 -name: pyrimidine ribonucleoside triphosphate -is_a: CHEBI:17972 ! ribonucleoside triphosphate -is_a: CHEBI:26439 ! pyrimidine nucleoside triphosphate +id: CHEBI:74279 +name: (R)-3-hydroxyoctanoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:86040 ! 3-hydroxyoctanoyl-CoA(4-) [Term] -id: CHEBI:26446 -name: pyrimidine ribonucleotide -is_a: CHEBI:26441 ! pyrimidine nucleotide -is_a: CHEBI:26561 ! ribonucleotide +id: CHEBI:74280 +name: (R)-3-hydroxyhexanoyl-CoA(4-) +is_a: CHEBI:138609 ! short-chain (R)-3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:26447 -name: pyrimidinemonocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:78574 ! pyrimidinecarboxylic acid +id: CHEBI:74281 +name: trans-2-hexacosenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26456 -name: pyrrolidine alkaloid -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:38260 ! pyrrolidines +id: CHEBI:74282 +name: (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26461 -name: pyrroloquinoline cofactor -is_a: CHEBI:50918 ! pyrroloquinoline -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:74283 +name: (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26463 -name: pyruvate family amino acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid +id: CHEBI:74285 +name: (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26469 -name: quaternary nitrogen compound -is_a: CHEBI:35352 ! organonitrogen compound -relationship: has_part CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:74286 +name: (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26490 -name: quinate -is_a: CHEBI:36125 ! cyclitol carboxylic acid anion +id: CHEBI:74287 +name: (15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26493 -name: quinic acid -is_a: CHEBI:36123 ! cyclitol carboxylic acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74288 +name: (17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26507 -name: dihydroxyquinoline -is_a: CHEBI:38774 ! hydroxyquinoline +id: CHEBI:74289 +name: (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26508 -name: quinoline N-oxide -is_a: CHEBI:26513 ! quinolines -is_a: CHEBI:35580 ! N-oxide +id: CHEBI:74290 +name: (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26509 -name: quinoline alkaloid -is_a: CHEBI:22315 ! alkaloid +id: CHEBI:74291 +name: (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:2651 -name: alpha-aminoacyl-tRNA -is_a: CHEBI:33697 ! ribonucleic acid +id: CHEBI:74292 +name: (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26512 -name: quinolinemonocarboxylic acid -is_a: CHEBI:26513 ! quinolines -is_a: CHEBI:33859 ! aromatic carboxylic acid +id: CHEBI:74293 +name: (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26513 -name: quinolines -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:74294 +name: (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26519 -name: radical -is_a: CHEBI:23367 ! molecular entity +id: CHEBI:74296 +name: (11E)-octadecenoyl-CoA(4-) +is_a: CHEBI:139567 ! octadecenoyl-CoA(4-) +is_a: CHEBI:84949 ! (11E)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:26523 -name: reactive oxygen species -is_a: CHEBI:25806 ! oxygen molecular entity +id: CHEBI:74297 +name: (9Z,11E)-octadecadienoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) +is_a: CHEBI:84949 ! (11E)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:26533 -name: reticuline -is_a: CHEBI:22750 ! benzylisoquinoline alkaloid -is_a: CHEBI:24923 ! isoquinolinol -is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74298 +name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26534 -name: retinals -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:26537 ! retinoid +id: CHEBI:74299 +name: geranyllinalool +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:59647 ! EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor [Term] -id: CHEBI:26536 -name: retinoic acid -is_a: CHEBI:26537 ! retinoid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74300 +name: wybutosine 5'-monophosphate +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26561 ! ribonucleotide +is_a: CHEBI:26979 ! organic heterotricyclic compound [Term] -id: CHEBI:26537 -name: retinoid -is_a: CHEBI:23849 ! diterpenoid +id: CHEBI:74301 +name: wybutosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:26543 -name: rhamnogalacturonan -is_a: CHEBI:24174 ! galacturonan +id: CHEBI:74304 +name: (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26544 -name: rhamnonate -is_a: CHEBI:33865 ! rhamnonates +id: CHEBI:74305 +name: (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26546 -name: rhamnose -is_a: CHEBI:33983 ! deoxymannose -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74306 +name: (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26547 -name: rhamnoside -is_a: CHEBI:35315 ! deoxy hexoside +id: CHEBI:74307 +name: heptadecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:26554 -name: ribitol phosphate -is_a: CHEBI:25898 ! pentitol phosphate +id: CHEBI:74308 +name: (9Z)-heptadecenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26556 -name: 1-ribosylimidazolecarboxamide -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:37293 ! 1-ribosylimidazole +id: CHEBI:74309 +name: pentadecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) + +[Term] +id: CHEBI:74310 +name: (9Z)-pentadecenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26558 -name: ribonucleoside monophosphate -is_a: CHEBI:17188 ! nucleoside 5'-monophosphate +id: CHEBI:74311 +name: (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26561 -name: ribonucleotide -is_a: CHEBI:26562 ! ribose phosphate -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:74312 +name: (10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26562 -name: ribose phosphate -is_a: CHEBI:25900 ! aldopentose phosphate +id: CHEBI:74313 +name: (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26588 -name: 1,3,5-triazines -is_a: CHEBI:38102 ! triazines +id: CHEBI:74315 +name: (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26596 -name: salicylates -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:74316 +name: (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26605 -name: saponin -is_a: CHEBI:24400 ! glycoside -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:74317 +name: (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26606 -name: sapogenin -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:74318 +name: (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26607 -name: saturated fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:74319 +name: (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26619 -is_obsolete: true +id: CHEBI:74320 +name: (18Z,21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26628 -name: selenium molecular entity -is_a: CHEBI:33304 ! chalcogen molecular entity -relationship: has_part CHEBI:27568 ! selenium atom +id: CHEBI:74322 +name: 4,8,12-trimethyltrideca 1,3,7,11-tetraene +is_a: CHEBI:35189 ! sesquiterpene +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:26629 -name: selenoamino acid -is_a: CHEBI:25712 ! organoselenium compound +id: CHEBI:74324 +name: L-glyceric acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:33508 ! glyceric acid [Term] -id: CHEBI:26642 -name: selenous acid -is_a: CHEBI:33489 ! selenium oxoacid +id: CHEBI:74328 +name: (11Z,14Z,17Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:26643 -name: aldehydic acid -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:74329 +name: (13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:26645 -name: semiochemical -is_a: CHEBI:33280 ! molecular messenger +id: CHEBI:74334 +name: (10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:26649 -name: serine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:74335 +name: 1-acyl-2-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:26650 -name: serine family amino acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid +id: CHEBI:74337 +name: D-asparagine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion [Term] -id: CHEBI:26658 -name: sesquiterpenoid -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:74338 +name: D-valine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion [Term] -id: CHEBI:26666 -name: short-chain fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:74339 +name: (6Z)-hexadecenoyl-CoA(4-) +is_a: CHEBI:139572 ! hexadecenoyl-CoA(4-) [Term] -id: CHEBI:26667 -name: sialic acid -is_a: CHEBI:25508 ! neuraminic acids +id: CHEBI:74340 +name: 1-heptadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:72737 ! lysophosphatidylcholine 17:0 [Term] -id: CHEBI:26672 -name: siderophore -is_a: CHEBI:23357 ! cofactor -is_a: CHEBI:24028 ! iron(3+) chelator -is_a: CHEBI:24874 ! iron ionophore +id: CHEBI:74344 +name: 1-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:91310 ! lysophosphatidylcholine(20:4/0:0) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:26673 -name: organosilanediol -is_a: CHEBI:25713 ! organosilicon compound -is_a: CHEBI:46890 ! silicon hydroxide +id: CHEBI:74345 +name: 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:55370 ! imidazolidinone [Term] -id: CHEBI:26675 -name: silicic acid -is_a: CHEBI:33328 ! silicon oxoacid +id: CHEBI:74346 +name: FMN-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:26677 -name: silicon molecular entity -is_a: CHEBI:33582 ! carbon group molecular entity -relationship: has_part CHEBI:27573 ! silicon atom +id: CHEBI:74347 +name: FMN-L-threonine +is_a: CHEBI:24041 ! flavin mononucleotide +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84189 ! L-threonine derivative [Term] -id: CHEBI:26689 -name: singlet dioxygen -is_a: CHEBI:15379 ! dioxygen -is_a: CHEBI:26523 ! reactive oxygen species +id: CHEBI:74351 +name: aclacinomycin T +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:26706 -name: sn-glycerol 3-phosphates -is_a: CHEBI:26707 ! glycerol phosphate +id: CHEBI:74353 +name: aclacinomycin A(1+) +is_a: CHEBI:64678 ! anthracycline cation [Term] -id: CHEBI:26707 -name: glycerol phosphate -is_a: CHEBI:22297 ! alditol phosphate +id: CHEBI:74354 +name: 15-demethylaclacinomycin T zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:26708 -name: sodium atom -is_a: CHEBI:22314 ! alkali metal atom -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:74355 +name: 3-oxomelissoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26712 -name: sodium molecular entity -is_a: CHEBI:33296 ! alkali metal molecular entity -relationship: has_part CHEBI:26708 ! sodium atom +id: CHEBI:74358 +name: (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26714 -name: sodium salt -is_a: CHEBI:26712 ! sodium molecular entity -is_a: CHEBI:35479 ! alkali metal salt -relationship: has_part CHEBI:29101 ! sodium(1+) +id: CHEBI:74359 +name: L-alpha-aminobutyrate zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:26738 -name: sphingenine -is_a: CHEBI:46963 ! 2-aminooctadecene-1,3-diol +id: CHEBI:74360 +name: (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26739 -name: sphingolipid -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:74361 +name: 5-oxo-delta-bilirubin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion [Term] -id: CHEBI:26743 -name: sphing-4-enine -is_a: CHEBI:26738 ! sphingenine -is_a: CHEBI:46964 ! 2-aminooctadec-4-ene-1,3-diol +id: CHEBI:74362 +name: 15-oxo-beta-bilirubin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion [Term] -id: CHEBI:26745 -name: spirostan -is_a: CHEBI:35508 ! steroid fundamental parent -is_a: CHEBI:37948 ! oxaspiro compound +id: CHEBI:74363 +name: Ala-Asp(1-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:26759 -name: sterigmatocystins -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38164 ! organic heteropentacyclic compound -is_a: CHEBI:38180 ! polycyclic heteroarene -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:74364 +name: phosphatidylinositol 28:0(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:26764 -name: steroid hormone -is_a: CHEBI:35341 ! steroid -relationship: has_role CHEBI:24621 ! hormone +id: CHEBI:74387 +name: Ala-Gln zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:26775 -name: stilbene -is_a: CHEBI:26776 ! stilbenoid -is_a: CHEBI:33645 ! acyclic olefin +id: CHEBI:74388 +name: Ala-His zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:26776 -name: stilbenoid -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:74389 +name: Ala-Leu zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:26788 -name: streptomycins -is_a: CHEBI:22479 ! amino cyclitol glycoside -is_a: CHEBI:22507 ! aminoglycoside antibiotic +id: CHEBI:74390 +name: Ala-Thr zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:2679 -name: amphetamine -is_a: CHEBI:35338 ! amphetamines -is_a: CHEBI:60911 ! racemate -relationship: has_part CHEBI:42724 ! (R)-amphetamine -relationship: has_part CHEBI:4469 ! (S)-amphetamine -relationship: has_role CHEBI:35523 ! bronchodilator agent -relationship: has_role CHEBI:35524 ! sympathomimetic agent -relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:37962 ! adrenergic agent -relationship: has_role CHEBI:48560 ! dopaminergic agent -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:74391 +name: Gly-Asn zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:26799 -name: styrenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:74392 +name: Gly-Gln zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:26806 -name: succinate -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:74393 +name: Gly-Met zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:26816 -name: carbohydrate phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:74394 +name: Met-Ala zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:26819 -name: sulfuric ester -is_a: CHEBI:35701 ! ester -is_a: CHEBI:37826 ! sulfuric acid derivative +id: CHEBI:74395 +name: (11E)-octadecenoyl-CoA +is_a: CHEBI:139574 ! octadecenoyl-CoA [Term] -id: CHEBI:26820 -name: sulfates -is_a: CHEBI:37826 ! sulfuric acid derivative +id: CHEBI:74396 +name: (9Z,11E)-octadecadienoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA [Term] -id: CHEBI:26822 -name: sulfide -is_a: CHEBI:26835 ! sulfur molecular entity +id: CHEBI:74397 +name: heptadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:26825 -name: sulfobenzoic acid -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:33555 ! arenesulfonic acid +id: CHEBI:74398 +name: (9Z)-heptadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:26830 -name: sulfonium compound -is_a: CHEBI:26835 ! sulfur molecular entity +id: CHEBI:74399 +name: (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26831 -name: N,N''-sulfonyldiurea -is_a: CHEBI:38038 ! sulfuric amide -is_a: CHEBI:47857 ! ureas -relationship: has_role CHEBI:22180 ! EC 2.2.1.6 (acetolactate synthase) inhibitor +id: CHEBI:74400 +name: (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26833 -name: sulfur atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33303 ! chalcogen -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:74401 +name: (19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26834 -name: sulfur-containing amino acid -is_a: CHEBI:33576 ! sulfur-containing carboxylic acid -is_a: CHEBI:33709 ! amino acid +id: CHEBI:74402 +name: (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26835 -name: sulfur molecular entity -is_a: CHEBI:33304 ! chalcogen molecular entity -relationship: has_part CHEBI:26833 ! sulfur atom +id: CHEBI:74405 +name: (R)-3-hydroxydecanoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:86338 ! 3-hydroxydecanoyl-CoA [Term] -id: CHEBI:26836 -name: sulfuric acid -is_a: CHEBI:33402 ! sulfur oxoacid -relationship: has_role CHEBI:35223 ! catalyst +id: CHEBI:74406 +name: 3-vinylbacteriochlorophyllide a(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:26841 -name: synthetic auxin -is_a: CHEBI:22676 ! auxin -is_a: CHEBI:35703 ! xenobiotic +id: CHEBI:74408 +name: 3-dimethylallyl-4-hydroxyphenylpyruvate(1-) +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:26847 -name: altraric acid -is_a: CHEBI:24577 ! hexaric acid +id: CHEBI:74409 +name: (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26848 -name: tannin -is_a: CHEBI:26195 ! polyphenol -relationship: has_role CHEBI:74783 ! astringent +id: CHEBI:74411 +name: adenosine 5'-monophosphate(1-) residue +is_a: CHEBI:90675 ! ribonucleotide residue(1-) [Term] -id: CHEBI:26849 -name: tartaric acid -is_a: CHEBI:15674 ! 2,3-dihydroxybutanedioic acid +id: CHEBI:74413 +name: (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26872 -name: terpene ketone -is_a: CHEBI:17087 ! ketone -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:74414 +name: 3-ureidoisobutyrate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:26873 -name: terpenoid -is_a: CHEBI:24913 ! isoprenoid +id: CHEBI:74415 +name: N(6)-dimethylallyladenine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26875 -name: terpenyl phosphate -is_a: CHEBI:26873 ! terpenoid -is_a: CHEBI:37841 ! isoprenoid phosphate +id: CHEBI:74416 +name: 2-thio-N(6)-dimethylallyladenine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26878 -name: tertiary alcohol -is_a: CHEBI:30879 ! alcohol +id: CHEBI:74417 +name: 2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26893 -name: tetracyclic triterpenoid -is_a: CHEBI:36615 ! triterpenoid -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:74418 +name: N(6)-L-threonylcarbamoyladenine 5'-monophosphate(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26895 -name: tetracyclines -is_a: CHEBI:26188 ! polyketide -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:74419 +name: 2-thio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26901 -name: benzyltetrahydroisoquinoline -is_a: CHEBI:24922 ! isoquinolines +id: CHEBI:74420 +name: 2-methylthio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26904 -name: tetrahydrocorphin -is_a: CHEBI:25519 ! nickel tetrapyrrole -is_a: CHEBI:36311 ! corphinoid +id: CHEBI:74422 +name: 4'-demethylepipodophyllotoxin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:50307 ! furonaphthodioxole +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:26907 -name: tetrahydrofolic acid -is_a: CHEBI:37445 ! folic acids +id: CHEBI:74424 +name: (10Z,13Z,16Z,19Z)-docosatetraenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:26908 -name: tetrahydrofolyl glutamate -is_a: CHEBI:24317 ! L-glutamine derivative -is_a: CHEBI:37445 ! folic acids +id: CHEBI:74426 +name: (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:26911 -name: oxolane -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:26912 ! oxolanes -is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent -is_a: CHEBI:37407 ! cyclic ether -relationship: has_role CHEBI:48358 ! polar aprotic solvent +id: CHEBI:74427 +name: (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:26912 -name: oxolanes -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:74428 +name: (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26914 -name: tetrahydromethanopterin -is_a: CHEBI:37669 ! methanopterins +id: CHEBI:74429 +name: 7-methylguanosine 5'-triphosphate(2-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26932 -name: tetrapyrrole -is_a: CHEBI:33833 ! heteroarene -is_a: CHEBI:38077 ! polypyrrole +id: CHEBI:74431 +name: (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26933 -name: tetraric acid -is_a: CHEBI:22290 ! aldaric acid -is_a: CHEBI:66873 ! C4-dicarboxylic acid +id: CHEBI:74432 +name: N(2),N(2),N(7)-trimethylguanosine 5'-triphosphate(2-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26935 -name: tetraterpenoid -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:74434 +name: N(2),N(2),N(7)-trimethylguanosine 5'-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:26937 -name: monoatomic tetracation -is_a: CHEBI:25430 ! monoatomic polycation +id: CHEBI:74436 +name: (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26938 -name: tetrose -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:74442 +name: (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:26945 -name: thiamine phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester -is_a: CHEBI:38338 ! aminopyrimidine +id: CHEBI:74443 +name: 5,6-dihydrouridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26948 -name: thiamine -is_a: CHEBI:38338 ! aminopyrimidine -is_a: CHEBI:38418 ! 1,3-thiazoles -relationship: has_role CHEBI:75769 ! B vitamin +id: CHEBI:74444 +name: 7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5'-phosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:26959 -name: thiocarboxylic ester -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:35701 ! ester +id: CHEBI:74445 +name: 2'-O-methylguanosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26961 -name: thiophenes -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:74446 +name: 7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5'-phosphate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate [Term] -id: CHEBI:26965 -name: thioglycines -is_a: CHEBI:24373 ! glycine derivative +id: CHEBI:74447 +name: 5-methyluridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26977 -name: thiosulfate -is_a: CHEBI:37827 ! thiosulfuric acid derivative +id: CHEBI:74449 +name: N(6)-methyladenosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:26979 -name: organic heterotricyclic compound -is_a: CHEBI:36688 ! heterotricyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound -is_a: CHEBI:51959 ! organic tricyclic compound +id: CHEBI:74450 +name: N-(15Z)-tetracosenoylsphingosine +is_a: CHEBI:74457 ! N-tetracosenoylsphingosine +is_a: CHEBI:85812 ! Cer(d42:2) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:26986 -name: threonine -is_a: CHEBI:38263 ! 2-amino-3-hydroxybutanoic acid -relationship: has_part CHEBI:50341 ! 1-hydroxyethyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:74451 +name: (R)-3-hydroxylauroyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:26987 -name: threonine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:74452 +name: NMNH +is_a: CHEBI:50383 ! nicotinamide mononucleotide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:26995 -name: thromboxane -is_a: CHEBI:26347 ! prostanoid +id: CHEBI:74454 +name: 5-aminomethyl-2-thiouridine 5'-monophosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:27001 -name: thymidine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:74455 +name: 5-methylaminomethyl-2-thiouridine 5'-monophosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:27007 -name: tin atom -is_a: CHEBI:33306 ! carbon group element atom -is_a: CHEBI:33521 ! metal atom -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74457 +name: N-tetracosenoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine +is_a: CHEBI:85812 ! Cer(d42:2) [Term] -id: CHEBI:27008 -name: tin molecular entity -is_a: CHEBI:33582 ! carbon group molecular entity -relationship: has_part CHEBI:27007 ! tin atom +id: CHEBI:74459 +name: (R)-3-hydroxypalmitoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:27021 -name: toluate -is_a: CHEBI:22718 ! benzoates +id: CHEBI:74463 +name: lysophosphatidylinositol 16:0(1-) +is_a: CHEBI:68498 ! lysophosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:27023 -name: toluene-4-sulfonate -is_a: CHEBI:22713 ! arenesulfonate oxoanion +id: CHEBI:74465 +name: lysophosphatidylinositol 18:0(1-) +is_a: CHEBI:68498 ! lysophosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:27024 -name: toluenes -is_a: CHEBI:22712 ! benzenes +id: CHEBI:74466 +name: lysophosphatidylinositol 18:1(1-) +is_a: CHEBI:68498 ! lysophosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:27026 -name: toxin -is_a: CHEBI:25212 ! metabolite -is_a: CHEBI:64909 ! poison +id: CHEBI:74474 +name: (R)-3-hydroxyhexanoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:27027 -name: micronutrient -is_a: CHEBI:33284 ! nutrient +id: CHEBI:74476 +name: (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27066 -name: (9R,10R)-9,10-dihydrophenanthrene-9,10-diol -is_a: CHEBI:37470 ! trans-9,10-dihydrophenanthrene-9,10-diol +id: CHEBI:74477 +name: 2'-O-methyladenosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27081 -name: transition element atom -is_a: CHEBI:33521 ! metal atom +id: CHEBI:74478 +name: 2'-O-methyluridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27082 -name: trehalose -is_a: CHEBI:131401 ! hexopyranosyl hexopyranoside +id: CHEBI:74480 +name: N(7)-methylguanosine 5'-phosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:27084 -name: trehalose phosphate -is_a: CHEBI:23843 ! disaccharide phosphate +id: CHEBI:74481 +name: N(2)-methylguanosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27086 -name: tributylstannane -is_a: CHEBI:25717 ! organotin compound +id: CHEBI:74483 +name: 5-methylcytidine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27092 -name: tricarboxylic acid trianion -is_a: CHEBI:35753 ! tricarboxylic acid anion -is_a: CHEBI:38717 ! carboxylic acid trianion +id: CHEBI:74485 +name: (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27093 -name: tricarboxylic acid -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:74486 +name: N(3)-methylpseudouridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27096 -name: trichlorobenzene -is_a: CHEBI:23132 ! chlorobenzenes +id: CHEBI:74489 +name: (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:27115 -name: trihydroxybenzoic acid -is_a: CHEBI:24676 ! hydroxybenzoic acid +id: CHEBI:74491 +name: N(1)-methyladenosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27116 -name: trihydroxyflavone -is_a: CHEBI:24698 ! hydroxyflavone +id: CHEBI:74493 +name: N(6),N(6)-dimethyladenosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27134 -name: trimethylxanthine -is_a: CHEBI:25348 ! methylxanthine +id: CHEBI:74495 +name: 2'-O-methylcytidine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27135 -name: trinitrotoluene -is_a: CHEBI:25566 ! nitrotoluene +id: CHEBI:74496 +name: (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27136 -name: triol -is_a: CHEBI:26191 ! polyol +id: CHEBI:74497 +name: 2-methyladenosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27137 -name: triose -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:74499 +name: (15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27150 -name: trisaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:74502 +name: N(3)-methyluridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27153 -name: monoatomic trication -is_a: CHEBI:25430 ! monoatomic polycation -is_a: CHEBI:64712 ! trivalent inorganic cation +id: CHEBI:74503 +name: Ins-1-P-Cer-A(1-) +is_a: CHEBI:139052 ! inositol-1-phosphodihydroceramide(1-) [Term] -id: CHEBI:27162 -name: tryptamines -is_a: CHEBI:24828 ! indoles +id: CHEBI:74504 +name: (17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27171 -name: organic heterobicyclic compound -is_a: CHEBI:33672 ! heterobicyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:74505 +name: Ins-1-P-Cer-A +is_a: CHEBI:60245 ! inositol phosphoceramide [Term] -id: CHEBI:27175 -name: tyramines -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:64365 ! aralkylamino compound +id: CHEBI:74506 +name: N(4)-methylcytidine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27177 -name: L-tyrosine derivative -is_a: CHEBI:62761 ! tyrosine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative -is_a: CHEBI:84144 ! L-phenylalanine derivative +id: CHEBI:74508 +name: 5-carboxymethylaminomethyluridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27191 -name: undecaprenols -is_a: CHEBI:26199 ! polyprenol +id: CHEBI:74511 +name: 5-carboxymethylaminomethyl-2'-O-methyluridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27207 -name: univalent carboacyl group -is_a: CHEBI:37838 ! carboacyl group +id: CHEBI:74512 +name: (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27208 -name: unsaturated fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:74513 +name: N(2),N(2)-dimethylguanosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27216 -name: urate(2-) -is_a: CHEBI:25810 ! oxopurine -is_a: CHEBI:46818 ! urate anion +id: CHEBI:74515 +name: (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27226 -name: uric acid -is_a: CHEBI:25810 ! oxopurine -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74518 +name: anti-obesity agent +is_a: CHEBI:52210 ! pharmacological role [Term] -id: CHEBI:27232 -name: uridine 5'-phosphate -is_a: CHEBI:27237 ! uridine phosphate +id: CHEBI:74519 +name: (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27237 -name: uridine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate -is_a: CHEBI:27242 ! uridines +id: CHEBI:74522 +name: (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27242 -name: uridines -is_a: CHEBI:39446 ! pyrimidine ribonucleosides +id: CHEBI:74525 +name: (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27252 -name: uronic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33720 ! carbohydrate acid -is_a: CHEBI:35381 ! monosaccharide +id: CHEBI:74529 +name: antidote to paracetamol poisoning +is_a: CHEBI:50247 ! antidote [Term] -id: CHEBI:27258 -name: uroporphyrinogen -is_a: CHEBI:36321 ! porphyrinogens -is_a: CHEBI:51705 ! octacarboxylic acid +id: CHEBI:74530 +name: antidote to curare poisoning +is_a: CHEBI:50247 ! antidote [Term] -id: CHEBI:27266 -name: valine -is_a: CHEBI:22918 ! branched-chain amino acid -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:30353 ! isopropyl group -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:74535 +name: N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine +is_a: CHEBI:17636 ! sphingomyelin d18:1 +is_a: CHEBI:72534 ! sphingomyelin 42:2 +is_a: CHEBI:83172 ! N-tetracosenoylsphingosine-1-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:27273 -name: vanadic acid -is_a: CHEBI:35166 ! vanadium coordination entity -is_a: CHEBI:36265 ! transition element oxoacid +id: CHEBI:74543 +name: 8-methyladenosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:27275 -name: vanadium molecular entity -is_a: CHEBI:33746 ! vanadium group molecular entity -relationship: has_part CHEBI:27698 ! vanadium atom +id: CHEBI:74544 +name: 1-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:84973 ! oleoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:27283 -name: very long-chain fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:74546 +name: 1,2-dioleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74917 ! 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:83308 ! dioleoylphosphatidate(2-) [Term] -id: CHEBI:27288 -name: vinca alkaloid -is_a: CHEBI:65323 ! monoterpenoid indole alkaloid +id: CHEBI:74547 +name: 1-linoleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27300 -name: vitamin D -is_a: CHEBI:36853 ! hydroxy seco-steroid -relationship: has_role CHEBI:24020 ! fat-soluble vitamin +id: CHEBI:74548 +name: 1-linoleoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27306 -name: vitamin B6 -is_a: CHEBI:26421 ! pyridines -relationship: has_role CHEBI:75769 ! B vitamin +id: CHEBI:74549 +name: 1-linolenoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27311 -name: volatile oil component -is_a: CHEBI:25212 ! metabolite +id: CHEBI:74550 +name: 1-linolenoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27314 -name: water-soluble vitamin -is_a: CHEBI:33229 ! vitamin +id: CHEBI:74551 +name: 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64862 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:27325 -name: xanthophyll -is_a: CHEBI:23044 ! carotenoid +id: CHEBI:74552 +name: 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64861 ! 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:27329 -name: xanthosine phosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:74554 +name: 1-heptadecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27338 -name: xylene -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:38975 ! methylbenzene +id: CHEBI:74556 +name: 1-heptadecanoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27343 -name: xylogalacturonan -is_a: CHEBI:24174 ! galacturonan +id: CHEBI:74558 +name: 1-oleoyl-2-heptadecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27353 -name: xylulose -is_a: CHEBI:24977 ! ketopentose +id: CHEBI:74560 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27354 -name: xylulose 5-phosphate -is_a: CHEBI:27355 ! xylulose phosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:74563 +name: 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27355 -name: xylulose phosphate -is_a: CHEBI:24976 ! ketopentose phosphate -is_a: CHEBI:33957 ! xylulose derivative +id: CHEBI:74565 +name: 1-stearoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27363 -name: zinc atom -is_a: CHEBI:33340 ! zinc group element atom -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74572 +name: (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27364 -name: zinc molecular entity -is_a: CHEBI:33673 ! zinc group molecular entity -relationship: has_part CHEBI:27363 ! zinc atom +id: CHEBI:74574 +name: pentadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:27365 -name: zinc ion -is_a: CHEBI:24867 ! monoatomic ion -is_a: CHEBI:37253 ! elemental zinc +id: CHEBI:74575 +name: (9Z)-pentadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:27369 -name: zwitterion -is_a: CHEBI:51151 ! dipolar compound +id: CHEBI:74576 +name: 1-acyl-2-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol [Term] -id: CHEBI:27376 -name: methanesulfonic acid -is_a: CHEBI:47901 ! alkanesulfonic acid -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74577 +name: 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol [Term] -id: CHEBI:27380 -name: (1->6)-beta-D-glucan -is_a: CHEBI:28793 ! beta-D-glucan -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:74578 +name: 1-oleoyl-2-pentadecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27385 -name: tetrachloromethane -is_a: CHEBI:23148 ! chloromethanes -is_a: CHEBI:39226 ! chlorocarbon -relationship: has_role CHEBI:50908 ! hepatotoxic agent -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:74579 +name: 1-oleoyl-2-myristoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27386 -name: cinnamic acid -is_a: CHEBI:23252 ! cinnamic acids -is_a: CHEBI:26799 ! styrenes -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74581 +name: gamma-linolenoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27405 -name: streptidine -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:61689 ! amino cyclitol -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:74582 +name: 1-(gamma-linolenoyl)-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27417 -name: p-xylene -is_a: CHEBI:27338 ! xylene +id: CHEBI:74583 +name: 1-arachidoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27432 -name: alpha-linolenic acid -is_a: CHEBI:25048 ! linolenic acid -is_a: CHEBI:25681 ! omega-3 fatty acid -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74584 +name: 1-arachidoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27445 -name: maltohexaose -is_a: CHEBI:62007 ! maltohexaose hexasaccharide -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74585 +name: (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27452 -name: styrene -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:26799 ! styrenes -is_a: CHEBI:33645 ! acyclic olefin -is_a: CHEBI:51324 ! vinylarene -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74586 +name: 1-myristoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27470 -name: folic acid -is_a: CHEBI:37445 ! folic acids -is_a: CHEBI:51569 ! N-acyl-amino acid -relationship: has_role CHEBI:33284 ! nutrient -relationship: has_role CHEBI:75769 ! B vitamin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74587 +name: (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27477 -name: D-valine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:27266 ! valine +id: CHEBI:74588 +name: (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27504 -name: mitomycin C -is_a: CHEBI:25357 ! mitomycin -relationship: has_role CHEBI:22333 ! alkylating agent -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:74590 +name: (10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27518 -name: acetylene -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:22339 ! alkyne -is_a: CHEBI:73477 ! terminal acetylenic compound +id: CHEBI:74592 +name: (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27532 -name: L-cysteine thioether -is_a: CHEBI:16385 ! organic sulfide -is_a: CHEBI:47910 ! S-substituted L-cysteine +id: CHEBI:74593 +name: (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27533 -name: beta-zeacarotene -is_a: CHEBI:139120 ! carotenoid beta-end group -is_a: CHEBI:35163 ! cyclic carotene +id: CHEBI:74595 +name: (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27547 -name: zeaxanthin -is_a: CHEBI:23045 ! carotenol -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74596 +name: Ins-1-P-Cer-C(1-) +is_a: CHEBI:139053 ! inositol-1-phosphophytoceramide(1-) +is_a: CHEBI:64916 ! inositol phosphoceramide(1-) [Term] -id: CHEBI:27551 -name: 5-methylcytosine -is_a: CHEBI:134207 ! methylcytosine -is_a: CHEBI:39447 ! pyrimidines -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74597 +name: Ins-1-P-Cer-C +is_a: CHEBI:60245 ! inositol phosphoceramide [Term] -id: CHEBI:27560 -name: boron atom -is_a: CHEBI:137980 ! metalloid atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33317 ! boron group element atom -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74600 +name: (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27561 -name: oxirane -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent -is_a: CHEBI:38104 ! oxacycle -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74601 +name: (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27563 -name: arsenic atom -is_a: CHEBI:137980 ! metalloid atom -is_a: CHEBI:33300 ! pnictogen -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74602 +name: (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27568 -name: selenium atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33303 ! chalcogen -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74603 +name: (18Z,21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontahexaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27569 -name: arabinogalactan -is_a: CHEBI:37165 ! galactan +id: CHEBI:74604 +name: guanosine 2'-monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:27570 -name: histidine -is_a: CHEBI:24780 ! imidazoles -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:33856 ! aromatic amino acid -relationship: has_part CHEBI:50338 ! 1H-imidazol-4-ylmethyl group -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:74606 +name: (11Z,14Z,17Z)-icosatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:27573 -name: silicon atom -is_a: CHEBI:137980 ! metalloid atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33306 ! carbon group element atom +id: CHEBI:74608 +name: (13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:27584 -name: aldosterone -is_a: CHEBI:131565 ! steroid aldehyde -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:25354 ! mineralocorticoid -is_a: CHEBI:35344 ! 21-hydroxy steroid -is_a: CHEBI:35346 ! 11beta-hydroxy steroid -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:36887 ! 18-oxo steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -is_a: CHEBI:64600 ! C21-steroid hormone -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74609 +name: (10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:27592 -name: ectoine -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:35359 ! carboxamidine -is_a: CHEBI:78715 ! 1,4,5,6-tetrahydropyrimidines -relationship: has_role CHEBI:25728 ! osmolyte +id: CHEBI:74610 +name: (6Z)-hexadecenoyl-CoA +is_a: CHEBI:24549 ! hexadecenoyl-CoA +is_a: CHEBI:76195 ! sapienoyl bioconjugate +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:27594 -name: carbon atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33306 ! carbon group element atom -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:74617 +name: 1-oleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:64379 ! 1-acyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72409 ! lysophosphatidylserine 18:1(1-) [Term] -id: CHEBI:27601 -name: pteridine -is_a: CHEBI:26373 ! pteridines -is_a: CHEBI:35570 ! mancude organic heterobicyclic parent -is_a: CHEBI:50893 ! azaarene -is_a: CHEBI:52362 ! ortho-fused heteroarene +id: CHEBI:74619 +name: aclacinomycin A +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:63571 ! trisaccharide derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:27612 -name: hydantoin -is_a: CHEBI:24628 ! imidazolidine-2,4-dione +id: CHEBI:74620 +name: 15-demethylaclacinomycin T +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:63367 ! monosaccharide derivative [Term] -id: CHEBI:27617 -name: monensin A -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26179 ! polyether antibiotic -is_a: CHEBI:59780 ! cyclic hemiketal -is_a: CHEBI:72600 ! spiroketal -relationship: has_role CHEBI:24869 ! ionophore -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:35818 ! coccidiostat +id: CHEBI:74621 +name: 5-oxo-delta-bilirubin +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:36735 ! biladienes [Term] -id: CHEBI:27638 -name: cobalt atom -is_a: CHEBI:33358 ! cobalt group element atom -is_a: CHEBI:88184 ! metal allergen -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74622 +name: 15-oxo-beta-bilirubin +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:36735 ! biladienes [Term] -id: CHEBI:27641 -name: cycloheximide -is_a: CHEBI:35356 ! dicarboximide -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:48589 ! piperidones -is_a: CHEBI:49318 ! piperidine antibiotic -is_a: CHEBI:87114 ! antibiotic fungicide -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:63726 ! neuroprotective agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74628 +name: 3-vinylbacteriochlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide [Term] -id: CHEBI:27642 -name: methyl tert-butyl ether -is_a: CHEBI:25698 ! ether -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:48355 ! non-polar solvent -relationship: has_role CHEBI:62803 ! fuel additive +id: CHEBI:74630 +name: glycosyloxyisoflavone +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:38757 ! isoflavones [Term] -id: CHEBI:27656 -name: camptothecin -is_a: CHEBI:18946 ! delta-lactone -is_a: CHEBI:26509 ! quinoline alkaloid -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:48626 ! pyranoindolizinoquinoline -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50276 ! EC 5.99.1.2 (DNA topoisomerase) inhibitor -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74631 +name: cysteamine S-phosphate(2-) +is_a: CHEBI:74950 ! organic phosphorothioate anion [Term] -id: CHEBI:27659 -name: 2-oxo aldehyde -is_a: CHEBI:24960 ! ketoaldehyde +id: CHEBI:74636 +name: N(6)-L-threonylcarbamoyladenine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27666 -name: actinomycin D -is_a: CHEBI:15369 ! actinomycin -relationship: has_role CHEBI:25435 ! mutagen +id: CHEBI:74637 +name: N(6)-L-threonylcarbamoyladenine 5'-monophosphate +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:48116 ! nucleotide-amino acid +is_a: CHEBI:84189 ! L-threonine derivative [Term] -id: CHEBI:27667 -name: beta-D-galactose -is_a: CHEBI:4139 ! D-galactopyranose -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74638 +name: N(6)-dimethylallyladenine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27680 -name: galactomannan -is_a: CHEBI:61298 ! D-glucose- and/or D-galactose-substituted mannan +id: CHEBI:74640 +name: N-acetyl-L-tryptophan +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:47994 ! L-tryptophan derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:27684 -name: phenylmercury acetate -is_a: CHEBI:22648 ! arylmercury compound -is_a: CHEBI:22712 ! benzenes +id: CHEBI:74642 +name: 2-thio-N(6)-dimethylallyladenine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27698 -name: vanadium atom -is_a: CHEBI:33347 ! vanadium group element atom -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74643 +name: 2-thio-N(6)-dimethylallyladenine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:82711 ! aryl thiol [Term] -id: CHEBI:27701 -name: oxytetracycline -is_a: CHEBI:26895 ! tetracyclines -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:35472 ! anti-inflammatory drug -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74645 +name: 2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27705 -name: delta-carotene -is_a: CHEBI:139115 ! carotenoid epsilon-end group -is_a: CHEBI:35163 ! cyclic carotene -relationship: has_part CHEBI:139114 ! carotenoid psi-end group +id: CHEBI:74646 +name: 2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate +is_a: CHEBI:35683 ! aryl sulfide +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:27715 -name: 3-chlorocatechol -is_a: CHEBI:23138 ! chlorocatechol -is_a: CHEBI:83403 ! monochlorobenzenes +id: CHEBI:74648 +name: 2-thio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27726 -name: 6-chloro-1,3,5-triazine-2,4-diamine -is_a: CHEBI:38168 ! chloro-1,3,5-triazine -is_a: CHEBI:38170 ! diamino-1,3,5-triazine +id: CHEBI:74649 +name: 2-thio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate +is_a: CHEBI:47857 ! ureas +is_a: CHEBI:48116 ! nucleotide-amino acid +is_a: CHEBI:82711 ! aryl thiol +is_a: CHEBI:84189 ! L-threonine derivative [Term] -id: CHEBI:27730 -name: D-isoleucine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:24898 ! isoleucine -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74650 +name: 2-methylthio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27732 -name: caffeine -is_a: CHEBI:26385 ! purine alkaloid -is_a: CHEBI:27134 ! trimethylxanthine -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:35337 ! central nervous system stimulant -relationship: has_role CHEBI:35471 ! psychotropic drug -relationship: has_role CHEBI:35498 ! diuretic -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:38809 ! ryanodine receptor modulator -relationship: has_role CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor -relationship: has_role CHEBI:50925 ! EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor -relationship: has_role CHEBI:53121 ! adenosine A2A receptor antagonist -relationship: has_role CHEBI:60809 ! adjuvant -relationship: has_role CHEBI:64047 ! food additive -relationship: has_role CHEBI:67114 ! ryanodine receptor agonist -relationship: has_role CHEBI:71232 ! adenosine receptor antagonist -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:74653 +name: 3-thio-L-aspartic acid +is_a: CHEBI:26834 ! sulfur-containing amino acid +is_a: CHEBI:29256 ! thiol +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83978 ! L-aspartic acid derivative [Term] -id: CHEBI:27741 -name: 3'-hydroxyflavonoid -is_a: CHEBI:24698 ! hydroxyflavone +id: CHEBI:74655 +name: 7-methylguanosine 5'-triphosphate group +is_a: CHEBI:64769 ! organic cationic group [Term] -id: CHEBI:27744 -name: glyphosate -is_a: CHEBI:24373 ! glycine derivative -is_a: CHEBI:44976 ! phosphonic acid -relationship: has_role CHEBI:20569 ! EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor -relationship: has_role CHEBI:24527 ! herbicide -relationship: has_role CHEBI:33286 ! agrochemical +id: CHEBI:74656 +name: O(4)-phosphonato-D-tyrosine(2-) +is_a: CHEBI:74955 ! O(4)-phosphonatotyrosine(2-) [Term] -id: CHEBI:27748 -name: D-ribosylnicotinic acid -is_a: CHEBI:47896 ! pyridine nucleoside -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74658 +name: N(2),N(2),N(7)-trimethylguanosine 5'-triphosphate group +is_a: CHEBI:64769 ! organic cationic group [Term] -id: CHEBI:27750 -name: ethyl acetate -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:23990 ! ethyl ester -is_a: CHEBI:47622 ! acetate ester -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:48358 ! polar aprotic solvent -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77706 ! EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor +id: CHEBI:74659 +name: N(2),N(2),N(7)-trimethylguanosine 5'-triphosphate(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:37121 ! guanosine 5'-phosphate + +[Term] +id: CHEBI:7466 +name: nandrolone +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50786 ! anabolic androgenic steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:27757 -name: 4-chlorobiphenyl -is_a: CHEBI:36717 ! monochlorobiphenyl +id: CHEBI:74662 +name: (10Z,13Z,16Z,19Z)-docosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:27761 -name: (S)-prunasin -is_a: CHEBI:25150 ! prunasin +id: CHEBI:74663 +name: (11Z,14Z,17Z,20Z,23Z)-3-oxohexacosapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:27780 -name: detergent -is_a: CHEBI:33232 ! application -is_a: CHEBI:35195 ! surfactant +id: CHEBI:74665 +name: (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27789 -name: 1,2-dichloroethane -is_a: CHEBI:36016 ! chloroethanes -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:48355 ! non-polar solvent +id: CHEBI:74666 +name: (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:27798 -name: nitrobenzene -is_a: CHEBI:48109 ! nitrobenzenes -is_a: CHEBI:51132 ! nitroarene +id: CHEBI:74667 +name: 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64517 ! phosphatidylcholine 34:1 +is_a: CHEBI:75279 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:27810 -name: resorcinol -is_a: CHEBI:17701 ! benzenediol -is_a: CHEBI:33572 ! resorcinols -relationship: has_role CHEBI:139492 ! sensitiser -relationship: has_role CHEBI:91025 ! erythropoietin inhibitor +id: CHEBI:74668 +name: N(2),N(2),N(7)-trimethylguanosine 5'-phosphate +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:37121 ! guanosine 5'-phosphate [Term] -id: CHEBI:27822 -name: 2-aminobenzimidazole -is_a: CHEBI:22715 ! benzimidazoles -relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite +id: CHEBI:74669 +name: 1,2-dioleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58293 ! 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine +is_a: CHEBI:84836 ! 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:27826 -name: (S)-4-hydroxymandelonitrile beta-D-glucoside -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:23436 ! cyanogenic glycoside -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:74670 +name: 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:60000 ! 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine +is_a: CHEBI:64523 ! phosphatidylcholine 36:3 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:27843 -name: cyanidin cation -is_a: CHEBI:140277 ! 5-hydroxyanthocyanidin -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:63726 ! neuroprotective agent +id: CHEBI:74671 +name: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64525 ! phosphatidylcholine 38:5 +is_a: CHEBI:75063 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:27848 -name: alpha-L-rhamnoside -is_a: CHEBI:26547 ! rhamnoside +id: CHEBI:74672 +name: 5,6-dihydrouridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27849 -name: toluene-4-sulfonic acid -is_a: CHEBI:27024 ! toluenes -is_a: CHEBI:33555 ! arenesulfonic acid +id: CHEBI:74673 +name: 5,6-dihydrouridine 5'-monophosphate +is_a: CHEBI:27232 ! uridine 5'-phosphate [Term] -id: CHEBI:27881 -name: resveratrol -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:33572 ! resorcinols -is_a: CHEBI:36027 ! stilbenol -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:26115 ! phytoalexin +id: CHEBI:74674 +name: 2'-O-methylguanosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27891 -name: S-sulfo-L-cysteine -is_a: CHEBI:37996 ! organic thiosulfate -is_a: CHEBI:47910 ! S-substituted L-cysteine -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74675 +name: 5-methyluridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27897 -name: tryptophan -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:33856 ! aromatic amino acid -is_a: CHEBI:38631 ! aminoalkylindole -relationship: has_part CHEBI:50337 ! 1H-indol-3-ylmethyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:74676 +name: N(6)-methyladenosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27899 -name: cisplatin -is_a: CHEBI:51214 ! diamminedichloroplatinum -relationship: has_role CHEBI:22333 ! alkylating agent -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:47868 ! photosensitizing agent -relationship: has_role CHEBI:50684 ! cross-linking reagent -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:61015 ! nephrotoxin +id: CHEBI:74677 +name: 5-aminomethyl-2-thiouridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27902 -name: tetracycline -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:26895 ! tetracyclines -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:35820 ! antiprotozoal drug -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74678 +name: 5-aminomethyl-2-thiouridine 5'-monophosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:27903 -name: (2,4,5-trichlorophenoxy)acetic acid -is_a: CHEBI:23152 ! chlorophenoxyacetic acid -is_a: CHEBI:27096 ! trichlorobenzene -relationship: has_role CHEBI:23582 ! defoliant -relationship: has_role CHEBI:26841 ! synthetic auxin +id: CHEBI:74679 +name: 5-methylaminomethyl-2-thiouridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27922 -name: sorbose -is_a: CHEBI:24973 ! ketohexose -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74680 +name: 5-methylaminomethyl-2-thiouridine 5'-monophosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:27928 -name: parathion -is_a: CHEBI:25715 ! organothiophosphate insecticide -is_a: CHEBI:35716 ! C-nitro compound -is_a: CHEBI:37512 ! organic thiophosphate -relationship: has_role CHEBI:22153 ! acaricide -relationship: has_role CHEBI:33286 ! agrochemical -relationship: has_role CHEBI:33289 ! avicide -relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor -relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74681 +name: 2'-O-methyladenosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27933 -name: beta-lactam antibiotic -is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic -is_a: CHEBI:35627 ! beta-lactam +id: CHEBI:74685 +name: 2'-O-methyluridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27941 -name: pullulan -is_a: CHEBI:26384 ! pullulans -is_a: CHEBI:72813 ! exopolysaccharide +id: CHEBI:74691 +name: trans-2-icosenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:27947 -name: D-histidine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:27570 ! histidine -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:74692 +name: trans-2-docosenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:27955 -name: streptamine -is_a: CHEBI:61689 ! amino cyclitol +id: CHEBI:74693 +name: trans-2-tetracosenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:27958 -name: cocaine -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:36054 ! benzoate ester -is_a: CHEBI:37332 ! tropane alkaloid -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:35337 ! central nervous system stimulant -relationship: has_role CHEBI:35524 ! sympathomimetic agent -relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:36333 ! local anaesthetic -relationship: has_role CHEBI:38633 ! sodium channel blocker -relationship: has_role CHEBI:50514 ! vasoconstrictor agent -relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor -relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:74694 +name: 1-palmitoleoyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27963 -name: (Kdo)2-lipid A (E. coli) -is_a: CHEBI:25051 ! lipid As -is_a: CHEBI:87659 ! dodecanoate ester -is_a: CHEBI:87691 ! tetradecanoate ester -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74697 +name: 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:27975 -name: L-glyceraldehyde -is_a: CHEBI:5445 ! glyceraldehyde +id: CHEBI:74720 +name: N(7)-methylguanosine 5'-phosphate +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:37121 ! guanosine 5'-phosphate [Term] -id: CHEBI:27991 -name: benzonitrile -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:22712 ! benzenes +id: CHEBI:74721 +name: N(2)-methylguanosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:27996 -name: (R)-4-hydroxymandelate -is_a: CHEBI:32804 ! 4-hydroxymandelate +id: CHEBI:74722 +name: N(2)-methylguanosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:27998 -name: tungsten -is_a: CHEBI:33350 ! chromium group element atom -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74724 +name: 5-methylcytidine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28001 -name: vancomycin -is_a: CHEBI:24396 ! glycopeptide -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74725 +name: 5-methylcytidine 5'-monophosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28017 -name: starch -is_a: CHEBI:37163 ! glucan -relationship: has_part CHEBI:28057 ! amylopectin -relationship: has_part CHEBI:28102 ! amylose -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74730 +name: N(3)-methylpseudouridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28024 -name: cyanic acid -is_a: CHEBI:23423 ! pseudohalogen oxoacid -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:74731 +name: N(3)-methylpseudouridine 5'-monophosphate +is_a: CHEBI:37040 ! C-nucleoside phosphate [Term] -id: CHEBI:28034 -name: beta-D-galactoside -is_a: CHEBI:20961 ! D-galactoside +id: CHEBI:74735 +name: N(1)-methyladenosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28044 -name: phenylalanine -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:33856 ! aromatic amino acid -relationship: has_part CHEBI:22744 ! benzyl group -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:74736 +name: N(1)-methyladenosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28053 -name: melibiose -is_a: CHEBI:24405 ! glycosylglucose -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:91139 ! elastin-laminin receptor agonist +id: CHEBI:74744 +name: N(6),N(6)-dimethyladenosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28057 -name: amylopectin -is_a: CHEBI:65212 ! polysaccharide derivative +id: CHEBI:74748 +name: 2'-O-methylcytidine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28058 -name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-beta-D-Gal-(1->4)-beta-beta-D-Glc-(1<->1')-Cer -is_a: CHEBI:36543 ! sialotetraosylceramide -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74752 +name: thiophosphate(2-) +is_a: CHEBI:33461 ! phosphorus oxoanion +is_a: CHEBI:79388 ! divalent inorganic anion [Term] -id: CHEBI:28063 -name: o-xylene -is_a: CHEBI:27338 ! xylene +id: CHEBI:74755 +name: aclacinomycin T(1+) +is_a: CHEBI:64678 ! anthracycline cation [Term] -id: CHEBI:28073 -name: chromium atom -is_a: CHEBI:33350 ! chromium group element atom -is_a: CHEBI:88184 ! metal allergen -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74769 +name: 2-methyladenosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28087 -name: glycogen -is_a: CHEBI:24384 ! glycogens -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74770 +name: 2-methyladenosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:28088 -name: genistein -is_a: CHEBI:55465 ! 7-hydroxyisoflavones -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor -relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76989 ! phytoestrogen +id: CHEBI:74771 +name: N(3)-methyluridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28093 -name: borneol -is_a: CHEBI:22912 ! bornane monoterpenoid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:27311 ! volatile oil component +id: CHEBI:74773 +name: N(3)-methyluridine 5'-monophosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28097 -name: chlorobenzene -is_a: CHEBI:83403 ! monochlorobenzenes -relationship: has_role CHEBI:46787 ! solvent +id: CHEBI:74777 +name: N(4)-methylcytidine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28098 -name: kanamycin B -is_a: CHEBI:24951 ! kanamycins +id: CHEBI:74778 +name: N(4)-methylcytidine 5'-monophosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28100 -name: (1->3)-alpha-D-glucan -is_a: CHEBI:22385 ! alpha-D-glucan +id: CHEBI:74781 +name: 5-carboxymethylaminomethyluridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28102 -name: amylose -is_a: CHEBI:37163 ! glucan -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74782 +name: 5-carboxymethylaminomethyluridine 5'-monophosphate +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28107 -name: 2-isopropylmalate(2-) -is_a: CHEBI:132917 ! 2-isopropylmalate -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:74783 +name: astringent +is_a: CHEBI:23888 ! drug [Term] -id: CHEBI:28113 -name: 24,25-dihydrolanosterol -is_a: CHEBI:26893 ! tetracyclic triterpenoid -is_a: CHEBI:35348 ! 3beta-sterol -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74784 +name: 5-carboxymethylaminomethyl-2'-O-methyluridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28118 -name: muramic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:25432 ! muramic acids -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74785 +name: 5-carboxymethylaminomethyl-2'-O-methyluridine 5'-monophosphate +is_a: CHEBI:24373 ! glycine derivative +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28119 -name: 2,3,7,8-tetrachlorodibenzodioxine -is_a: CHEBI:36682 ! polychlorinated dibenzodioxine +id: CHEBI:74786 +name: N(2),N(2)-dimethylguanosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28120 -name: L-fructose -is_a: CHEBI:28757 ! fructose +id: CHEBI:74787 +name: 8-methyladenosine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28122 -name: p-cumic acid -is_a: CHEBI:23412 ! cumic acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74788 +name: 8-methyladenosine 5'-monophosphate +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28145 -name: dibenzofuran -is_a: CHEBI:36416 ! mancude organic heterotricyclic parent -is_a: CHEBI:38180 ! polycyclic heteroarene -is_a: CHEBI:38922 ! dibenzofurans -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:74818 +name: heteroaryl hydroxy compound +is_a: CHEBI:33659 ! organic aromatic compound +is_a: CHEBI:33822 ! organic hydroxy compound [Term] -id: CHEBI:28151 -name: 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate -is_a: CHEBI:23375 ! copalyl diphosphate +id: CHEBI:74819 +name: 2-methyl-L-serine +is_a: CHEBI:134206 ! 2-methylserine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid [Term] -id: CHEBI:28159 -name: D-asparagine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:22653 ! asparagine +id: CHEBI:74830 +name: 1-linoleoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28163 -name: iron(III) hydroxamate -is_a: CHEBI:5975 ! iron chelate -relationship: has_part CHEBI:24648 ! hydroxamic acid anion -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74831 +name: 1-linolenoyl-sn-glycero-3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28185 -name: kanamycin C -is_a: CHEBI:24951 ! kanamycins +id: CHEBI:74833 +name: 1-linolenoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28191 -name: 6-alpha-maltosylglucose -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:74836 +name: 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphate +is_a: CHEBI:64869 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:28199 -name: ferrienterobactin(3-) -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:33892 ! iron coordination entity -relationship: has_part CHEBI:38150 ! enterobactin(6-) -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74839 +name: 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate +is_a: CHEBI:64864 ! 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:28201 -name: rotenone -is_a: CHEBI:38164 ! organic heteropentacyclic compound -is_a: CHEBI:72581 ! rotenones -relationship: has_role CHEBI:22917 ! phytogenic insecticide -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:27026 ! toxin -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38498 ! mitochondrial NADH:ubiquinone reductase inhibitor +id: CHEBI:74840 +name: 1-heptadecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28205 -name: phaseic acid -is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:74841 +name: 1-heptadecanoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28217 -name: acrylonitrile -is_a: CHEBI:80291 ! aliphatic nitrile -relationship: has_role CHEBI:50903 ! carcinogenic agent +id: CHEBI:74845 +name: 1-oleoyl-2-heptadecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28222 -name: 1,2,4-trichlorobenzene -is_a: CHEBI:27096 ! trichlorobenzene +id: CHEBI:74847 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28225 -name: D-leucine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:25017 ! leucine -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74849 +name: 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28229 -name: N(omega)-methyl-L-arginine -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:83965 ! L-arginine derivative +id: CHEBI:74850 +name: 1-stearoyl-sn-glycero-3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:28245 -name: (S)-2-amino-6-oxopimelic acid -is_a: CHEBI:36145 ! oxo dicarboxylic acid +id: CHEBI:74851 +name: 5-(2-methoxy-2-oxoethyl)uridine 5'-monophosphate residue(1-) +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:28247 -name: 11beta-hydroxyprogesterone -is_a: CHEBI:35346 ! 11beta-hydroxy steroid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74852 +name: 1-oleoyl-2-pentadecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28260 -name: galactose -is_a: CHEBI:33917 ! aldohexose -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:74853 +name: 2,3-bis-O-phytanyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:138139 ! 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:28262 -name: dimethyl sulfoxide -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:22063 ! sulfoxide -relationship: has_role CHEBI:22333 ! alkylating agent -relationship: has_role CHEBI:35481 ! non-narcotic analgesic -relationship: has_role CHEBI:37335 ! MRI contrast agent -relationship: has_role CHEBI:48358 ! polar aprotic solvent -relationship: has_role CHEBI:48578 ! radical scavenger -relationship: has_role CHEBI:50247 ! antidote -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74864 +name: ribose derivative +is_a: CHEBI:63373 ! aldopentose derivative [Term] -id: CHEBI:28266 -name: fluorene -is_a: CHEBI:35296 ! ortho-fused polycyclic arene -is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon +id: CHEBI:74882 +name: 5-(carboxymethyl)uridine 5'-monophosphate(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:28295 -name: 2-deoxystreptamine -is_a: CHEBI:61689 ! amino cyclitol +id: CHEBI:7489 +name: neamine +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:53628 ! 2,6-dideoxy-alpha-D-glucoside relationship: has_role CHEBI:33282 ! antibacterial agent [Term] -id: CHEBI:28297 -name: hydantoin-5-propionic acid -is_a: CHEBI:24628 ! imidazolidine-2,4-dione -is_a: CHEBI:25384 ! monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74890 +name: N(1)-methylpseudouridine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:28300 -name: glutamine -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:50331 ! 3-amino-3-oxopropyl group -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:74892 +name: 1-oleoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:72067 ! phosphatidylserine 36:3(1-) +is_a: CHEBI:75066 ! 1-acyl-2-linoleoyl-sn-glycero-3-phosphoserine(1-) [Term] -id: CHEBI:28302 -name: glucuronoarabinoxylan -is_a: CHEBI:22603 ! arabinoxylans -is_a: CHEBI:60938 ! glucuronoxylan +id: CHEBI:74894 +name: N(3)-methylcytidine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:28304 -name: heparin -is_a: CHEBI:24505 ! heparins -relationship: has_role CHEBI:50249 ! anticoagulant +id: CHEBI:74896 +name: 3'-end ribonucleotide(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:28324 -name: 11-deoxycortisol -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:23618 ! deoxycortisol -is_a: CHEBI:24261 ! glucocorticoid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74897 +name: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:72076 ! phosphatidylserine 38:5(1-) +is_a: CHEBI:75065 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) [Term] -id: CHEBI:28328 -name: D-galactosamine -is_a: CHEBI:24156 ! galactosamine -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74898 +name: 3'-end 2'-O-methylribonucleotide(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:28358 -name: rac-lactic acid -is_a: CHEBI:60911 ! racemate -relationship: has_part CHEBI:42111 ! (R)-lactic acid -relationship: has_part CHEBI:422 ! (S)-lactic acid -relationship: has_role CHEBI:64049 ! food acidity regulator +id: CHEBI:74900 +name: N(4)-acetylcytidine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:28368 -name: novobiocin -is_a: CHEBI:23003 ! carbamate ester -is_a: CHEBI:25698 ! ether -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:35313 ! hexoside -is_a: CHEBI:37912 ! hydroxycoumarin -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor -relationship: has_role CHEBI:62868 ! hepatoprotective agent -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74901 +name: 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:72059 ! phosphatidylserine 34:2(1-) [Term] -id: CHEBI:28383 -name: alpha,omega-dicarboxylic acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:74902 +name: 1-oleoyl-2-stearoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:72065 ! phosphatidylserine 36:1(1-) [Term] -id: CHEBI:28384 -name: vitamin K -is_a: CHEBI:60004 ! mixture -relationship: has_part CHEBI:16374 ! menaquinone -relationship: has_part CHEBI:18067 ! phylloquinone -relationship: has_part CHEBI:28869 ! menadione -relationship: has_role CHEBI:24020 ! fat-soluble vitamin -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74903 +name: isocaproic acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:74904 +name: isocaproate +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:74905 +name: 1,2-dioleoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:72066 ! phosphatidylserine 36:2(1-) + +[Term] +id: CHEBI:74909 +name: 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:72058 ! phosphatidylserine 34:1(1-) [Term] -id: CHEBI:28386 -name: 4-hydroxycinnamyl alcohol -is_a: CHEBI:15734 ! primary alcohol -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74917 +name: 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28393 -name: beta-D-glucosamine -is_a: CHEBI:47977 ! 2-amino-2-deoxy-D-glucopyranose -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74920 +name: 1-acyl-2-linoleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28398 -name: butan-2-one -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:18044 ! dialkyl ketone -is_a: CHEBI:51867 ! methyl ketone -relationship: has_role CHEBI:48358 ! polar aprotic solvent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:74922 +name: 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28426 -name: cyanidin 3-O-beta-D-glucoside -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:35218 ! anthocyanin cation -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:74924 +name: aclacinomycin N(1+) +is_a: CHEBI:64678 ! anthracycline cation [Term] -id: CHEBI:28427 -name: arabinoxylan -is_a: CHEBI:22603 ! arabinoxylans +id: CHEBI:74925 +name: EC 3.4.23.46 (memapsin 2) inhibitor +is_a: CHEBI:76885 ! EC 3.4.23.* (aspartic endopeptidase) inhibitor [Term] -id: CHEBI:28428 -name: beta-hexachlorocyclohexane -is_a: CHEBI:24536 ! hexachlorocyclohexane -relationship: has_role CHEBI:25944 ! pesticide -relationship: has_role CHEBI:77853 ! persistent organic pollutant +id: CHEBI:74928 +name: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74922 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:28436 -name: delphinidin -is_a: CHEBI:140277 ! 5-hydroxyanthocyanidin -relationship: has_role CHEBI:26130 ! biological pigment -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74929 +name: aclacinomycin Y(1+) +is_a: CHEBI:64678 ! anthracycline cation [Term] -id: CHEBI:28460 -name: maltotetraose -is_a: CHEBI:61986 ! maltotetraose tetrasaccharide -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74930 +name: 1-oleoyl-2-myristoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:28462 -name: ajmaline -is_a: CHEBI:65323 ! monoterpenoid indole alkaloid -is_a: CHEBI:73080 ! hemiaminal +id: CHEBI:74931 +name: tetracenomycin F1(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:28479 -name: D-tyrosine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:18186 ! tyrosine -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74933 +name: 1-(gamma-linolenoyl)-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28480 -name: aldehydo-L-lyxose -is_a: CHEBI:62320 ! L-lyxose +id: CHEBI:74934 +name: tetracenomycin D3(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:28484 -name: isovaleric acid -is_a: CHEBI:26666 ! short-chain fatty acid -is_a: CHEBI:38653 ! methylbutyric acid -is_a: CHEBI:39417 ! branched-chain saturated fatty acid -relationship: has_role CHEBI:75768 ! mammalian metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:74936 +name: 1-(gamma-linolenoyl)-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:16196 ! oleic acid +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28488 -name: m-xylene -is_a: CHEBI:27338 ! xylene +id: CHEBI:74937 +name: 1-oleoyl-2-arachidoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28494 -name: cardiolipin -is_a: CHEBI:17517 ! phosphatidylglycerol -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74938 +name: 1-arachidonoyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28498 -name: acadesine -is_a: CHEBI:22512 ! aminoimidazole -is_a: CHEBI:26556 ! 1-ribosylimidazolecarboxamide -is_a: CHEBI:60783 ! nucleoside analogue -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor +id: CHEBI:74939 +name: 1-arachidoyl-sn-glycero-3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28499 -name: kaempferol -is_a: CHEBI:28802 ! flavonols -is_a: CHEBI:38684 ! tetrahydroxyflavone -is_a: CHEBI:52267 ! 7-hydroxyflavonol -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:84087 ! human urinary metabolite -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:74941 +name: 1-arachidonoyl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74917 ! 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:28506 -name: arsonoacetic acid -is_a: CHEBI:22638 ! organoarsonic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:74942 +name: 1-arachidoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28537 -name: all-trans-dehydroretinal -is_a: CHEBI:26534 ! retinals +id: CHEBI:74943 +name: 1-myristoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:28554 -name: ajugose -is_a: CHEBI:35368 ! hexasaccharide -is_a: CHEBI:74961 ! raffinose family oligosaccharide +id: CHEBI:74945 +name: 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate(14-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion [Term] -id: CHEBI:28579 -name: epsilon-caprolactam -is_a: CHEBI:23000 ! caprolactams -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:74946 +name: 1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate(13-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion [Term] -id: CHEBI:28585 -name: 4-carboxy-4'-sulfoazobenzene -is_a: CHEBI:22682 ! azobenzenes -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26825 ! sulfobenzoic acid +id: CHEBI:74948 +name: guanosine 2'-monophosphate +is_a: CHEBI:37649 ! purine ribonucleoside 2'-monophosphate +relationship: has_role CHEBI:74949 ! EC 3.1.27.3 (ribonuclease T1) inhibitor [Term] -id: CHEBI:28586 -name: verbascose -is_a: CHEBI:35369 ! pentasaccharide -is_a: CHEBI:74961 ! raffinose family oligosaccharide +id: CHEBI:74949 +name: EC 3.1.27.3 (ribonuclease T1) inhibitor +is_a: CHEBI:76791 ! EC 3.1.27.* (endoribonucleases producing other than 5'-phosphomonoesters) inhibitor [Term] -id: CHEBI:28591 -name: guaiacol -is_a: CHEBI:134251 ! guaiacols -relationship: has_role CHEBI:48219 ! disinfectant -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77035 ! expectorant -relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor +id: CHEBI:74950 +name: organic phosphorothioate anion +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:28599 -name: siroheme -is_a: CHEBI:30413 ! heme -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74951 +name: cysteamine S-phosphate +is_a: CHEBI:37512 ! organic thiophosphate +is_a: CHEBI:50994 ! primary amino compound [Term] -id: CHEBI:28600 -name: farnesol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:26199 ! polyprenol -is_a: CHEBI:36757 ! farnesane sesquiterpenoid -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:74955 +name: O(4)-phosphonatotyrosine(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:28602 -name: beta-D-fructofuranose 2,6-bisphosphate -is_a: CHEBI:78687 ! D-fructofuranose 2,6-bisphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74956 +name: O(4)-phosphotyrosine +is_a: CHEBI:21968 ! O-phosphoamino acid +is_a: CHEBI:33856 ! aromatic amino acid +is_a: CHEBI:62761 ! tyrosine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:28616 -name: carbamic acid -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:35605 ! carbon oxoacid -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74958 +name: N-isovaleryl-L-homoserine lactone +is_a: CHEBI:55474 ! N-acyl-L-homoserine lactone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:62488 ! signalling molecule [Term] -id: CHEBI:28618 -name: 1,4-dichlorobenzene -is_a: CHEBI:23697 ! dichlorobenzene -relationship: has_role CHEBI:24852 ! insecticide +id: CHEBI:74959 +name: O(4)-phospho-D-tyrosine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:33856 ! aromatic amino acid +is_a: CHEBI:74956 ! O(4)-phosphotyrosine +is_a: CHEBI:84124 ! D-tyrosine derivative [Term] -id: CHEBI:28619 -name: acrylamide -is_a: CHEBI:140324 ! primary carboxamide -is_a: CHEBI:22216 ! acrylamides -is_a: CHEBI:83628 ! N-acylammonia -relationship: has_role CHEBI:22333 ! alkylating agent -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:77523 ! Maillard reaction product +id: CHEBI:74961 +name: raffinose family oligosaccharide +is_a: CHEBI:50699 ! oligosaccharide [Term] -id: CHEBI:28621 -name: triethanolamine -is_a: CHEBI:22478 ! amino alcohol -is_a: CHEBI:27136 ! triol -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:35195 ! surfactant -relationship: has_role CHEBI:35225 ! buffer +id: CHEBI:74963 +name: 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:64519 ! phosphatidylcholine 38:6 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:28624 -name: tetrahydrofolyl-poly(glutamic acid) macromolecule -is_a: CHEBI:26908 ! tetrahydrofolyl glutamate +id: CHEBI:74965 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64526 ! phosphatidylcholine 38:4 +is_a: CHEBI:75063 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:28631 -name: 3-phenylpropionic acid -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:25384 ! monocarboxylic acid -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74966 +name: 1-lauroyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:28635 -name: 2-isopropylmalic acid -is_a: CHEBI:35692 ! dicarboxylic acid -is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid -is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:74967 +name: 1-lauroyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:75063 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:28640 -name: lipoteichoic acid -is_a: CHEBI:30049 ! teichoic acid +id: CHEBI:74968 +name: 1-icosanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:67058 ! lysophosphatidylcholine 20:0 [Term] -id: CHEBI:28645 -name: beta-D-fructofuranose -is_a: CHEBI:37721 ! D-fructofuranose -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:74969 +name: mucilage +is_a: CHEBI:60004 ! mixture +relationship: has_part CHEBI:17309 ! pectin +relationship: has_part CHEBI:72813 ! exopolysaccharide [Term] -id: CHEBI:28647 -name: 3-O-methylgallic acid -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:33566 ! catechols +id: CHEBI:74970 +name: 1-icosanoyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66862 ! phosphatidylcholine 40:4 +is_a: CHEBI:75063 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:28659 -name: phosphorus atom -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33300 ! pnictogen -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:74971 +name: 1-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64381 ! 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72388 ! lysophosphatidylethanolamine zwitterion 18:1 [Term] -id: CHEBI:28666 -name: leukotriene D4 -is_a: CHEBI:16385 ! organic sulfide -is_a: CHEBI:25029 ! leukotriene -is_a: CHEBI:46761 ! dipeptide -relationship: has_role CHEBI:50141 ! bronchoconstrictor agent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74972 +name: (11Z,14Z,17Z,20Z,23Z)-3-oxohexacosapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:28675 -name: dextrin -is_a: CHEBI:23652 ! dextrins +id: CHEBI:74974 +name: N-(4-coumaroyl)-L-homoserine lactone +is_a: CHEBI:55474 ! N-acyl-L-homoserine lactone +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:62488 ! signalling molecule [Term] -id: CHEBI:28680 -name: cytarabine -is_a: CHEBI:26440 ! pyrimidine nucleoside -is_a: CHEBI:38315 ! beta-D-arabinoside -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:22587 ! antiviral agent -relationship: has_role CHEBI:35221 ! antimetabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35705 ! immunosuppressive agent +id: CHEBI:74975 +name: 1-oleoyl-2-arachidonoyl-sn-glycerol-3-phosphoethanolamine zwitterion +is_a: CHEBI:71738 ! phosphatidylethanolamine 38:5 zwitterion [Term] -id: CHEBI:28681 -name: N,N'-diacetylchitobiose -is_a: CHEBI:23101 ! N,N'-diacetylchitobioses -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74977 +name: 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71729 ! phosphatidylethanolamine 36:3 zwitterion [Term] -id: CHEBI:28683 -name: kynurenine -is_a: CHEBI:48975 ! substituted aniline -is_a: CHEBI:76224 ! aromatic ketone -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74978 +name: ginsenoside +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:61778 ! triterpenoid saponin [Term] -id: CHEBI:28685 -name: molybdenum atom -is_a: CHEBI:33350 ! chromium group element atom -relationship: has_role CHEBI:27027 ! micronutrient +id: CHEBI:74986 +name: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71728 ! phosphatidylethanolamine 36:2 zwitterion [Term] -id: CHEBI:28689 -name: dehydroepiandrosterone -is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid -is_a: CHEBI:19168 ! 17-oxo steroid -is_a: CHEBI:50402 ! androstanoid -relationship: has_role CHEBI:50113 ! androgen -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:74994 +name: Man-1-2-Ins-1-P-Cer C(1-) +is_a: CHEBI:139066 ! mannosylinositol-1-phosphophytoceramide(1-) +is_a: CHEBI:64997 ! mannosylinositol phosphorylceramide(1-) [Term] -id: CHEBI:28694 -name: copper atom -is_a: CHEBI:33366 ! copper group element atom -relationship: has_role CHEBI:27027 ! micronutrient -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:74997 +name: Ins-1-P-6-Man-1-2-Ins-1-P-Cer(2-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:28697 -name: 21-deoxycortisol -is_a: CHEBI:23618 ! deoxycortisol +id: CHEBI:75017 +name: 1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:65294 ! phosphatidylcholine 28:0 +is_a: CHEBI:75279 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:28699 -name: cyclic 2,3-bisphospho-D-glyceric acid -is_a: CHEBI:22902 ! bisphosphoglyceric acid +id: CHEBI:75018 +name: 1-palmitoyl-2-lauroyl-sn-glycero-3-phosphocholine +is_a: CHEBI:65294 ! phosphatidylcholine 28:0 +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:28716 -name: (9Z)-hexadecenoic acid -is_a: CHEBI:72004 ! hexadec-9-enoic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor -relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite -relationship: has_role CHEBI:84735 ! algal metabolite -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:75020 +name: 1-palmitoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:64379 ! 1-acyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72405 ! lysophosphatidylserine 16:0(1-) [Term] -id: CHEBI:28723 -name: D-glycero-D-manno-heptose 7-phosphate -is_a: CHEBI:35157 ! aldoheptose phosphate -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75023 +name: Ins-1-P-6-Man-1-2-Ins-1-P-Cer C(2-) +is_a: CHEBI:74997 ! Ins-1-P-6-Man-1-2-Ins-1-P-Cer(2-) [Term] -id: CHEBI:28747 -name: picolinic acid -is_a: CHEBI:26420 ! pyridinemonocarboxylic acid -relationship: has_role CHEBI:64345 ! MALDI matrix material -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75026 +name: 1-stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66855 ! phosphatidylcholine 34:0 +is_a: CHEBI:75279 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:28748 -name: doxorubicin -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:25830 ! p-quinones -is_a: CHEBI:35315 ! deoxy hexoside -is_a: CHEBI:47779 ! aminoglycoside -is_a: CHEBI:48120 ! anthracycline -is_a: CHEBI:49322 ! anthracycline antibiotic -is_a: CHEBI:51286 ! tetracenequinones -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75028 +name: 1-(alpha,beta-saturated alkyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60520 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:28749 -name: aryl beta-D-glucoside -is_a: CHEBI:22798 ! beta-D-glucoside +id: CHEBI:75029 +name: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72058 ! phosphatidylserine 34:1(1-) [Term] -id: CHEBI:28757 -name: fructose -is_a: CHEBI:24973 ! ketohexose -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75031 +name: 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72059 ! phosphatidylserine 34:2(1-) [Term] -id: CHEBI:28763 -name: 4,4'-dichlorodiphenylmethane -is_a: CHEBI:23156 ! chlorophenylmethane -is_a: CHEBI:83403 ! monochlorobenzenes +id: CHEBI:75032 +name: 1-palmitoyl-2-arachidonoyl-sn-glycero3-phosphoserine(1-) +is_a: CHEBI:72068 ! phosphatidylserine 36:4(1-) [Term] -id: CHEBI:28765 -name: phosphatidylinositol phosphate -is_a: CHEBI:18179 ! phosphoinositide +id: CHEBI:75034 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58293 ! 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine +is_a: CHEBI:84818 ! 1-octadecanoyl-2-octadecenoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:28767 -name: 2-deoxy-D-ribose 1,5-bisphosphate -is_a: CHEBI:19568 ! 2-deoxyribose bisphosphate +id: CHEBI:75036 +name: 1-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64381 ! 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72387 ! lysophosphatidylethanolamine zwitterion 18:0 [Term] -id: CHEBI:28768 -name: p-cymene -is_a: CHEBI:27024 ! toluenes -is_a: CHEBI:35187 ! monoterpene -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:84087 ! human urinary metabolite +id: CHEBI:75038 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71727 ! phosphatidylethanolamine 36:1 zwitterion [Term] -id: CHEBI:28787 -name: nitroglycerin -is_a: CHEBI:25560 ! nitroglycerol -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:50266 ! prodrug -relationship: has_role CHEBI:50566 ! nitric oxide donor -relationship: has_role CHEBI:51371 ! muscle relaxant -relationship: has_role CHEBI:63490 ! explosive -relationship: has_role CHEBI:66993 ! tocolytic agent +id: CHEBI:75050 +name: chromogenic compound +is_a: CHEBI:50411 ! one-colour indicator [Term] -id: CHEBI:28790 -name: serotonin -is_a: CHEBI:25375 ! monoamine molecular messenger -is_a: CHEBI:27162 ! tryptamines +id: CHEBI:75051 +name: 2-amino-5-chlorophenol is_a: CHEBI:33853 ! phenols is_a: CHEBI:50994 ! primary amino compound -is_a: CHEBI:84729 ! hydroxyindoles -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +is_a: CHEBI:83403 ! monochlorobenzenes [Term] -id: CHEBI:28793 -name: beta-D-glucan -is_a: CHEBI:37163 ! glucan +id: CHEBI:75052 +name: 3-dehydro-D-glucose-6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:28796 -name: fructan -is_a: CHEBI:37164 ! homopolysaccharide +id: CHEBI:75057 +name: 2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:28800 -name: N-acetylgalactosamine -is_a: CHEBI:21655 ! N-acylgalactosamine -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:75061 +name: trans-2-icosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:28802 -name: flavonols -is_a: CHEBI:24698 ! hydroxyflavone +id: CHEBI:75062 +name: 1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:65303 ! phosphatidylcholine 30:0 +is_a: CHEBI:75279 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:28807 -name: dITP -is_a: CHEBI:23630 ! deoxyinosine phosphate -is_a: CHEBI:37042 ! purine 2'-deoxyribonucleoside 5'-triphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75063 +name: 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:28808 -name: mannan -is_a: CHEBI:37164 ! homopolysaccharide -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75064 +name: trans-2-docosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:28813 -name: sinapyl alcohol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:51681 ! dimethoxybenzene -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75065 +name: 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:28815 -name: heparan sulfate -is_a: CHEBI:35721 ! heparan sulfates -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75066 +name: 1-acyl-2-linoleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:28817 -name: dodecane -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75067 +name: 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:28826 -name: fluoromethane -is_a: CHEBI:25253 ! methyl halides -is_a: CHEBI:39281 ! fluoromethanes -is_a: CHEBI:46695 ! fluorohydrocarbon -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:75068 +name: trans-2-tetracosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:28829 -name: aminophenol -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:48975 ! substituted aniline +id: CHEBI:75069 +name: 1-acyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:28831 -name: propan-1-ol -is_a: CHEBI:26279 ! propan-1-ols -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:48356 ! protic solvent +id: CHEBI:7507 +name: neomycin +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:22507 ! aminoglycoside antibiotic +relationship: has_part CHEBI:53634 ! neomycin C +relationship: has_part CHEBI:7489 ! neamine +relationship: has_part CHEBI:7508 ! framycetin [Term] -id: CHEBI:28837 -name: octanoic acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -is_a: CHEBI:59554 ! medium-chain fatty acid -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75070 +name: 1-palmitoleoyl-sn-glycerol 3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28842 -name: octadecanoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:26607 ! saturated fatty acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:75074 +name: 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28846 -name: dCDP -is_a: CHEBI:37037 ! pyrimidine 2'-deoxyribonucleoside 5'-diphosphate -is_a: CHEBI:37092 ! 2'-deoxycytidine phosphate -relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75075 +name: 2,3-bis-O-phytanyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:84135 ! L-serine derivative [Term] -id: CHEBI:28850 -name: dUDP -is_a: CHEBI:23641 ! deoxyuridine phosphate -is_a: CHEBI:37037 ! pyrimidine 2'-deoxyribonucleoside 5'-diphosphate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75076 +name: 1-oleoyl-2-lauroyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64865 ! 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:28851 -name: phenanthrene -is_a: CHEBI:25961 ! phenanthrenes -is_a: CHEBI:35296 ! ortho-fused polycyclic arene -is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:75077 +name: N(1)-methylpseudouridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28854 -name: 2,4-D -is_a: CHEBI:23152 ! chlorophenoxyacetic acid -is_a: CHEBI:23697 ! dichlorobenzene -relationship: has_role CHEBI:23582 ! defoliant -relationship: has_role CHEBI:26841 ! synthetic auxin -relationship: has_role CHEBI:33286 ! agrochemical -relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:75078 +name: N(1)-methylpseudouridine 5'-monophosphate +is_a: CHEBI:37040 ! C-nucleoside phosphate [Term] -id: CHEBI:28855 -name: enterobactin -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:37409 ! crown compound -is_a: CHEBI:51026 ! macrocycle -relationship: has_role CHEBI:26672 ! siderophore -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75079 +name: N(3)-methylcytidine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28856 -name: p-toluate -is_a: CHEBI:27021 ! toluate +id: CHEBI:7508 +name: framycetin +is_a: CHEBI:47779 ! aminoglycoside +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:50904 ! allergen +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:28862 -name: dGDP -is_a: CHEBI:23625 ! deoxyguanosine phosphate -is_a: CHEBI:37036 ! purine 2'-deoxyribonucleoside 5'-diphosphate -is_a: CHEBI:63573 ! guanyl deoxyribonucleotide -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75083 +name: N(3)-methylcytidine 5'-monophosphate +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:28864 -name: tobramycin -is_a: CHEBI:22479 ! amino cyclitol glycoside -relationship: has_role CHEBI:27026 ! toxin -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:33282 ! antibacterial agent +id: CHEBI:75085 +name: N(4)-acetylcytidine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:28866 -name: tetracosanoic acid -is_a: CHEBI:27283 ! very long-chain fatty acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83146 ! Daphnia tenebrosa metabolite +id: CHEBI:75091 +name: aclacinomycin N +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:63571 ! trisaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:28868 -name: fatty acid anion -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:75093 +name: aclacinomycin Y +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63571 ! trisaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] -id: CHEBI:28869 -name: menadione -is_a: CHEBI:132142 ! 1,4-naphthoquinones -relationship: has_role CHEBI:50733 ! nutraceutical +id: CHEBI:75096 +name: 1-oleoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:137156 ! phosphatidylserine(18:1/18:2) [Term] -id: CHEBI:28874 -name: phosphatidylinositol -is_a: CHEBI:36315 ! glycerophosphoinositol +id: CHEBI:75099 +name: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine [Term] -id: CHEBI:28875 -name: tetradecanoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:7510 +name: neopinone +is_a: CHEBI:25418 ! morphinane alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound [Term] -id: CHEBI:28880 -name: (S)-mevalonic acid -is_a: CHEBI:25351 ! mevalonic acid +id: CHEBI:75101 +name: 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine [Term] -id: CHEBI:28881 -name: 2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose -is_a: CHEBI:47978 ! N-acetylmuramate +id: CHEBI:75103 +name: 1-oleoyl-2-stearoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine [Term] -id: CHEBI:28885 -name: butan-1-ol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:50584 ! alkyl alcohol -relationship: has_role CHEBI:48356 ! protic solvent -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75104 +name: 1-oleoyl-2-nonadecanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28887 -name: dimethyl ether -is_a: CHEBI:25698 ! ether +id: CHEBI:75105 +name: nonadecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:28890 -name: coenzyme B -is_a: CHEBI:84189 ! L-threonine derivative -relationship: has_role CHEBI:23354 ! coenzyme +id: CHEBI:75106 +name: 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine [Term] -id: CHEBI:28891 -name: oxanthrene -is_a: CHEBI:23825 ! dibenzodioxine -is_a: CHEBI:36416 ! mancude organic heterotricyclic parent -is_a: CHEBI:36680 ! heteranthrene -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38180 ! polycyclic heteroarene +id: CHEBI:75109 +name: 1-acyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28892 -name: ganglioside -is_a: CHEBI:17761 ! ceramide -is_a: CHEBI:36526 ! acidic glycosphingolipid +id: CHEBI:75110 +name: 1-acyl-2-linoleoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28897 -name: pentadecane -is_a: CHEBI:83563 ! long-chain alkane -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:75767 ! animal metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75111 +name: 1-acyl-sn-glycero-3-phosphoglycerol(1-) +is_a: CHEBI:78211 ! 1-acylglycero-3-phospho-1'-glycerol(1-) [Term] -id: CHEBI:28909 -name: iprodione -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:24628 ! imidazolidine-2,4-dione -is_a: CHEBI:47857 ! ureas -is_a: CHEBI:87068 ! imidazole fungicide -is_a: CHEBI:87197 ! dichlorophenyl dicarboximide fungicide -relationship: has_role CHEBI:25491 ! nematicide -relationship: has_role CHEBI:86328 ! antifungal agrochemical +id: CHEBI:75112 +name: 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28934 -name: vitamin D2 -is_a: CHEBI:27300 ! vitamin D -is_a: CHEBI:36819 ! seco-ergostane -is_a: CHEBI:36853 ! hydroxy seco-steroid -relationship: has_role CHEBI:33288 ! rodenticide -relationship: has_role CHEBI:50646 ! bone density conservation agent -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75116 +name: 1-acyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:28937 -name: (-)-abscisic acid -is_a: CHEBI:22152 ! 2-cis-abscisic acid -relationship: has_role CHEBI:37848 ! plant hormone +id: CHEBI:75118 +name: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:75112 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:28938 -name: ammonium -is_a: CHEBI:35106 ! nitrogen hydride -is_a: CHEBI:35274 ! ammonium ion -is_a: CHEBI:50313 ! onium cation -is_a: CHEBI:60242 ! monovalent inorganic cation -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75121 +name: (11Z)-octadecenoyl-CoA(4-) +is_a: CHEBI:139567 ! octadecenoyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:28940 -name: calciol -is_a: CHEBI:26764 ! steroid hormone -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:36818 ! seco-cholestane -is_a: CHEBI:36853 ! hydroxy seco-steroid -is_a: CHEBI:73558 ! D3 vitamins -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75122 +name: 1-oleoyl-2-(11Z)-octadecenoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28951 -name: (9S,10S)-9,10-dihydrophenanthrene-9,10-diol -is_a: CHEBI:37470 ! trans-9,10-dihydrophenanthrene-9,10-diol +id: CHEBI:75123 +name: (6Z)-octadecenoyl-CoA(4-) +is_a: CHEBI:139567 ! octadecenoyl-CoA(4-) [Term] -id: CHEBI:28963 -name: amino sugar -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:75124 +name: 1-oleoyl-2-(6Z)-octadecenoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:28965 -name: dicarboxylic acid dianion -is_a: CHEBI:35693 ! dicarboxylic acid anion -is_a: CHEBI:38716 ! carboxylic acid dianion +id: CHEBI:75134 +name: 1-oleoyl-2-arachidoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:28966 -name: chlorophyll -is_a: CHEBI:25111 ! magnesium porphyrin +id: CHEBI:75137 +name: 2,2'-dilysocardiolipin(2-) +is_a: CHEBI:76529 ! glycerophosphoglycerophosphoglycerol(2-) [Term] -id: CHEBI:28976 -name: carbonic acid -is_a: CHEBI:35605 ! carbon oxoacid -is_a: CHEBI:36961 ! chalcocarbonic acid -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:75139 +name: 2-oleoyl-2'-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:28984 -name: aluminium atom -is_a: CHEBI:33317 ! boron group element atom -is_a: CHEBI:33521 ! metal atom +id: CHEBI:75140 +name: 2'-oleoylcardiolipin(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:28995 -name: 2,4-dichlorobenzoate -is_a: CHEBI:23133 ! chlorobenzoate -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75141 +name: 1-arachidonoyl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:74917 ! 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:28997 -name: 2'-deoxyinosine -is_a: CHEBI:19254 ! purine 2'-deoxyribonucleoside -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75147 +name: 1-(alk-1-enyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60260 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29005 -name: cyclohexane -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:23453 ! cycloalkane -relationship: has_role CHEBI:48355 ! non-polar solvent +id: CHEBI:75148 +name: 1-(alk-1-enyl)-2-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:17810 ! 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29014 -name: cordycepin -is_a: CHEBI:22260 ! adenosines -is_a: CHEBI:36987 ! 3'-deoxyribonucleoside -relationship: has_role CHEBI:25605 ! nucleoside antibiotic -relationship: has_role CHEBI:35221 ! antimetabolite +id: CHEBI:75150 +name: 3-dehydro-D-glucose-6-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate [Term] -id: CHEBI:29016 -name: arginine -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:50340 ! 3-carbamimidamidopropyl group -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75155 +name: 1-(alk-1-enyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60260 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29021 -name: hexane -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:48355 ! non-polar solvent -relationship: has_role CHEBI:50910 ! neurotoxin +id: CHEBI:75158 +name: 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64840 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29028 -name: glucobrassicin -is_a: CHEBI:24821 ! indolyl carbohydrate -is_a: CHEBI:79364 ! indolylmethylglucosinolic acid +id: CHEBI:75160 +name: 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:64875 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74364 ! phosphatidylinositol 28:0(1-) [Term] -id: CHEBI:29032 -name: (R)-pantothenate -is_a: CHEBI:16454 ! pantothenate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75161 +name: 1-myristoyl-2-oleoyl-sn-glycero-3-phosphatidylglycerol(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:75196 ! phosphatidylglycerol 32:1(1-) [Term] -id: CHEBI:29033 -name: iron(2+) -is_a: CHEBI:24875 ! iron cation -is_a: CHEBI:30412 ! monoatomic dication -is_a: CHEBI:60240 ! divalent metal cation -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75163 +name: 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:75200 ! phosphatidylglycerol 36:2(1-) [Term] -id: CHEBI:29034 -name: iron(3+) -is_a: CHEBI:24875 ! iron cation -is_a: CHEBI:27153 ! monoatomic trication -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75168 +name: 1-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:29017 ! 1-acyl-sn-glycero-3-phosphoethanolamine relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:29036 -name: copper(2+) -is_a: CHEBI:23378 ! copper cation -is_a: CHEBI:30412 ! monoatomic dication -is_a: CHEBI:60240 ! divalent metal cation +id: CHEBI:75169 +name: 1-oleoyl-2-arachidonoyl-sn-glycerol-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:29057 -name: keratan -is_a: CHEBI:18085 ! glycosaminoglycan +id: CHEBI:75173 +name: 1-acyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29067 -name: carboxylic acid anion -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:35406 ! oxoanion +id: CHEBI:75189 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl group +is_a: CHEBI:25171 ! mannosyl groups [Term] -id: CHEBI:29069 -name: phthalic acid -is_a: CHEBI:26094 ! benzenedicarboxylic acid -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:75190 +name: EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor +is_a: CHEBI:76829 ! EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor [Term] -id: CHEBI:29073 -name: L-ascorbic acid -is_a: CHEBI:22652 ! ascorbic acid -relationship: has_role CHEBI:21241 ! vitamin C -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:27314 ! water-soluble vitamin -relationship: has_role CHEBI:64577 ! flour treatment agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77962 ! food antioxidant +id: CHEBI:75191 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-6-O-phosphonato-alpha-D-mannosyl group(2-) +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:29075 -name: mononucleotide -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:75194 +name: phosphatidylinositol 36:4(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:29084 -name: (2->1)-beta-D-fructan -is_a: CHEBI:28796 ! fructan +id: CHEBI:75195 +name: phosphatidylglycerol 32:0(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29101 -name: sodium(1+) -is_a: CHEBI:25414 ! monoatomic monocation -is_a: CHEBI:33504 ! alkali metal cation -is_a: CHEBI:37246 ! elemental sodium -is_a: CHEBI:60242 ! monovalent inorganic cation -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75196 +name: phosphatidylglycerol 32:1(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29103 -name: potassium(1+) -is_a: CHEBI:25414 ! monoatomic monocation -is_a: CHEBI:33504 ! alkali metal cation -is_a: CHEBI:37247 ! elemental potassium -is_a: CHEBI:60242 ! monovalent inorganic cation -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75199 +name: phosphatidylglycerol 36:1(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29105 -name: zinc(2+) -is_a: CHEBI:30412 ! monoatomic dication -is_a: CHEBI:60240 ! divalent metal cation -is_a: CHEBI:63056 ! zinc cation -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75200 +name: phosphatidylglycerol 36:2(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29118 -name: methanophenazine -is_a: CHEBI:39201 ! phenazines +id: CHEBI:75201 +name: 2-dodecanoyl-2'-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:29125 -name: arsenate(3-) -is_a: CHEBI:22629 ! arsenate ion +id: CHEBI:75203 +name: 2'-lauroylcardiolipin(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:29192 -name: hydrogenperoxide(1-) -is_a: CHEBI:33693 ! oxygen hydride +id: CHEBI:75204 +name: (S)-3,5-dihydroxyphenylglycine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:29195 -name: cyanate -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:36828 ! pseudohalide anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75205 +name: 2'-linoleoylcardiolipin(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:29200 -name: thiocyanic acid -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:33405 ! hydracid -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75207 +name: 2-palmitoyl-2'-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:29202 -name: isocyanic acid -is_a: CHEBI:33405 ! hydracid -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:75208 +name: 2-stearoyl-2'-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:29213 -name: sulfinic acid -is_a: CHEBI:33402 ! sulfur oxoacid +id: CHEBI:75209 +name: 2-linoleoyl-2'-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:29214 -name: sulfonic acid -is_a: CHEBI:33402 ! sulfur oxoacid +id: CHEBI:75210 +name: 3,5-dihydroxyphenylglyoxylate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:29222 -name: hypochlorite -is_a: CHEBI:33437 ! chlorine oxoanion -is_a: CHEBI:37750 ! chlorine oxide -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:75216 +name: 1-O-octadecyl-sn-glycero-3-phosphocholine +is_a: CHEBI:30909 ! 1-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:29228 -name: hydrogen fluoride -is_a: CHEBI:18140 ! hydrogen halide -is_a: CHEBI:37176 ! mononuclear parent hydride +id: CHEBI:75219 +name: 1-palmitoyl-2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:75414 ! platelet-activating factor receptor agonist [Term] -id: CHEBI:29241 -name: silicate(4-) -is_a: CHEBI:48123 ! silicate ion +id: CHEBI:75220 +name: 1-stearoyl-2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29242 -name: arsenite(1-) -is_a: CHEBI:22633 ! arsenite ion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:75230 +name: 12(R)-HPETE(1-) +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:29243 -name: arsenite(2-) -is_a: CHEBI:22633 ! arsenite ion -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:75231 +name: 12-oxo-ETE(1-) +is_a: CHEBI:131859 ! oxo-ETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:29254 -name: dihydrogenborate -is_a: CHEBI:22909 ! borate ion +id: CHEBI:75232 +name: (8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoate +is_a: CHEBI:137328 ! epoxy(hydroxy)icosatrienoate [Term] -id: CHEBI:29255 -name: hydrogenborate -is_a: CHEBI:22909 ! borate ion +id: CHEBI:75233 +name: (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoate +is_a: CHEBI:137328 ! epoxy(hydroxy)icosatrienoate [Term] -id: CHEBI:29256 -name: thiol -is_a: CHEBI:33261 ! organosulfur compound -relationship: has_part CHEBI:29917 ! thiol group +id: CHEBI:75234 +name: (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoate +is_a: CHEBI:137328 ! epoxy(hydroxy)icosatrienoate [Term] -id: CHEBI:29258 -name: dihydrogenphosphite -is_a: CHEBI:26045 ! phosphite ion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:75235 +name: (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoate +is_a: CHEBI:137328 ! epoxy(hydroxy)icosatrienoate [Term] -id: CHEBI:29259 -name: hydrogenphosphite -is_a: CHEBI:26045 ! phosphite ion -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:75238 +name: 1-acyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29264 -name: tRNA(Sec) -is_a: CHEBI:17843 ! transfer RNA +id: CHEBI:75239 +name: 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29277 -name: dinitride(2-) -is_a: CHEBI:33266 ! diatomic nitrogen +id: CHEBI:7524 +name: nerolidol +is_a: CHEBI:36757 ! farnesane sesquiterpenoid [Term] -id: CHEBI:29281 -name: alkyl sulfate -is_a: CHEBI:25704 ! organic sulfate -is_a: CHEBI:26819 ! sulfuric ester +id: CHEBI:75240 +name: 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29287 -name: gold atom -is_a: CHEBI:33366 ! copper group element atom +id: CHEBI:75241 +name: 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:29337 -name: azanide -is_a: CHEBI:35106 ! nitrogen hydride -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:75242 +name: 1-acyl-2-oleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:29340 -name: hydridonitrate(2-) -is_a: CHEBI:35106 ! nitrogen hydride -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:75243 +name: 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:29347 -name: monocarboxylic acid amide -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:75244 +name: aklaviketone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35294 ! carbopolycyclic compound +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:29360 -name: methanediide -is_a: CHEBI:38222 ! hydrocarbyl anion +id: CHEBI:75245 +name: 1-O-octadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:28894 ! 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64480 ! phosphatidylcholine O-38:4 [Term] -id: CHEBI:29369 -name: peroxy group -is_a: CHEBI:33246 ! inorganic group +id: CHEBI:75255 +name: 1-O-(alk-1-enyl)-2-octanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60260 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:29412 -name: oxonium -is_a: CHEBI:33693 ! oxygen hydride -is_a: CHEBI:50313 ! onium cation +id: CHEBI:75256 +name: 1-O-(alk-1-enyl)-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60260 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29438 -name: methanide -is_a: CHEBI:38222 ! hydrocarbyl anion +id: CHEBI:75257 +name: 1-O-(alk-1-enyl)-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60260 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29449 -name: hydrogen azide -is_a: CHEBI:35106 ! nitrogen hydride +id: CHEBI:75263 +name: 1-acyl-2-octanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:29669 -name: pyochelin -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:35622 ! thiazolidines -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:26672 ! siderophore +id: CHEBI:75264 +name: 1-acyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29678 -name: sodium arsenite -is_a: CHEBI:22632 ! arsenic molecular entity -is_a: CHEBI:38702 ! inorganic sodium salt -relationship: has_role CHEBI:24527 ! herbicide -relationship: has_role CHEBI:24852 ! insecticide -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:33288 ! rodenticide -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:50903 ! carcinogenic agent +id: CHEBI:75265 +name: 1-acyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:29699 -name: tunicamycin -is_a: CHEBI:60004 ! mixture -relationship: has_part CHEBI:64228 ! tunicamycin A0 -relationship: has_part CHEBI:64245 ! tunicamycin A1 -relationship: has_part CHEBI:64246 ! tunicamycin A2 -relationship: has_part CHEBI:64248 ! tunicamycin B1 -relationship: has_part CHEBI:64250 ! tunicamycin B2 -relationship: has_part CHEBI:64255 ! tunicamycin B3 -relationship: has_part CHEBI:64256 ! tunicamycin C1 -relationship: has_part CHEBI:64257 ! tunicamycin C2 -relationship: has_part CHEBI:64271 ! tunicamycin D1 -relationship: has_part CHEBI:64272 ! tunicamycin D2 -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:64237 ! EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor +id: CHEBI:75266 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29701 -name: tyrocidine A -is_a: CHEBI:24613 ! homodetic cyclic peptide -is_a: CHEBI:25903 ! peptide antibiotic -is_a: CHEBI:51026 ! macrocycle -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75268 +name: 1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29744 -name: lithocholate -is_a: CHEBI:131878 ! cholanic acid anion -is_a: CHEBI:36235 ! bile acid anion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75279 +name: 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29748 -name: chorismate(2-) -is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75280 +name: 1-acyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:29749 -name: ferulate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:75282 +name: ergosterol biosynthesis inhibitor +is_a: CHEBI:83317 ! sterol biosynthesis inhibitor [Term] -id: CHEBI:29754 -name: arsonate(2-) -is_a: CHEBI:35776 ! arsenic oxoanion +id: CHEBI:75284 +name: (R)-2-(4-chloro-2-methylphenoxy)propanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:29785 -name: nitro group -is_a: CHEBI:33246 ! inorganic group -is_a: CHEBI:51144 ! nitrogen group +id: CHEBI:75285 +name: (S)-2-(4-chloro-2-methylphenoxy)propanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:29792 -name: hydroperoxy group -is_a: CHEBI:33246 ! inorganic group +id: CHEBI:75287 +name: (S)-dichlorprop(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:29793 -name: hydridodioxygen(1+) -is_a: CHEBI:33693 ! oxygen hydride +id: CHEBI:75288 +name: (R)-dichlorprop(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:29805 -name: glycolate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:75289 +name: 1-O-(alk-1-enyl)-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:17810 ! 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29806 -name: fumarate(2-) -is_a: CHEBI:36180 ! butenedioate -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75290 +name: 1-O-octadecyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29850 -name: arsonic acid -is_a: CHEBI:50955 ! arsonic acids +id: CHEBI:75291 +name: epsilon-rhodomycinone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35294 ! carbopolycyclic compound +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51286 ! tetracenequinones [Term] -id: CHEBI:29864 -name: mannitol -is_a: CHEBI:24583 ! hexitol -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75294 +name: 1-icosanoyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66858 ! phosphatidylcholine 36:0 +is_a: CHEBI:75279 ! 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:29866 -name: arsenite(3-) -is_a: CHEBI:22633 ! arsenite ion -is_a: CHEBI:79387 ! trivalent inorganic anion +id: CHEBI:75296 +name: 13-dihydrodaunorubicin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:29917 -name: thiol group -is_a: CHEBI:33246 ! inorganic group +id: CHEBI:75297 +name: 13-deoxydaunorubicin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:29919 -name: hydrosulfide -is_a: CHEBI:33535 ! sulfur hydride -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75300 +name: 1-palmitoyl-2-decanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:72423 ! phosphatidylcholine 26:0 +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:29922 -name: sulfo group -is_a: CHEBI:33246 ! inorganic group +id: CHEBI:75301 +name: 1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87656 ! hexanoate ester [Term] -id: CHEBI:29924 -name: hydrogenselenite -is_a: CHEBI:33488 ! selenium oxoanion +id: CHEBI:75302 +name: 1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine +is_a: CHEBI:85564 ! phosphatidylcholine 24:0 +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:29934 -name: (1s,4s)-prephenate(2-) -is_a: CHEBI:57852 ! prephenate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75304 +name: 1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:65303 ! phosphatidylcholine 30:0 +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:29959 -name: quinolinate(2-) -is_a: CHEBI:132942 ! quinolinate -is_a: CHEBI:36173 ! pyridinedicarboxylate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75305 +name: glutamine hydroxamate +is_a: CHEBI:24315 ! glutamic acid derivative +is_a: CHEBI:24650 ! hydroxamic acid [Term] -id: CHEBI:29967 -name: L-lysine residue -is_a: CHEBI:32568 ! lysine residue -is_a: CHEBI:33700 ! proteinogenic amino-acid residue -is_a: CHEBI:83228 ! L-alpha-amino acid residue +id: CHEBI:75306 +name: 2-heptyl-4-hydroxyquinoline +is_a: CHEBI:38775 ! monohydroxyquinoline +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:38157 ! iron chelator +relationship: has_role CHEBI:62488 ! signalling molecule [Term] -id: CHEBI:29968 -name: D-lysine residue -is_a: CHEBI:32568 ! lysine residue +id: CHEBI:75308 +name: 19-oxotestosterone +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen [Term] -id: CHEBI:29969 -name: L-lysinium residue -is_a: CHEBI:32579 ! lysinium residue -is_a: CHEBI:33727 ! proteinogenic amino-acid residue cation +id: CHEBI:75309 +name: aklanonate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion [Term] -id: CHEBI:29970 -name: D-lysinium residue -is_a: CHEBI:32579 ! lysinium residue +id: CHEBI:75311 +name: methyl aklanonate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37484 ! dihydroxyanthraquinone [Term] -id: CHEBI:29985 -name: L-glutamate(1-) -is_a: CHEBI:14321 ! glutamate(1-) -is_a: CHEBI:62031 ! polar amino acid zwitterion -relationship: has_role CHEBI:24319 ! EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75320 +name: 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:38436 ! muconic semialdehyde +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:29986 -name: D-glutamate(1-) -is_a: CHEBI:14321 ! glutamate(1-) +id: CHEBI:75322 +name: 8(S)-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion [Term] -id: CHEBI:29987 -name: glutamate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75325 +name: cathartic +is_a: CHEBI:52208 ! biophysical role [Term] -id: CHEBI:29988 -name: L-glutamate(2-) -is_a: CHEBI:29987 ! glutamate(2-) -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:75326 +name: 8-oxo-ETE(1-) +is_a: CHEBI:131859 ! oxo-ETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:29989 -name: D-glutamate(2-) -is_a: CHEBI:29987 ! glutamate(2-) +id: CHEBI:75327 +name: (8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoate +is_a: CHEBI:137328 ! epoxy(hydroxy)icosatrienoate [Term] -id: CHEBI:29990 -name: D-aspartate(1-) -is_a: CHEBI:35391 ! aspartate(1-) -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75332 +name: nonadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:29991 -name: L-aspartate(1-) -is_a: CHEBI:35391 ! aspartate(1-) -is_a: CHEBI:62031 ! polar amino acid zwitterion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75341 +name: (8E,10S)-10-hydroperoxy-8-octadecenoate +is_a: CHEBI:133557 ! hydroperoxyoctadecenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion [Term] -id: CHEBI:29993 -name: L-aspartate(2-) -is_a: CHEBI:29995 ! aspartate(2-) -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75342 +name: 1-oleoylglycerol +is_a: CHEBI:134130 ! 1-acylglycerol 18:1 +is_a: CHEBI:75937 ! monooleoylglycerol +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:29994 -name: D-aspartate(2-) -is_a: CHEBI:29995 ! aspartate(2-) +id: CHEBI:75346 +name: (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:29995 -name: aspartate(2-) -is_a: CHEBI:132943 ! aspartate -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75348 +name: (8E,10S,12Z,15Z)-10-hydroperoxyoctadec-8,12,15-trienoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:30023 -name: trans-sinapate -is_a: CHEBI:36091 ! cinnamates -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75354 +name: (11Z)-octadecenoyl-CoA +is_a: CHEBI:139574 ! octadecenoyl-CoA [Term] -id: CHEBI:30031 -name: succinate(2-) -is_a: CHEBI:26806 ! succinate -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75357 +name: 1-oleoyl-2-(11Z)-octadecenoyl-sn-glycero-3-phosphate +is_a: CHEBI:134237 ! phosphatidic acid 36:2 +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:30049 -name: teichoic acid -is_a: CHEBI:65212 ! polysaccharide derivative +id: CHEBI:75360 +name: (6Z)-octadecenoyl-CoA +is_a: CHEBI:139574 ! octadecenoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:30088 -name: gibberellin A12 -is_a: CHEBI:20859 ! C20-gibberellin -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:75363 +name: 1-oleoyl-2-(6Z)-octadecenoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:30089 -name: acetate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75370 +name: 2-(2,4-dichlorophenoxy)propanoic acid +is_a: CHEBI:23697 ! dichlorobenzene +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35618 ! aromatic ether [Term] -id: CHEBI:30096 -name: diazene -is_a: CHEBI:35106 ! nitrogen hydride +id: CHEBI:75373 +name: (R)-dichlorprop +is_a: CHEBI:75370 ! 2-(2,4-dichlorophenoxy)propanoic acid +relationship: has_role CHEBI:24527 ! herbicide +relationship: has_role CHEBI:26841 ! synthetic auxin +relationship: has_role CHEBI:33286 ! agrochemical +relationship: has_role CHEBI:75380 ! EC 1.11.1.6 (catalase) inhibitor [Term] -id: CHEBI:30103 -name: diazenide -is_a: CHEBI:35106 ! nitrogen hydride +id: CHEBI:75374 +name: (S)-dichlorprop +is_a: CHEBI:75370 ! 2-(2,4-dichlorophenoxy)propanoic acid [Term] -id: CHEBI:30106 -name: azo group -is_a: CHEBI:33246 ! inorganic group +id: CHEBI:75376 +name: 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64845 ! 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:3015 -name: benomyl -is_a: CHEBI:22715 ! benzimidazoles -is_a: CHEBI:23003 ! carbamate ester -is_a: CHEBI:62733 ! aromatic amide -is_a: CHEBI:87036 ! benzimidazole fungicide -is_a: CHEBI:87064 ! benzimidazolylcarbamate fungicide -relationship: has_role CHEBI:22153 ! acaricide -relationship: has_role CHEBI:35443 ! anthelminthic drug -relationship: has_role CHEBI:60832 ! tubulin modulator -relationship: has_role CHEBI:61951 ! microtubule-destabilising agent -relationship: has_role CHEBI:86328 ! antifungal agrochemical +id: CHEBI:75378 +name: 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:64890 ! 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:30156 -name: 6,7-dihydropteridine -is_a: CHEBI:13614 ! 6,7-dihydropteridines +id: CHEBI:75380 +name: EC 1.11.1.6 (catalase) inhibitor +is_a: CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor [Term] -id: CHEBI:30200 -name: kaempferol 3-O-beta-D-glucoside -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:27116 ! trihydroxyflavone -is_a: CHEBI:63367 ! monosaccharide derivative -is_a: CHEBI:64634 ! kaempferol O-glucoside -relationship: has_role CHEBI:36335 ! trypanocidal drug -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75381 +name: EC 1.11.1.* (peroxidases) inhibitor +is_a: CHEBI:76738 ! EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor [Term] -id: CHEBI:30212 -name: photon -is_a: CHEBI:36341 ! boson +id: CHEBI:75385 +name: 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:30245 -name: linoleate -is_a: CHEBI:25626 ! octadecadienoate -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:7539 +name: 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid +is_a: CHEBI:49018 ! neuraminic acid [Term] -id: CHEBI:30256 -name: thiocarbonyl group -is_a: CHEBI:51422 ! organodiyl group +id: CHEBI:75397 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannose +is_a: CHEBI:22484 ! galactosamine oligosaccharide +is_a: CHEBI:22485 ! glucosamine oligosaccharide +is_a: CHEBI:59266 ! amino trisaccharide [Term] -id: CHEBI:30260 -name: cyromazine -is_a: CHEBI:38175 ! triamino-1,3,5-triazine -relationship: has_role CHEBI:38060 ! triazine insecticide -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:7540 +name: neurosporaxanthin +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:53185 ! apo carotenoid C35 terpenoid [Term] -id: CHEBI:30297 -name: antimonite -is_a: CHEBI:36921 ! antimony oxoanion -is_a: CHEBI:79387 ! trivalent inorganic anion +id: CHEBI:75402 +name: 2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone +is_a: CHEBI:26253 ! polyprenylhydroquinone +is_a: CHEBI:64532 ! dihydroxytoluene [Term] -id: CHEBI:30313 -name: lipoate -is_a: CHEBI:59848 ! thia fatty acid anion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75406 +name: 2-methyl-6-phytylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:64532 ! dihydroxytoluene [Term] -id: CHEBI:30353 -name: isopropyl group -is_a: CHEBI:22323 ! alkyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:75407 +name: 2,3-dimethyl-6-phytylhydroquinone +is_a: CHEBI:24646 ! hydroquinones [Term] -id: CHEBI:30356 -name: isobutyl group -is_a: CHEBI:22323 ! alkyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:75411 +name: 2-methyl-6-geranylgeranyl-1,4-benzoquinol +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:26253 ! polyprenylhydroquinone [Term] -id: CHEBI:30362 -name: isopentane -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:75412 +name: 2,3-dimethyl-6-geranylgeranyl-1,4-benzoquinol +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:26253 ! polyprenylhydroquinone [Term] -id: CHEBI:30363 -name: isobutane -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:78017 ! food propellant -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:75414 +name: platelet-activating factor receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:30408 -name: iron-sulfur cluster -is_a: CHEBI:25214 ! metal-sulfur cluster -is_a: CHEBI:33892 ! iron coordination entity +id: CHEBI:75416 +name: EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor +is_a: CHEBI:76706 ! EC 6.1.* (C-O bond-forming ligase) inhibitor [Term] -id: CHEBI:30409 -name: iron-sulfur-molybdenum cofactor -is_a: CHEBI:35202 ! molybdenum coordination entity -relationship: has_part CHEBI:48796 ! iron-sulfur-molybdenum cluster -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:75431 +name: ghrelin +is_a: CHEBI:15841 ! polypeptide +is_a: CHEBI:25905 ! peptide hormone +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50779 ! appetite enhancer +relationship: has_role CHEBI:50855 ! antiatherogenic agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:30411 -name: cobalamin -is_a: CHEBI:23334 ! cobalamins -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:26348 ! prosthetic group -relationship: has_role CHEBI:75769 ! B vitamin +id: CHEBI:75434 +name: phytyl diphosphate(3-) +is_a: CHEBI:58404 ! (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-) [Term] -id: CHEBI:30412 -name: monoatomic dication -is_a: CHEBI:23906 ! monoatomic cation +id: CHEBI:75443 +name: 1-butyryl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:50477 ! butyrate ester [Term] -id: CHEBI:30413 -name: heme -is_a: CHEBI:25216 ! metalloporphyrin -is_a: CHEBI:33892 ! iron coordination entity -is_a: CHEBI:33909 ! metallotetrapyrrole -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:26348 ! prosthetic group +id: CHEBI:75447 +name: 1-oleoyl-2-palmitoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:76065 ! 1-oleoyl-2-palmitoylglycerol [Term] -id: CHEBI:30436 -name: tetrahydropterin -is_a: CHEBI:26375 ! pterins +id: CHEBI:75448 +name: 1-oleoyl-2-stearoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:30452 -name: tellurium atom -is_a: CHEBI:137980 ! metalloid atom -is_a: CHEBI:33303 ! chalcogen +id: CHEBI:75449 +name: 1-oleoyl-2-arachidonoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:30465 -name: tellurous acid -is_a: CHEBI:33519 ! tellurium oxoacid +id: CHEBI:75450 +name: 1-oleoyl-2-linoleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:30477 -name: tellurite -is_a: CHEBI:33520 ! tellurium oxoanion +id: CHEBI:75455 +name: 2-palmitoylglycerol +is_a: CHEBI:134138 ! 2-acylglycerol 16:0 +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:30488 -name: sulfonium -is_a: CHEBI:26830 ! sulfonium compound -is_a: CHEBI:33535 ! sulfur hydride -is_a: CHEBI:50313 ! onium cation +id: CHEBI:75456 +name: 2-stearoylglycerol +is_a: CHEBI:134140 ! 2-acylglycerol 18:0 [Term] -id: CHEBI:30512 -name: silver atom -is_a: CHEBI:33366 ! copper group element atom +id: CHEBI:75457 +name: 2-linoleoylglycerol +is_a: CHEBI:134142 ! 2-acylglycerol 18:2 [Term] -id: CHEBI:30513 -name: antimony atom -is_a: CHEBI:137980 ! metalloid atom -is_a: CHEBI:33300 ! pnictogen +id: CHEBI:75462 +name: 1-octanoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:30514 -name: caesium atom -is_a: CHEBI:22314 ! alkali metal atom +id: CHEBI:75463 +name: 1-lauroyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:75579 ! 1-lauroyl-2-oleoylglycerol +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:30526 -name: 1-aminocyclopropanecarboxylate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75465 +name: 1-myristoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:75582 ! 1-myristoyl-2-oleoylglycerol +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:30527 -name: flavin -is_a: CHEBI:38925 ! benzopteridine +id: CHEBI:75466 +name: 1-palmitoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:75585 ! 1-palmitoyl-2-oleoylglycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:30528 -name: vanadium oxoanion -is_a: CHEBI:35166 ! vanadium coordination entity -is_a: CHEBI:35405 ! transition element oxoanion +id: CHEBI:75468 +name: 1-octadecanoyl-2-[(9Z)-octadecenoyl]-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:75590 ! 1-stearoyl-2-oleoylglycerol +is_a: CHEBI:86980 ! diacylglycerol 36:1 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:30531 -name: pimelic acid -is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:75470 +name: 1-icosanoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:30563 -name: silicon dioxide -is_a: CHEBI:33327 ! silicon oxide +id: CHEBI:75471 +name: 1-linoleoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:75614 ! 1-linoleoyl-2-oleoylglycerol [Term] -id: CHEBI:30566 -name: gamma-aminobutyrate -is_a: CHEBI:71666 ! gamma-amino acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75472 +name: 1-arachidonoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:75611 ! 1-arachidonoyl-2-oleoylglycerol [Term] -id: CHEBI:305790 -name: thyroxine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:75480 +name: Ins-1-P-Cer-A 42:0(1-) +is_a: CHEBI:74503 ! Ins-1-P-Cer-A(1-) [Term] -id: CHEBI:30584 -name: silicon(4+) -is_a: CHEBI:26937 ! monoatomic tetracation -is_a: CHEBI:37763 ! elemental silicon +id: CHEBI:75481 +name: Ins-1-P-Cer-A 44:0(1-) +is_a: CHEBI:74503 ! Ins-1-P-Cer-A(1-) [Term] -id: CHEBI:30612 -name: D-glucarate(2-) -is_a: CHEBI:30613 ! glucarate(2-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75483 +name: phytyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:30613 -name: glucarate(2-) -is_a: CHEBI:48914 ! glucaric acid anion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75504 +name: pyranoside +is_a: CHEBI:24400 ! glycoside [Term] -id: CHEBI:30616 -name: ATP(4-) -is_a: CHEBI:61557 ! nucleoside triphosphate(4-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75507 +name: 3-dehydropyranoside +is_a: CHEBI:50860 ! organic molecular entity + +[Term] +id: CHEBI:75522 +name: beta-L-galactose 1-phosphate(2-) +is_a: CHEBI:58908 ! L-galactose 1-phosphate(2-) relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] -id: CHEBI:30617 -name: MgATP(2-) -is_a: CHEBI:33976 ! magnesium coordination entity +id: CHEBI:75524 +name: 2,3-diacyl-sn-glycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:30623 -name: oxalate(2-) -is_a: CHEBI:132952 ! oxalate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:75525 +name: D-galactopyranuronate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:30633 -name: L-pipecolate -is_a: CHEBI:36110 ! pipecolate -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75528 +name: 3-lauroyl-sn-glycerol +is_a: CHEBI:64760 ! 3-acyl-sn-glycerol +is_a: CHEBI:75539 ! 1-monolauroylglycerol +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:30653 -name: homoserine -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:75529 +name: 1-lauroyl-sn-glycerol +is_a: CHEBI:64683 ! 1-acyl-sn-glycerol +is_a: CHEBI:75539 ! 1-monolauroylglycerol [Term] -id: CHEBI:30654 -name: D-homoserine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:30653 ! homoserine +id: CHEBI:75533 +name: 3-lauroyl-2-oleoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:75579 ! 1-lauroyl-2-oleoylglycerol +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:30659 -name: D-thyroxine -is_a: CHEBI:30660 ! thyroxine -is_a: CHEBI:84124 ! D-tyrosine derivative +id: CHEBI:75536 +name: 1-myristoyl-sn-glycerol +is_a: CHEBI:64683 ! 1-acyl-sn-glycerol +is_a: CHEBI:75562 ! 1-monomyristoylglycerol [Term] -id: CHEBI:30660 -name: thyroxine -is_a: CHEBI:24863 ! iodophenol -is_a: CHEBI:24864 ! iodothyronine -is_a: CHEBI:53291 ! 2-halophenol -is_a: CHEBI:62761 ! tyrosine derivative -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:52290 ! mitogen +id: CHEBI:75537 +name: 3-myristoyl-sn-glycerol +is_a: CHEBI:64760 ! 3-acyl-sn-glycerol +is_a: CHEBI:75562 ! 1-monomyristoylglycerol [Term] -id: CHEBI:30661 -name: thyronine -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:62761 ! tyrosine derivative -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:75539 +name: 1-monolauroylglycerol +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:30744 -name: oxaloacetic acid -is_a: CHEBI:36145 ! oxo dicarboxylic acid -is_a: CHEBI:66873 ! C4-dicarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:75540 +name: 2-oleoyl-3-myristoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:75582 ! 1-myristoyl-2-oleoylglycerol +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:30745 -name: phenylacetic acid -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:25384 ! monocarboxylic acid -relationship: has_role CHEBI:22676 ! auxin -relationship: has_role CHEBI:27026 ! toxin -relationship: has_role CHEBI:35219 ! plant growth retardant -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76956 ! Aspergillus metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:90318 ! EC 6.4.1.1 (pyruvate carboxylase) inhibitor +id: CHEBI:75542 +name: 1-hexadecanoyl-sn-glycerol +is_a: CHEBI:64683 ! 1-acyl-sn-glycerol +is_a: CHEBI:69081 ! 1-monopalmitoylglycerol +is_a: CHEBI:87251 ! monoacylglycerol 16:0 [Term] -id: CHEBI:30746 -name: benzoic acid -is_a: CHEBI:22723 ! benzoic acids -relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor -relationship: has_role CHEBI:65001 ! EC 3.1.1.3 (triacylglycerol lipase) inhibitor -relationship: has_role CHEBI:65256 ! antimicrobial food preservative -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:84735 ! algal metabolite -relationship: has_role CHEBI:88188 ! drug allergen +id: CHEBI:75545 +name: 2-keto-3-deoxy-L-galactonate +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:30748 -name: 2,4-dichlorobenzoic acid -is_a: CHEBI:23134 ! chlorobenzoic acid -is_a: CHEBI:23697 ! dichlorobenzene -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75546 +name: 2-oleoyl-3-palmitoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:75585 ! 1-palmitoyl-2-oleoylglycerol [Term] -id: CHEBI:30751 -name: formic acid -is_a: CHEBI:25384 ! monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:46787 ! solvent -relationship: has_role CHEBI:48356 ! protic solvent -relationship: has_role CHEBI:74783 ! astringent +id: CHEBI:75547 +name: 1-monodecanoylglycerol +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:90605 ! monodecanoylglycerol [Term] -id: CHEBI:30753 -name: 4-aminobenzoic acid -is_a: CHEBI:22495 ! aminobenzoic acid +id: CHEBI:75550 +name: 1-stearoyl-sn-glycerol +is_a: CHEBI:64683 ! 1-acyl-sn-glycerol +is_a: CHEBI:75555 ! 1-monostearoylglycerol relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:30754 -name: anthranilic acid -is_a: CHEBI:22495 ! aminobenzoic acid -relationship: has_role CHEBI:27314 ! water-soluble vitamin -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75553 +name: 3-stearoyl-sn-glycerol +is_a: CHEBI:64760 ! 3-acyl-sn-glycerol +is_a: CHEBI:75555 ! 1-monostearoylglycerol [Term] -id: CHEBI:30762 -name: salicylate -is_a: CHEBI:25388 ! monohydroxybenzoate -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75555 +name: 1-monostearoylglycerol +is_a: CHEBI:134129 ! 1-acylglycerol 18:0 +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:30765 -name: tropic acid -is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:75558 +name: 2-oleoyl-3-stearoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:75590 ! 1-stearoyl-2-oleoylglycerol [Term] -id: CHEBI:30766 -name: (S)-tropic acid -is_a: CHEBI:30765 ! tropic acid +id: CHEBI:75561 +name: 1-linoleoyl-sn-glycerol +is_a: CHEBI:64683 ! 1-acyl-sn-glycerol +is_a: CHEBI:75568 ! 1-monolinolein [Term] -id: CHEBI:30767 -name: (R)-tropic acid -is_a: CHEBI:30765 ! tropic acid +id: CHEBI:75562 +name: 1-monomyristoylglycerol +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite [Term] -id: CHEBI:30768 -name: propionic acid -is_a: CHEBI:26607 ! saturated fatty acid -is_a: CHEBI:26666 ! short-chain fatty acid -relationship: has_role CHEBI:86327 ! antifungal drug +id: CHEBI:75563 +name: 3-linoleoyl-sn-glycerol +is_a: CHEBI:64760 ! 3-acyl-sn-glycerol +is_a: CHEBI:75568 ! 1-monolinolein [Term] -id: CHEBI:30769 -name: citric acid -is_a: CHEBI:27093 ! tricarboxylic acid -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:38161 ! chelator -relationship: has_role CHEBI:64049 ! food acidity regulator -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75568 +name: 1-monolinolein +is_a: CHEBI:134131 ! 1-acylglycerol 18:2 +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:30772 -name: butyric acid -is_a: CHEBI:140601 ! fatty acid 4:0 -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite -relationship: has_role CHEBI:84087 ! human urinary metabolite +id: CHEBI:75569 +name: 3-linoleoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:75614 ! 1-linoleoyl-2-oleoylglycerol [Term] -id: CHEBI:30776 -name: hexanoic acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -is_a: CHEBI:59554 ! medium-chain fatty acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75571 +name: 3-arachidonoyl-sn-glycerol +is_a: CHEBI:64760 ! 3-acyl-sn-glycerol +is_a: CHEBI:75612 ! 1-arachidonoylglycerol [Term] -id: CHEBI:30778 -name: gallic acid -is_a: CHEBI:27115 ! trihydroxybenzoic acid -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor -relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor -relationship: has_role CHEBI:68495 ! apoptosis inducer -relationship: has_role CHEBI:74783 ! astringent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:75573 +name: 2-oleoyl-3-arachidonoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:75611 ! 1-arachidonoyl-2-oleoylglycerol + +[Term] +id: CHEBI:75579 +name: 1-lauroyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride +is_a: CHEBI:87659 ! dodecanoate ester + +[Term] +id: CHEBI:75582 +name: 1-myristoyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride +is_a: CHEBI:85687 ! diacylglycerol 32:1 +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite + +[Term] +id: CHEBI:75583 +name: 1,2-dioleoyl-3-palmitoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol +is_a: CHEBI:75848 ! 1,2-dioleoyl-3-palmitoylglycerol [Term] -id: CHEBI:30779 -name: succinate(1-) -is_a: CHEBI:26806 ! succinate -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75584 +name: palmityl palmitate +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:30780 -name: maleate(2-) -is_a: CHEBI:132951 ! maleate -is_a: CHEBI:36180 ! butenedioate -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75585 +name: 1-palmitoyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:30794 -name: malonic acid -is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75586 +name: 1,2-hexadecanediol +is_a: CHEBI:13643 ! glycol [Term] -id: CHEBI:30795 -name: malonate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion +id: CHEBI:75587 +name: 2-hydroxypalmityl palmitate +is_a: CHEBI:25835 ! hexadecanoate ester [Term] -id: CHEBI:30800 -name: phthalate(1-) -is_a: CHEBI:26092 ! phthalate -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:75590 +name: 1-stearoyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:30805 -name: dodecanoic acid -is_a: CHEBI:39418 ! straight-chain saturated fatty acid -is_a: CHEBI:59554 ! medium-chain fatty acid -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:75591 +is_obsolete: true [Term] -id: CHEBI:30807 -name: tetradecanoate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion -is_a: CHEBI:76619 ! omega-methyl fatty acid anion -is_a: CHEBI:76928 ! 2,3-saturated fatty acid(1-) -is_a: CHEBI:78121 ! fatty acid anion 14:0 -is_a: CHEBI:83955 ! 1,2-saturated fatty acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75592 +name: L-cycloserine +is_a: CHEBI:23503 ! 4-amino-1,2-oxazolidin-3-one +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:59647 ! EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor +relationship: has_role CHEBI:64946 ! anti-HIV agent [Term] -id: CHEBI:30823 -name: oleate -is_a: CHEBI:132944 ! octadec-9-enoate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75596 +name: EC 5.* (isomerase) inhibitor +is_a: CHEBI:23924 ! enzyme inhibitor [Term] -id: CHEBI:30830 -name: 4-hydroxybutyric acid -is_a: CHEBI:24684 ! hydroxybutyric acid -is_a: CHEBI:35970 ! 4-hydroxy monocarboxylic acid -relationship: has_role CHEBI:35717 ! sedative -relationship: has_role CHEBI:38869 ! general anaesthetic -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:53353 ! GHB receptor agonist +id: CHEBI:75600 +name: EC 6.3.* (C-N bond-forming ligase) inhibitor +is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] -id: CHEBI:30831 -name: 2-oxobutanoic acid -is_a: CHEBI:26666 ! short-chain fatty acid -is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +id: CHEBI:75603 +name: EC 6.* (ligase) inhibitor +is_a: CHEBI:23924 ! enzyme inhibitor [Term] -id: CHEBI:30832 -name: adipic acid -is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid -relationship: has_role CHEBI:64049 ! food acidity regulator -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:75604 +name: EC 6.4.* (C-C bond-forming ligase) inhibitor +is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] -id: CHEBI:30833 -name: adipate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:75606 +name: hydroxamic acid ester +is_a: CHEBI:37622 ! carboxamide [Term] -id: CHEBI:30837 -name: allantoic acid -is_a: CHEBI:47857 ! ureas -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75608 +name: 2-palmitoyloxypalmityl palmitate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:25835 ! hexadecanoate ester [Term] -id: CHEBI:30839 -name: orotate -is_a: CHEBI:38316 ! pyrimidinecarboxylate anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75609 +name: 1-alpha-linolenoyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:30848 -name: urate(1-) -is_a: CHEBI:46818 ! urate anion +id: CHEBI:75610 +name: 1-alpha-linolenoylglycerol +is_a: CHEBI:35759 ! 1-monoglyceride [Term] -id: CHEBI:30849 -name: L-arabinose -is_a: CHEBI:22599 ! arabinose -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:75611 +name: 1-arachidonoyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:30851 -name: keto-phenylpyruvic acid -is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid -relationship: has_role CHEBI:75050 ! chromogenic compound -relationship: has_role CHEBI:78675 ! fundamental metabolite -relationship: has_role CHEBI:90318 ! EC 6.4.1.1 (pyruvate carboxylase) inhibitor +id: CHEBI:75612 +name: 1-arachidonoylglycerol +is_a: CHEBI:134133 ! 1-acylglycerol 20:4 [Term] -id: CHEBI:30852 -name: galactaric acid -is_a: CHEBI:24577 ! hexaric acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75614 +name: 1-linoleoyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:30853 -name: glycyrrhetinic acid -is_a: CHEBI:25872 ! pentacyclic triterpenoid -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid -is_a: CHEBI:36130 ! cyclic terpene ketone -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75615 +name: (8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:61051 ! lipid hydroperoxide [Term] -id: CHEBI:30854 -name: indole-3-acetate -is_a: CHEBI:38468 ! indol-3-yl carboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75616 +name: gentamicin C(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:30860 -name: methylmalonic acid -is_a: CHEBI:66873 ! C4-dicarboxylic acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75617 +name: N(3')-acetylgentamycin C(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:30861 -name: methylmalonate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75620 +name: decyl oleate +is_a: CHEBI:10036 ! wax ester [Term] -id: CHEBI:30879 -name: alcohol -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:75622 +name: palmityl oleate +is_a: CHEBI:10036 ! wax ester [Term] -id: CHEBI:30887 -name: isocitric acid -is_a: CHEBI:27093 ! tricarboxylic acid -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75623 +name: (Z)-hexadec-9-en-1-ol +is_a: CHEBI:24546 ! hexadecen-1-ol [Term] -id: CHEBI:30911 -name: glucitol -is_a: CHEBI:24583 ! hexitol -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75624 +name: palmitoleyl oleate +is_a: CHEBI:10036 ! wax ester [Term] -id: CHEBI:30913 -name: L-pipecolic acid -is_a: CHEBI:17964 ! pipecolic acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75625 +name: stearyl oleate +is_a: CHEBI:132449 ! wax ester 36:1 [Term] -id: CHEBI:30915 -name: 2-oxoglutaric acid -is_a: CHEBI:36145 ! oxo dicarboxylic acid -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75626 +name: oleyl oleate +is_a: CHEBI:10036 ! wax ester [Term] -id: CHEBI:30916 -name: 2-oxoglutarate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75627 +name: icosan-1-ol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +is_a: CHEBI:78139 ! fatty alcohol 20:0 [Term] -id: CHEBI:30921 -name: glutarate(2-) -is_a: CHEBI:24329 ! glutarate -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75628 +name: arachidyl oleate +is_a: CHEBI:10036 ! wax ester [Term] -id: CHEBI:30929 -name: 2,3-dihydroxybutanedioate -is_a: CHEBI:132950 ! tartrate -is_a: CHEBI:61336 ! C4-dicarboxylate -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:75629 +name: palmityl palmitoleate +is_a: CHEBI:10036 ! wax ester [Term] -id: CHEBI:30938 -name: 6-aminopenicillanate -is_a: CHEBI:51356 ! penicillinate anion +id: CHEBI:75631 +name: palmityl stearate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:75925 ! octadecanoate ester [Term] -id: CHEBI:30939 -name: 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate -is_a: CHEBI:23375 ! copalyl diphosphate +id: CHEBI:75634 +name: L-erythro-3-methylmalyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:30944 -name: ascarylose -is_a: CHEBI:23703 ! dideoxyhexose +id: CHEBI:75635 +name: mesaconyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) [Term] -id: CHEBI:3095 -name: biguanide -is_a: CHEBI:24436 ! guanidines +id: CHEBI:75636 +name: 3-methylfumaryl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) [Term] -id: CHEBI:30968 -name: azetidine -is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent -is_a: CHEBI:37949 ! azacycloalkane -is_a: CHEBI:38777 ! azetidines +id: CHEBI:75637 +name: (3R)-citramalyl-CoA(5-) +is_a: CHEBI:57320 ! citramalyl-CoA(5-) [Term] -id: CHEBI:3098 -name: bile acid -is_a: CHEBI:138366 ! bile acids -is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid +id: CHEBI:75645 +name: 1-acyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:30985 -name: 4,4'-bipyridine -is_a: CHEBI:35545 ! bipyridine +id: CHEBI:75646 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) [Term] -id: CHEBI:31011 -name: valerate -is_a: CHEBI:58951 ! short-chain fatty acid anion -is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75649 +name: 5-(2-methoxy-2-oxoethyl)uridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:31014 -name: lignocerate -is_a: CHEBI:58950 ! very long-chain fatty acid anion -is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion -is_a: CHEBI:78128 ! fatty acid anion 24:0 -is_a: CHEBI:83955 ! 1,2-saturated fatty acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75650 +name: 5-(2-methoxy-2-oxoethyl)uridine 5'-monophosphate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:27232 ! uridine 5'-phosphate [Term] -id: CHEBI:31355 -name: carboplatin -is_a: CHEBI:33862 ! platinum coordination entity -relationship: has_part CHEBI:35690 ! cyclobutane-1,1-dicarboxylate(2-) -relationship: has_role CHEBI:25435 ! mutagen -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:75657 +name: 5-(carboxymethyl)uridine 5'-monophosphate +is_a: CHEBI:27237 ! uridine phosphate [Term] -id: CHEBI:31463 -name: delphinidin 3-O-beta-D-glucoside -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:35218 ! anthocyanin cation -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75658 +name: 5-(carboxymethyl)uridine 5'-monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:31529 -name: ecgonine methyl ester -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:37332 ! tropane alkaloid -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35480 ! analgesic -relationship: has_role CHEBI:35482 ! opioid analgesic -relationship: has_role CHEBI:35488 ! central nervous system depressant -relationship: has_role CHEBI:49110 ! peripheral nervous system drug -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:75659 +name: O-acyl-L-carnitine +is_a: CHEBI:17387 ! O-acylcarnitine [Term] -id: CHEBI:3165 -name: bradykinin -is_a: CHEBI:25676 ! oligopeptide -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:75665 +name: (2S,3R)-capreomycidine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:31746 -name: kainic acid -is_a: CHEBI:35692 ! dicarboxylic acid -is_a: CHEBI:46767 ! pyrrolidinecarboxylic acid -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -is_a: CHEBI:84186 ! L-proline derivative -relationship: has_role CHEBI:35444 ! antinematodal drug -relationship: has_role CHEBI:50103 ! excitatory amino acid agonist +id: CHEBI:75688 +name: 1,3-dipalmitoyl-2-oleoylglycerol +is_a: CHEBI:84665 ! triacylglycerol 50:1 [Term] -id: CHEBI:31885 -name: N-acetyl-L-2-aminoadipic acid -is_a: CHEBI:21644 ! N-acyl-L-amino acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75690 +name: (8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoic acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid [Term] -id: CHEBI:31967 -name: pelargonidin 3-O-beta-D-glucoside -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:71583 ! anthocyanidin glycoside -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75692 +name: (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid [Term] -id: CHEBI:31997 -name: N,N-dimethylethanolamine phosphate -is_a: CHEBI:36711 ! phosphoethanolamine -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75696 +name: (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoic acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid [Term] -id: CHEBI:32372 -name: palmitoleate -is_a: CHEBI:71449 ! hexadec-9-enoate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:7570 +name: nigerose +is_a: CHEBI:24405 ! glycosylglucose [Term] -id: CHEBI:32373 -name: 4-coumarate -is_a: CHEBI:23399 ! coumarate -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75700 +name: (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid [Term] -id: CHEBI:32382 -name: (R)-mandelate -is_a: CHEBI:25147 ! mandelate +id: CHEBI:75703 +name: (R)-mecoprop +is_a: CHEBI:75704 ! 2-(4-chloro-2-methylphenoxy)propanoic acid +relationship: has_role CHEBI:24527 ! herbicide [Term] -id: CHEBI:32387 -name: alpha-linolenate -is_a: CHEBI:133790 ! linolenate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75704 +name: 2-(4-chloro-2-methylphenoxy)propanoic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:83403 ! monochlorobenzenes [Term] -id: CHEBI:32395 -name: arachidonate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:62920 ! icosatetraenoate -is_a: CHEBI:62937 ! icosanoid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75705 +name: D-glucosaminic acid 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:32398 -name: D-glyceric acid -is_a: CHEBI:33508 ! glyceric acid +id: CHEBI:75712 +name: (S)-mecoprop +is_a: CHEBI:75704 ! 2-(4-chloro-2-methylphenoxy)propanoic acid [Term] -id: CHEBI:32402 -name: catecholate(2-) -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75714 +name: dUMP residue +is_a: CHEBI:50298 ! canonical deoxyribonucleotide residue [Term] -id: CHEBI:32431 -name: L-alaninate -is_a: CHEBI:32439 ! alaninate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75717 +name: (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:32432 -name: L-alaninium -is_a: CHEBI:32440 ! alaninium -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75728 +name: 1-stearoyl-2-arachidonoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:32435 -name: D-alaninate -is_a: CHEBI:32439 ! alaninate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75729 +name: 1-stearoyl-2-arachidonoyl-3-oleoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol [Term] -id: CHEBI:32436 -name: D-alaninium -is_a: CHEBI:32440 ! alaninium -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75730 +name: carminomycin(1+) +is_a: CHEBI:64678 ! anthracycline cation [Term] -id: CHEBI:32439 -name: alaninate -is_a: CHEBI:33558 ! alpha-amino-acid anion -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:75735 +name: 1,3-dioleoylglycerol +is_a: CHEBI:134567 ! diacylglycerol (18:1/0:0/18:1) +is_a: CHEBI:47777 ! 1,3-diglyceride +is_a: CHEBI:75945 ! dioleoylglycerol [Term] -id: CHEBI:32440 -name: alaninium -is_a: CHEBI:33719 ! alpha-amino-acid cation -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:75757 +name: 1-oleoyl-sn-glycerol +is_a: CHEBI:64683 ! 1-acyl-sn-glycerol +is_a: CHEBI:75342 ! 1-oleoylglycerol [Term] -id: CHEBI:32442 -name: L-cysteinate(1-) -is_a: CHEBI:32456 ! cysteinate(1-) -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75759 +name: beta-L-glucoside +is_a: CHEBI:60980 ! beta-glucoside +is_a: CHEBI:71352 ! L-glucoside [Term] -id: CHEBI:32443 -name: L-cysteinate(2-) -is_a: CHEBI:32457 ! cysteinate(2-) -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75763 +name: eukaryotic metabolite +is_a: CHEBI:25212 ! metabolite [Term] -id: CHEBI:32445 -name: L-cysteinium -is_a: CHEBI:32458 ! cysteinium -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75767 +name: animal metabolite +is_a: CHEBI:75763 ! eukaryotic metabolite [Term] -id: CHEBI:32446 -name: all-trans-neoxanthin -is_a: CHEBI:25501 ! neoxanthin -relationship: has_role CHEBI:26130 ! biological pigment -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75768 +name: mammalian metabolite +is_a: CHEBI:75767 ! animal metabolite [Term] -id: CHEBI:32449 -name: D-cysteinate(1-) -is_a: CHEBI:32456 ! cysteinate(1-) -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75769 +name: B vitamin +is_a: CHEBI:27314 ! water-soluble vitamin +is_a: CHEBI:50733 ! nutraceutical [Term] -id: CHEBI:32450 -name: D-cysteinate(2-) -is_a: CHEBI:32457 ! cysteinate(2-) -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75771 +name: mouse metabolite +is_a: CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:32451 -name: D-cysteinium -is_a: CHEBI:32458 ! cysteinium -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75772 +name: Saccharomyces cerevisiae metabolite +is_a: CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:32456 -name: cysteinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:63470 ! sulfur-containing amino-acid anion +id: CHEBI:75787 +name: prokaryotic metabolite +is_a: CHEBI:25212 ! metabolite [Term] -id: CHEBI:32457 -name: cysteinate(2-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75792 +name: 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-lysyl)-sn-glycerol(1+) +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:32458 -name: cysteinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75793 +name: 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-alanyl)-sn-glycerol zwitterion +is_a: CHEBI:60524 ! 3-O-L-alanyl-1-O-phosphatidylglycerol zwitterion [Term] -id: CHEBI:32486 -name: L-phenylalaninate -is_a: CHEBI:32504 ! phenylalaninate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75799 +name: 3-beta-D-glucosyl-1,2-diacyl-sn-glycerol +is_a: CHEBI:67150 ! beta-D-Glc-(1->3')-1,2-diacylglycerol [Term] -id: CHEBI:32487 -name: L-phenylalaninium -is_a: CHEBI:32505 ! phenylalaninium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75800 +name: (2'->5')-dinucleotide +is_a: CHEBI:47885 ! dinucleotide [Term] -id: CHEBI:324935 -name: fumagillol -is_a: CHEBI:133131 ! spiro-epoxide -is_a: CHEBI:26658 ! sesquiterpenoid -is_a: CHEBI:35681 ! secondary alcohol -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:75818 +name: mannosyl diphosphorylinositol ceramide(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:32494 -name: D-phenylalaninate -is_a: CHEBI:32504 ! phenylalaninate +id: CHEBI:75819 +name: 8-oxo-ETE +is_a: CHEBI:61704 ! oxoicosatetraenoic acid [Term] -id: CHEBI:32495 -name: D-phenylalaninium -is_a: CHEBI:32505 ! phenylalaninium +id: CHEBI:75822 +name: (8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoic acid +is_a: CHEBI:138138 ! epoxy(hydroxy)icosatrienoic acid [Term] -id: CHEBI:32504 -name: phenylalaninate -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:63473 ! aromatic amino-acid anion +id: CHEBI:75824 +name: 2,3-dioleoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:75945 ! dioleoylglycerol [Term] -id: CHEBI:32505 -name: phenylalaninium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75825 +name: (7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid [Term] -id: CHEBI:32507 -name: glycinium -is_a: CHEBI:33719 ! alpha-amino-acid cation -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75831 +name: (8E,10S)-10-hydroperoxy-8-octadecenoic acid +is_a: CHEBI:134613 ! hydroperoxyoctadecenoic acid [Term] -id: CHEBI:32508 -name: glycinate -is_a: CHEBI:33558 ! alpha-amino-acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75833 +name: (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid +is_a: CHEBI:64008 ! (8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid [Term] -id: CHEBI:32510 -name: L-histidinate(1-) -is_a: CHEBI:32529 ! histidinate(1-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75837 +name: phytyl diphosphate +is_a: CHEBI:18187 ! (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate [Term] -id: CHEBI:32511 -name: L-histidinate(2-) -is_a: CHEBI:32530 ! histidinate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75838 +name: phytyl phosphate +is_a: CHEBI:16460 ! polyprenol phosphate [Term] -id: CHEBI:32512 -name: L-histidinium(2+) -is_a: CHEBI:32532 ! histidinium(2+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75840 +name: 2-keto-3-deoxy-L-galactonic acid +is_a: CHEBI:24963 ! ketoaldonic acid +is_a: CHEBI:33752 ! hexonic acid [Term] -id: CHEBI:32513 -name: L-histidinium(1+) -is_a: CHEBI:32531 ! histidinium(1+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75841 +name: 1,2,3-tripalmitoleoylglycerol +is_a: CHEBI:17855 ! triglyceride [Term] -id: CHEBI:32523 -name: D-histidinate(1-) -is_a: CHEBI:32529 ! histidinate(1-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75844 +name: 1,2,3-trilinoleoylglycerol +is_a: CHEBI:140883 ! TG(18:2/18:2/18:2) +is_a: CHEBI:17855 ! triglyceride +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:32524 -name: D-histidinate(2-) -is_a: CHEBI:32530 ! histidinate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75845 +name: 1,2,3-trilinolenoylglycerol +is_a: CHEBI:138346 ! triacylglycerol 54:9 [Term] -id: CHEBI:32526 -name: D-histidinium(1+) -is_a: CHEBI:32531 ! histidinium(1+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75846 +name: 1,3-dioleoyl-2-palmitoylglycerol +is_a: CHEBI:17855 ! triglyceride [Term] -id: CHEBI:32527 -name: D-histidinium(2+) -is_a: CHEBI:32532 ! histidinium(2+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75847 +name: 1-palmitoyl-2,3-dioleoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol +is_a: CHEBI:75848 ! 1,2-dioleoyl-3-palmitoylglycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:32529 -name: histidinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75848 +name: 1,2-dioleoyl-3-palmitoylglycerol +is_a: CHEBI:17855 ! triglyceride [Term] -id: CHEBI:32530 -name: histidinate(2-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75849 +name: 1,3-dipalmitoleoylglycerol +is_a: CHEBI:47777 ! 1,3-diglyceride [Term] -id: CHEBI:32531 -name: histidinium(1+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75850 +name: 1,3-dilinoleoylglycerol +is_a: CHEBI:138658 ! dilinoleoylglycerol +is_a: CHEBI:47777 ! 1,3-diglyceride [Term] -id: CHEBI:32532 -name: histidinium(2+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75851 +name: (2S,3R)-capreomycidine +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:39447 ! pyrimidines +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83965 ! L-arginine derivative +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:75852 +name: 1,3-dilinolenoylglycerol +is_a: CHEBI:47777 ! 1,3-diglyceride + +[Term] +id: CHEBI:75853 +name: 2,3-dipalmitoleoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol + +[Term] +id: CHEBI:75854 +name: 2,3-dilinoleoyl-sn-glycerol +is_a: CHEBI:138658 ! dilinoleoylglycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol [Term] -id: CHEBI:32544 -name: nicotinate -is_a: CHEBI:38181 ! pyridinemonocarboxylate -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75855 +name: 2,3-dilinolenoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol [Term] -id: CHEBI:32550 -name: L-lysinate -is_a: CHEBI:32563 ! lysinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75856 +name: 3-methylfumaryl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA [Term] -id: CHEBI:32551 -name: L-lysinium(1+) -is_a: CHEBI:32564 ! lysinium(1+) -is_a: CHEBI:62031 ! polar amino acid zwitterion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75860 +name: (3R)-citramalyl-CoA +is_a: CHEBI:15457 ! citramalyl-CoA [Term] -id: CHEBI:32552 -name: L-lysinium(2+) -is_a: CHEBI:32565 ! lysinium(2+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75865 +name: D-glucosaminic acid 6-phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:33772 ! gluconic acid derivative [Term] -id: CHEBI:32556 -name: D-lysinate -is_a: CHEBI:32563 ! lysinate -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75867 +name: 1-oleoyl-3-palmitoyl-sn-glycerol +is_a: CHEBI:75869 ! 1-oleoyl-3-palmitoylglycerol +is_a: CHEBI:77272 ! 1,3-diacyl-sn-glycerol [Term] -id: CHEBI:32557 -name: D-lysinium(1+) -is_a: CHEBI:32564 ! lysinium(1+) -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75868 +name: 1-palmitoyl-3-oleoyl-sn-glycerol +is_a: CHEBI:75869 ! 1-oleoyl-3-palmitoylglycerol +is_a: CHEBI:77272 ! 1,3-diacyl-sn-glycerol +is_a: CHEBI:85694 ! diacylglycerol 34:1 [Term] -id: CHEBI:32558 -name: D-lysinium(2+) -is_a: CHEBI:32565 ! lysinium(2+) -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75869 +name: 1-oleoyl-3-palmitoylglycerol +is_a: CHEBI:47777 ! 1,3-diglyceride [Term] -id: CHEBI:32563 -name: lysinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:7587 +name: nitroalkane +is_a: CHEBI:51129 ! nitrohydrocarbon [Term] -id: CHEBI:32564 -name: lysinium(1+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75870 +name: 2-palmitoyl-3-oleoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol [Term] -id: CHEBI:32565 -name: lysinium(2+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75876 +name: (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid +is_a: CHEBI:23468 ! cyclohexadienecarboxylic acid +is_a: CHEBI:23469 ! cyclohexadienediol +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] -id: CHEBI:32568 -name: lysine residue -is_a: CHEBI:33710 ! alpha-amino-acid residue +id: CHEBI:75879 +name: 4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:32579 -name: lysinium residue -is_a: CHEBI:35415 ! alpha-amino-acid residue cation +id: CHEBI:75880 +name: 4-O-(beta-L-Araf)-cis-L-Hyp zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:32587 -name: 2-hydroxybenzoyl-CoA -is_a: CHEBI:24678 ! hydroxybenzoyl-CoA +id: CHEBI:75882 +name: 1-alkyl-2-acetylglycerol +is_a: CHEBI:35741 ! glycerolipid +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:64611 ! ether lipid [Term] -id: CHEBI:3259 -name: CCCP -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:38532 ! hydrazone -is_a: CHEBI:83403 ! monochlorobenzenes +id: CHEBI:75883 +name: monoalkylglycerol +is_a: CHEBI:64611 ! ether lipid [Term] -id: CHEBI:32600 -name: tetracene -is_a: CHEBI:35297 ! acene -is_a: CHEBI:51270 ! tetracenes +id: CHEBI:75884 +name: N-acylindole +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:37622 ! carboxamide [Term] -id: CHEBI:32604 -name: L-isoleucinate -is_a: CHEBI:32612 ! isoleucinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75885 +name: 2-pyranones +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:37963 ! pyranone [Term] -id: CHEBI:32605 -name: L-isoleucinium -is_a: CHEBI:32613 ! isoleucinium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75890 +name: 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-alanyl)-sn-glycerol +is_a: CHEBI:17511 ! 3-O-L-alanyl-1-O-phosphatidylglycerol [Term] -id: CHEBI:32608 -name: D-isoleucinate -is_a: CHEBI:32612 ! isoleucinate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:75894 +name: 4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp +is_a: CHEBI:21993 ! O(4)-glycosyl-L-hydroxyproline +is_a: CHEBI:63571 ! trisaccharide derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84186 ! L-proline derivative [Term] -id: CHEBI:32609 -name: D-isoleucinium -is_a: CHEBI:32613 ! isoleucinium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75895 +name: N(alpha)-methyl-L-histidine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:32612 -name: isoleucinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75913 +name: 2-O-arachidonylglycerol +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:75883 ! monoalkylglycerol +is_a: CHEBI:76581 ! 2-alkylglycerol [Term] -id: CHEBI:32613 -name: isoleucinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75914 +name: 1-oleoyl-2-O-arachidonyl-sn-glycerol +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:64611 ! ether lipid [Term] -id: CHEBI:32619 -name: L-leucinate -is_a: CHEBI:32627 ! leucinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75920 +name: (R,R)-2-methyl-6-phytylhydroquinone +is_a: CHEBI:75406 ! 2-methyl-6-phytylhydroquinone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:32620 -name: L-leucinium -is_a: CHEBI:32628 ! leucinium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75921 +name: (R,R)-2,3-dimethyl-6-phytylhydroquinone +is_a: CHEBI:75407 ! 2,3-dimethyl-6-phytylhydroquinone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:32623 -name: D-leucinate -is_a: CHEBI:32627 ! leucinate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75923 +name: 3-oxodecanoate +is_a: CHEBI:133292 ! 3-oxo fatty acid anion [Term] -id: CHEBI:32624 -name: D-leucinium -is_a: CHEBI:32628 ! leucinium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75925 +name: octadecanoate ester +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:326268 -name: 1,4-butanediammonium -is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:75926 +name: 4-hydroxy-2-quinolone +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:74818 ! heteroaryl hydroxy compound [Term] -id: CHEBI:32627 -name: leucinate -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:63471 ! branched-chain amino-acid anion +id: CHEBI:75927 +name: (R)-2-hydroxyhexadecanoate +is_a: CHEBI:65097 ! 2-hydroxyhexadecanoate +is_a: CHEBI:76177 ! (2R)-2-hydroxy fatty acid anion [Term] -id: CHEBI:32628 -name: leucinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75928 +name: (S)-2-hydroxyhexadecanoate +is_a: CHEBI:65097 ! 2-hydroxyhexadecanoate [Term] -id: CHEBI:32631 -name: L-methioninate -is_a: CHEBI:32644 ! methioninate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75929 +name: D-cycloserine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:32632 -name: L-methioninium -is_a: CHEBI:32646 ! methioninium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75931 +name: 26-desglucoavenacoside B +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:63567 ! tetrasaccharide derivative +is_a: CHEBI:70994 ! hexacyclic triterpenoid +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:32637 -name: D-methioninate -is_a: CHEBI:32644 ! methioninate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75932 +name: 26-desglucoavenacoside A +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:63571 ! trisaccharide derivative +is_a: CHEBI:70994 ! hexacyclic triterpenoid +is_a: CHEBI:72600 ! spiroketal +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:32638 -name: D-methioninium -is_a: CHEBI:32646 ! methioninium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:75933 +name: 4-O-(beta-L-Araf)-cis-L-Hyp +is_a: CHEBI:21993 ! O(4)-glycosyl-L-hydroxyproline +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84186 ! L-proline derivative [Term] -id: CHEBI:32644 -name: methioninate -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:63470 ! sulfur-containing amino-acid anion +id: CHEBI:75935 +name: (R)-2-hydroxylignocerate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76177 ! (2R)-2-hydroxy fatty acid anion [Term] -id: CHEBI:32646 -name: methioninium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75936 +name: 1-O-palmityl-2-acetyl-sn-glycerol +is_a: CHEBI:75882 ! 1-alkyl-2-acetylglycerol [Term] -id: CHEBI:32650 -name: L-asparaginate -is_a: CHEBI:32660 ! asparaginate -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:75937 +name: monooleoylglycerol +is_a: CHEBI:87256 ! monoacylglycerol 18:1 [Term] -id: CHEBI:32651 -name: L-asparaginium -is_a: CHEBI:32661 ! asparaginium +id: CHEBI:75938 +name: 3-oleoyl-sn-glycerol +is_a: CHEBI:64760 ! 3-acyl-sn-glycerol +is_a: CHEBI:75342 ! 1-oleoylglycerol [Term] -id: CHEBI:32656 -name: D-asparaginate -is_a: CHEBI:32660 ! asparaginate +id: CHEBI:75945 +name: dioleoylglycerol +is_a: CHEBI:18035 ! diglyceride [Term] -id: CHEBI:32657 -name: D-asparaginium -is_a: CHEBI:32661 ! asparaginium +id: CHEBI:75946 +name: cytochalasan alkaloid +is_a: CHEBI:22315 ! alkaloid +is_a: CHEBI:23528 ! cytochalasin +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:32660 -name: asparaginate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75947 +name: c[G(2',5')pA(3',5')p] +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:47037 ! cyclic purine dinucleotide +is_a: CHEBI:61295 ! guanyl ribonucleotide +is_a: CHEBI:61296 ! adenyl ribonucleotide [Term] -id: CHEBI:32661 -name: asparaginium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75950 +name: (20S)-protopanaxadiol +is_a: CHEBI:76238 ! protopanaxadiol [Term] -id: CHEBI:32665 -name: L-glutaminate -is_a: CHEBI:32678 ! glutaminate -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:75951 +name: protopanaxatriol +is_a: CHEBI:26606 ! sapogenin +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:32666 -name: L-glutaminium -is_a: CHEBI:32679 ! glutaminium +id: CHEBI:75953 +name: devancoaminyl vancomycin zwitterion +is_a: CHEBI:60466 ! peptide zwitterion [Term] -id: CHEBI:32672 -name: D-glutaminate -is_a: CHEBI:32678 ! glutaminate +id: CHEBI:75954 +name: vancomycin aglycone zwitterion +is_a: CHEBI:60466 ! peptide zwitterion [Term] -id: CHEBI:32673 -name: D-glutaminium -is_a: CHEBI:32679 ! glutaminium +id: CHEBI:75956 +name: galactosylceramide sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:83875 ! N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) [Term] -id: CHEBI:32678 -name: glutaminate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75957 +name: dTDP-beta-L-4-epi-vancosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:32679 -name: glutaminium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75963 +name: chloroorienticin B(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:32681 -name: L-argininate -is_a: CHEBI:32695 ! argininate -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:75967 +name: nicotinate-adenine dinucleotide phosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:32682 -name: L-argininium(1+) -is_a: CHEBI:32696 ! argininium(1+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75970 +name: 2'-phospho-cyclic ADP-ribose(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:32683 -name: L-argininium(2+) -is_a: CHEBI:32697 ! argininium(2+) +id: CHEBI:75972 +name: (R)-2-hydroxyhexadecanoic acid +is_a: CHEBI:65101 ! 2-hydroxyhexadecanoic acid [Term] -id: CHEBI:32688 -name: D-argininate -is_a: CHEBI:32695 ! argininate +id: CHEBI:75977 +name: (S)-2-hydroxyhexadecanoic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:65101 ! 2-hydroxyhexadecanoic acid [Term] -id: CHEBI:32689 -name: D-argininium(1+) -is_a: CHEBI:32696 ! argininium(1+) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:75989 +name: alpha-D-glucosamine 6-phosphate(1-) +is_a: CHEBI:58725 ! 2-ammonio-2-deoxy-D-glucopyranose 6-phosphate(1-) [Term] -id: CHEBI:32690 -name: D-argininium(2+) -is_a: CHEBI:32697 ! argininium(2+) +id: CHEBI:75990 +name: 2'-capryloylcardiolipin(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:32695 -name: argininate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:75992 +name: phenyl 5-phosphonato-alpha-D-ribofuranoside(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:32696 -name: argininium(1+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75993 +name: 2-capryloyl-2'-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:32697 -name: argininium(2+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:75994 +name: 2'-palmitoylcardiolipin(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:32702 -name: L-tryptophanate -is_a: CHEBI:32727 ! tryptophanate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:75767 ! animal metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75995 +name: 2'-arachidonoylcardiolipin(2-) +is_a: CHEBI:62237 ! cardiolipin(2-) [Term] -id: CHEBI:32704 -name: L-tryptophanium -is_a: CHEBI:32728 ! tryptophanium -relationship: has_role CHEBI:75767 ! animal metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:75996 +name: 2-arachidonoyl-2'-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:32716 -name: D-tryptophanate -is_a: CHEBI:32727 ! tryptophanate -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:75999 +name: (S)-laudanine(1+) +is_a: CHEBI:76102 ! laudanine(1+) [Term] -id: CHEBI:32717 -name: D-tryptophanium -is_a: CHEBI:32728 ! tryptophanium -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:76001 +name: (R)-laudanine(1+) +is_a: CHEBI:76102 ! laudanine(1+) [Term] -id: CHEBI:32727 -name: tryptophanate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76024 +name: lacceroate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion [Term] -id: CHEBI:32728 -name: tryptophanium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:76032 +name: 7(1)-hydroxychlorophyll a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:28966 ! chlorophyll [Term] -id: CHEBI:32752 -name: selenocysteinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76036 +name: (R)-2-hydroxylignoceric acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid [Term] -id: CHEBI:32753 -name: selenocysteinate(2-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76042 +name: aromatic amino-acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:32754 -name: selenocysteinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:76044 +name: omega-hydroxytriacontanoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:32760 -name: L-tyrosinate(1-) -is_a: CHEBI:32784 ! tyrosinate(1-) -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76054 +name: 1-O-oleoyl-N-acetylsphingosine +is_a: CHEBI:84483 ! 1-O-acyl-N-acetylsphingosine [Term] -id: CHEBI:32761 -name: L-tyrosinate(2-) -is_a: CHEBI:32785 ! tyrosinate(2-) -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76055 +name: 1-palmityl-2-acetyl-3-oleoyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol [Term] -id: CHEBI:32762 -name: L-tyrosinium -is_a: CHEBI:32786 ! tyrosinium -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76056 +name: dTDP-beta-L-4-epi-vancosamine +is_a: CHEBI:23557 ! dTDP-sugar [Term] -id: CHEBI:32773 -name: D-tyrosinate(1-) -is_a: CHEBI:32784 ! tyrosinate(1-) -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:76058 +name: chloroorienticin B +is_a: CHEBI:24396 ! glycopeptide +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37407 ! cyclic ether +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:32774 -name: D-tyrosinate(2-) -is_a: CHEBI:32785 ! tyrosinate(2-) -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:76061 +name: 1-O-palmitylglycerol +is_a: CHEBI:52575 ! alkylglycerol [Term] -id: CHEBI:32775 -name: D-tyrosinium -is_a: CHEBI:32786 ! tyrosinium -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:76062 +name: 1-O-palmityl-3-oleoylglycerol +is_a: CHEBI:76225 ! 1-alkyl-3-acylglycerol [Term] -id: CHEBI:32784 -name: tyrosinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76063 +name: 1-O-palmityl-2-O-methyl-sn-glycerol +is_a: CHEBI:84473 ! 1-alkyl-2-methyl-sn-glycerol [Term] -id: CHEBI:32785 -name: tyrosinate(2-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76064 +name: 1-palmityl-2-methyl-3-oleoyl-sn-glycerol +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:52575 ! alkylglycerol [Term] -id: CHEBI:32786 -name: tyrosinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:76065 +name: 1-oleoyl-2-palmitoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:327995 -name: tyraminium -is_a: CHEBI:25375 ! monoamine molecular messenger -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:25512 ! neurotransmitter -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76068 +name: N,O-dioleoylethanolamine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:84481 ! N,O-diacylethanolamine [Term] -id: CHEBI:32800 -name: (S)-mandelic acid -is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid -is_a: CHEBI:35825 ! mandelic acid +id: CHEBI:76070 +name: O-oleoylanandamide +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:32802 -name: (S)-4-hydroxymandelic acid -is_a: CHEBI:16388 ! 4-hydroxymandelic acid -is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +id: CHEBI:76071 +name: 2-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:76083 ! oleoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:32803 -name: (R)-4-hydroxymandelic acid -is_a: CHEBI:16388 ! 4-hydroxymandelic acid +id: CHEBI:76072 +name: nicotinic acid-adenine dinucleotide phosphate +is_a: CHEBI:37584 ! nicotinic acid dinucleotide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:38807 ! calcium channel agonist +relationship: has_role CHEBI:62488 ! signalling molecule [Term] -id: CHEBI:32804 -name: 4-hydroxymandelate -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:58896 ! 2-hydroxy carboxylate +id: CHEBI:76073 +name: 1-oleoyl-2-stearoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66857 ! phosphatidylcholine 36:1 [Term] -id: CHEBI:32807 -name: o-orsellinic acid -is_a: CHEBI:23778 ! dihydroxybenzoic acid -is_a: CHEBI:33572 ! resorcinols -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:76074 +name: 1-O-stearoyl-N-acetylsphingosine +is_a: CHEBI:84483 ! 1-O-acyl-N-acetylsphingosine [Term] -id: CHEBI:32815 -name: enol-phenylpyruvic acid -is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +id: CHEBI:76076 +name: 2-stearoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:91299 ! lysophosphatidylcholine(0:0/18:0) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:32816 -name: pyruvic acid -is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76077 +name: 1-O-palmitoyl-N-acetylsphingosine +is_a: CHEBI:84483 ! 1-O-acyl-N-acetylsphingosine [Term] -id: CHEBI:32817 -name: keto-3-deoxy-D-manno-octulosonic acid -is_a: CHEBI:11791 ! 3-deoxy-D-manno-octulosonic acid +id: CHEBI:76078 +name: 2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:91297 ! lysophosphatidylcholine(0:0/16:0) [Term] -id: CHEBI:32820 -name: L-threoninate -is_a: CHEBI:32832 ! threoninate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:76079 +name: 2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:91303 ! lysophosphatidylcholine(0:0/20:4) [Term] -id: CHEBI:32822 -name: L-threoninium -is_a: CHEBI:32833 ! threoninium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:76080 +name: 1-O-arachidonoyl-N-acetylsphingosine +is_a: CHEBI:84483 ! 1-O-acyl-N-acetylsphingosine [Term] -id: CHEBI:32827 -name: D-threoninate -is_a: CHEBI:32832 ! threoninate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:76081 +name: 2'-phospho-cyclic ADP-ribose +is_a: CHEBI:25609 ! nucleotide-sugar +is_a: CHEBI:36982 ! cyclic purine nucleotide +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:38807 ! calcium channel agonist +relationship: has_role CHEBI:62488 ! signalling molecule [Term] -id: CHEBI:32828 -name: D-threoninium -is_a: CHEBI:32833 ! threoninium -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:76083 +name: oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64566 ! lysophosphatidylcholine 18:1 +is_a: CHEBI:84465 ! acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:32832 -name: threoninate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76084 +name: 2-linoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:140444 ! linoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:91302 ! lysophosphatidylcholine(0:0/18:2) [Term] -id: CHEBI:32833 -name: threoninium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:76085 +name: 2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:131987 ! 2-docosahexaenoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:32836 -name: L-serinate -is_a: CHEBI:32845 ! serinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:76086 +name: 1-O-linoleoyl-N-acetylsphingosine +is_a: CHEBI:84483 ! 1-O-acyl-N-acetylsphingosine [Term] -id: CHEBI:32837 -name: L-serinium -is_a: CHEBI:32846 ! serinium +id: CHEBI:76087 +name: 1-O-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-N-acetylsphingosine +is_a: CHEBI:84483 ! 1-O-acyl-N-acetylsphingosine [Term] -id: CHEBI:32840 -name: D-serinate -is_a: CHEBI:32845 ! serinate +id: CHEBI:76088 +name: 2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:65213 ! 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72388 ! lysophosphatidylethanolamine zwitterion 18:1 [Term] -id: CHEBI:32841 -name: D-serinium -is_a: CHEBI:32846 ! serinium +id: CHEBI:76090 +name: 2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:65213 ! 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72389 ! lysophosphatidylethanolamine zwitterion 18:2 [Term] -id: CHEBI:32845 -name: serinate -is_a: CHEBI:33558 ! alpha-amino-acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76091 +name: 2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:65213 ! 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:32846 -name: serinium -is_a: CHEBI:33719 ! alpha-amino-acid cation -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76101 +name: (S)-laudanine +is_a: CHEBI:76103 ! laudanine [Term] -id: CHEBI:32851 -name: L-valinate -is_a: CHEBI:32859 ! valinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76102 +name: laudanine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:32852 -name: L-valinium -is_a: CHEBI:32860 ! valinium -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76103 +name: laudanine +is_a: CHEBI:22750 ! benzylisoquinoline alkaloid +is_a: CHEBI:26901 ! benzyltetrahydroisoquinoline +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether [Term] -id: CHEBI:32855 -name: D-valinate -is_a: CHEBI:32859 ! valinate -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76104 +name: kaempferol 3-O-beta-D-galactoside(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:32856 -name: D-valinium -is_a: CHEBI:32860 ! valinium -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76105 +name: (R)-laudanine +is_a: CHEBI:76103 ! laudanine [Term] -id: CHEBI:32859 -name: valinate -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:63471 ! branched-chain amino-acid anion +id: CHEBI:76150 +name: (R)-2-hydroxy-alpha-linolenate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76177 ! (2R)-2-hydroxy fatty acid anion [Term] -id: CHEBI:32860 -name: valinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:76151 +name: (8Z,11Z,14Z)-heptadecatrienal +is_a: CHEBI:72692 ! polyunsaturated fatty aldehyde +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:32862 -name: L-prolinate -is_a: CHEBI:32871 ! prolinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76152 +name: (8Z,11Z,14Z)-heptadecatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:32863 -name: secondary amine -is_a: CHEBI:32952 ! amine -is_a: CHEBI:50995 ! secondary amino compound +id: CHEBI:76159 +name: tetracenomycin F2(1-) +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:32864 -name: L-prolinium -is_a: CHEBI:32872 ! prolinium -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76161 +name: (R)-2-hydroperoxy-alpha-linolenate +is_a: CHEBI:133558 ! hydroperoxyoctadecatrienoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:32867 -name: D-prolinate -is_a: CHEBI:32871 ! prolinate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76166 +name: 1,2-diacyl-3-O-[alpha-D-glucosyl-(1-> 2)-alpha-D-glucosyl]-sn-glycerol +is_a: CHEBI:63788 ! alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3')-1,2-diacylglycerol [Term] -id: CHEBI:32868 -name: D-prolinium -is_a: CHEBI:32872 ! prolinium -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76168 +name: 1-alkyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77578 ! monoalkyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:78202 ! 1-alkylglycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:32871 -name: prolinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76170 +name: olefinic phospholipid +is_a: CHEBI:16247 ! phospholipid +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:32872 -name: prolinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:76171 +name: 1-acyl-2-(10-methylenealkanoyl)-sn-3-glycerophospholipid +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:32876 -name: tertiary amine -is_a: CHEBI:32952 ! amine -is_a: CHEBI:50996 ! tertiary amino compound +id: CHEBI:76176 +name: 2-hydroxy fatty acid anion +is_a: CHEBI:58896 ! 2-hydroxy carboxylate +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:32877 -name: primary amine -is_a: CHEBI:32952 ! amine -is_a: CHEBI:50994 ! primary amino compound +id: CHEBI:76177 +name: (2R)-2-hydroxy fatty acid anion +is_a: CHEBI:58314 ! (2R)-2-hydroxy monocarboxylic acid anion +is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion [Term] -id: CHEBI:32878 -name: alkene -is_a: CHEBI:33645 ! acyclic olefin +id: CHEBI:76179 +name: O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue [Term] -id: CHEBI:32879 -name: propane -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:78017 ! food propellant +id: CHEBI:76180 +name: arachidonoyl bioconjugate +is_a: CHEBI:15843 ! arachidonic acid +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32888 -name: gamma-hexachlorocyclohexane -is_a: CHEBI:23457 ! cyclodiene organochlorine insecticide -is_a: CHEBI:24536 ! hexachlorocyclohexane -relationship: has_role CHEBI:24127 ! fungicide -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:33286 ! agrochemical -relationship: has_role CHEBI:33288 ! rodenticide -relationship: has_role CHEBI:38706 ! pediculicide -relationship: has_role CHEBI:38999 ! GABA-gated chloride channel antagonist -relationship: has_role CHEBI:77853 ! persistent organic pollutant +id: CHEBI:76184 +name: alpha-linolenoyl bioconjugate +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32892 -name: nonane -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76185 +name: stearidonoyl bioconjugate +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32898 -name: baccatin III -is_a: CHEBI:36054 ! benzoate ester -is_a: CHEBI:47622 ! acetate ester -is_a: CHEBI:52557 ! tetracyclic diterpenoid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76186 +name: linoleoyl bioconjugate +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32926 -name: octadecane -is_a: CHEBI:83563 ! long-chain alkane -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:76187 +name: gamma-linolenoyl bioconjugate +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32952 -name: amine -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:76189 +name: timnodonoyl bioconjugate +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32955 -name: epoxide -is_a: CHEBI:37407 ! cyclic ether +id: CHEBI:76194 +name: palmitoyl bioconjugate +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32957 -name: lysophosphatidic acids -is_a: CHEBI:16961 ! monoacylglycerol phosphate +id: CHEBI:76195 +name: sapienoyl bioconjugate +is_a: CHEBI:64985 ! bioconjugate [Term] -id: CHEBI:32964 -name: ornithinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:76197 +name: sapienate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:78095 ! hexadecenoate [Term] -id: CHEBI:32970 -name: 2-aminoethanesulfonate -is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76202 +name: riboflavin cyclic 4',5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:32988 -name: amide -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:76206 +name: xenobiotic metabolite +is_a: CHEBI:25212 ! metabolite [Term] -id: CHEBI:3306 -name: calcitonin -is_a: CHEBI:15841 ! polypeptide -is_a: CHEBI:24533 ! heterodetic cyclic peptide -is_a: CHEBI:25905 ! peptide hormone -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:50646 ! bone density conservation agent +id: CHEBI:7621 +name: norajmaline +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:73080 ! hemiaminal [Term] -id: CHEBI:33070 -name: indole-3-butyric acid -is_a: CHEBI:24810 ! indol-3-yl carboxylic acid -relationship: has_role CHEBI:22676 ! auxin -relationship: has_role CHEBI:37848 ! plant hormone -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76215 +name: lacceroic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:33076 -name: D-mannonic acid -is_a: CHEBI:21054 ! mannonic acid +id: CHEBI:76220 +name: omega-hydroxytriacontanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:33082 -name: phenalene -is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene -is_a: CHEBI:51120 ! ortho- and peri-fused tricyclic hydrocarbon +id: CHEBI:76222 +name: 1-O-acyl-N-acylsphingosine +is_a: CHEBI:133444 ! 1-O-acylceramide +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:33101 -name: nitrogen dioxide -is_a: CHEBI:35196 ! nitrogen oxide +id: CHEBI:76224 +name: aromatic ketone +is_a: CHEBI:17087 ! ketone [Term] -id: CHEBI:33118 -name: boric acid -is_a: CHEBI:59765 ! boric acids -relationship: has_role CHEBI:74783 ! astringent +id: CHEBI:76225 +name: 1-alkyl-3-acylglycerol +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:24353 ! glycerol ether +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:76578 ! disubstituted glycerol +is_a: CHEBI:76582 ! monoalkylmonoacylglycerol [Term] -id: CHEBI:33143 -name: chromic acid -is_a: CHEBI:35401 ! chromium oxoacid -relationship: has_role CHEBI:63248 ! oxidising agent +id: CHEBI:76226 +name: N-hexanoyldihydroceramide +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:33144 -name: hydrogenchromate -is_a: CHEBI:35402 ! chromium oxoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:76231 +name: 2-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:28936 ! 2-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64575 ! lysophosphatidylethanolamine 18:1 [Term] -id: CHEBI:33145 -name: boron oxoacid -is_a: CHEBI:22916 ! boron molecular entity -is_a: CHEBI:24833 ! oxoacid +id: CHEBI:76233 +name: 2-linoleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:131745 ! lysophosphatidylethanolamine (0:0/18:2) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:33173 -name: benzimidazolide -is_a: CHEBI:50335 ! organic nitrogen anion +id: CHEBI:76234 +name: (R)-2-hydroxy-alpha-linolenic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:72804 ! HOTrE [Term] -id: CHEBI:33184 -name: long-chain fatty acyl-CoA -is_a: CHEBI:37554 ! fatty acyl-CoA +id: CHEBI:76235 +name: (8Z,11Z,14Z)-heptadecatrienoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid [Term] -id: CHEBI:33186 -name: malononitrile -is_a: CHEBI:51308 ! dinitrile -is_a: CHEBI:80291 ! aliphatic nitrile +id: CHEBI:76236 +name: (R)-2-hydroperoxy-alpha-linolenic acid +is_a: CHEBI:134615 ! hydroperoxyoctadecatrienoic acid [Term] -id: CHEBI:33187 -name: oxomalononitrile -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:51852 ! alpha-ketonitrile +id: CHEBI:76238 +name: protopanaxadiol +is_a: CHEBI:26606 ! sapogenin +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:33189 -name: hydrazonomalononitrile -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:38532 ! hydrazone +id: CHEBI:76241 +name: O-(S-acylpantetheine-4'-phosphoryl)serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:33198 -name: D-gluconic acid -is_a: CHEBI:24266 ! gluconic acid -relationship: has_role CHEBI:38161 ! chelator -relationship: has_role CHEBI:76964 ! Penicillium metabolite +id: CHEBI:76242 +name: O-(S-acylpantetheine-4'-phosphoryl)serine +is_a: CHEBI:51277 ! thioester +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84135 ! L-serine derivative [Term] -id: CHEBI:33216 -name: bisphenol A -is_a: CHEBI:22901 ! bisphenol -relationship: has_role CHEBI:138015 ! endocrine disruptor -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:76988 ! xenoestrogen -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:76244 +name: sapienic acid +is_a: CHEBI:24548 ! hexadecenoic acid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:50748 ! antipsoriatic [Term] -id: CHEBI:33221 -name: corrin -is_a: CHEBI:23392 ! corrins -is_a: CHEBI:35794 ! tetrapyrrole fundamental parent -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:76245 +name: 4-hydroxy-5-methyl-2-methylenefuran-3-one +is_a: CHEBI:24129 ! furans +is_a: CHEBI:33823 ! enol +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51689 ! enone [Term] -id: CHEBI:33224 -name: chromane -is_a: CHEBI:23230 ! chromanes +id: CHEBI:76246 +name: 2-methyl-5-methylenefuran-3,4-dione +is_a: CHEBI:24129 ! furans +is_a: CHEBI:51869 ! alpha-diketone [Term] -id: CHEBI:33227 -name: (E)-cinnamyl alcohol -is_a: CHEBI:17177 ! cinnamyl alcohol +id: CHEBI:76247 +name: 4-hydroxy-2,5-dimethylfuran-3-one +is_a: CHEBI:24129 ! furans +is_a: CHEBI:33823 ! enol +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:48318 ! fragrance relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:33229 -name: vitamin -is_a: CHEBI:27027 ! micronutrient -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:76248 +name: 4-hydroxy-2,5-dimethylfuran-3-olate +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:33232 -name: application -is_a: CHEBI:50906 ! role +id: CHEBI:76250 +name: hydroxyisoflavans +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:72572 ! isoflavans [Term] -id: CHEBI:33233 -name: fundamental particle -is_a: CHEBI:36342 ! subatomic particle +id: CHEBI:76251 +name: 1-O-alkyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60520 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:33234 -name: vitamin E -is_a: CHEBI:23229 ! chromanol -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:24020 ! fat-soluble vitamin +id: CHEBI:76253 +name: dTDP-4-dehydro-6-deoxy-alpha-D-gulose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:33237 -name: vitamin D4 -is_a: CHEBI:27300 ! vitamin D -is_a: CHEBI:36819 ! seco-ergostane -is_a: CHEBI:36853 ! hydroxy seco-steroid +id: CHEBI:76264 +name: 1,2-diacyl-3-O-(beta-D-Glc-(1->6)-beta-D-Glc)-sn-glycerol +is_a: CHEBI:63786 ! beta-D-Glc-(1->6)-beta-D-Glc-(1->3')-1,2-diacylglycerol [Term] -id: CHEBI:33238 -name: monoatomic entity -is_a: CHEBI:33259 ! elemental molecular entity +id: CHEBI:76265 +name: 1,2-diacyl-3-O-(beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc)-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63427 ! glycosylglycerol derivative [Term] -id: CHEBI:33240 -name: coordination entity -is_a: CHEBI:37577 ! heteroatomic molecular entity +id: CHEBI:76270 +name: cyclohex-1-ene-1-carbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:33241 -name: oxoacid derivative -is_a: CHEBI:37577 ! heteroatomic molecular entity +id: CHEBI:76271 +name: cyclohexane-1-carbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:33242 -name: inorganic hydride -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:33692 ! hydrides +id: CHEBI:76272 +name: kaempferol 3-O-beta-D-xyloside(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:33245 -name: organic fundamental parent -is_a: CHEBI:37175 ! organic hydride -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:76273 +name: dodecanedioate(2-) +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:33246 -name: inorganic group -is_a: CHEBI:24433 ! group +id: CHEBI:76275 +name: dTDP-alpha-D-fucofuranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:33247 -name: organic group -is_a: CHEBI:24433 ! group +id: CHEBI:76276 +name: hexadecanedioate(2-) +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:33248 -name: hydrocarbyl group -is_a: CHEBI:33249 ! organyl group +id: CHEBI:76278 +name: dehydrocoformycin(1+) +is_a: CHEBI:35286 ! iminium ion [Term] -id: CHEBI:33249 -name: organyl group -is_a: CHEBI:51447 ! organic univalent group +id: CHEBI:76279 +name: 2''-O-acetyl-ADP-D-ribose +is_a: CHEBI:25609 ! nucleotide-sugar [Term] -id: CHEBI:33250 -name: atom -is_a: CHEBI:24431 ! chemical entity -relationship: has_part CHEBI:10545 ! electron -relationship: has_part CHEBI:33252 ! atomic nucleus +id: CHEBI:76280 +name: dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:33251 -name: monoatomic hydrogen -is_a: CHEBI:33238 ! monoatomic entity -is_a: CHEBI:33260 ! elemental hydrogen +id: CHEBI:76281 +name: tetradecanedioate(2-) +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:33252 -name: atomic nucleus -is_a: CHEBI:36347 ! nuclear particle -relationship: has_part CHEBI:33253 ! nucleon +id: CHEBI:76282 +name: suberate(2-) +is_a: CHEBI:132953 ! suberate +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) [Term] -id: CHEBI:33253 -name: nucleon -is_a: CHEBI:36339 ! baryon -is_a: CHEBI:36347 ! nuclear particle +id: CHEBI:76283 +name: sebacate(2-) +is_a: CHEBI:132954 ! sebacate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:33255 -name: alkylmercury compound -is_a: CHEBI:25706 ! organomercury compound +id: CHEBI:76289 +name: dTDP-4-dehydro-6-deoxy-alpha-D-gulose +is_a: CHEBI:23557 ! dTDP-sugar [Term] -id: CHEBI:33256 -name: primary amide -is_a: CHEBI:32988 ! amide +id: CHEBI:76291 +name: nonanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:33257 -name: secondary amide -is_a: CHEBI:32988 ! amide +id: CHEBI:76292 +name: trans-2-nonenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33259 -name: elemental molecular entity -is_a: CHEBI:23367 ! molecular entity +id: CHEBI:76294 +name: kaempferol 3-O-beta-D-xyloside +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:50018 ! glycosyloxyflavone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:33260 -name: elemental hydrogen -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:33259 ! elemental molecular entity -is_a: CHEBI:33608 ! hydrogen molecular entity +id: CHEBI:76295 +name: dTDP-alpha-D-fucofuranose +is_a: CHEBI:23557 ! dTDP-sugar [Term] -id: CHEBI:33261 -name: organosulfur compound -is_a: CHEBI:26835 ! sulfur molecular entity -is_a: CHEBI:36962 ! organochalcogen compound +id: CHEBI:76298 +name: 22-oxodocosanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:71944 ! aldehydic acid anion +is_a: CHEBI:76309 ! omega-oxo fatty acid anion [Term] -id: CHEBI:33262 -name: elemental oxygen -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:25806 ! oxygen molecular entity -is_a: CHEBI:33259 ! elemental molecular entity +id: CHEBI:76299 +name: docosanedioate(2-) +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) [Term] -id: CHEBI:33263 -name: diatomic oxygen -is_a: CHEBI:33262 ! elemental oxygen +id: CHEBI:763 +name: algestone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:36838 ! 17-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:59826 ! progestin [Term] -id: CHEBI:33265 -name: triatomic oxygen -is_a: CHEBI:33262 ! elemental oxygen +id: CHEBI:76301 +name: inositol phosphate oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:33266 -name: diatomic nitrogen -is_a: CHEBI:33267 ! elemental nitrogen +id: CHEBI:76304 +name: 22-hydroxydocosanoate +is_a: CHEBI:140992 ! omega-hydroxy-long-chain fatty acid anion [Term] -id: CHEBI:33267 -name: elemental nitrogen -is_a: CHEBI:33465 ! elemental pnictogen -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:76305 +name: 26-hydroxyhexacosanoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:33273 -name: polyatomic anion -is_a: CHEBI:22563 ! anion -is_a: CHEBI:36358 ! polyatomic ion +id: CHEBI:76306 +name: (+)-menthol +is_a: CHEBI:25187 ! p-menthan-3-ol [Term] -id: CHEBI:33279 -name: vitamin D5 -is_a: CHEBI:27300 ! vitamin D +id: CHEBI:76307 +name: omega-hydroxy fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:33280 -name: molecular messenger -is_a: CHEBI:24432 ! biological role +id: CHEBI:76308 +name: tetradecanedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:33281 -name: antimicrobial agent -is_a: CHEBI:24432 ! biological role +id: CHEBI:76309 +name: omega-oxo fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion [Term] -id: CHEBI:33282 -name: antibacterial agent -is_a: CHEBI:33281 ! antimicrobial agent +id: CHEBI:76311 +name: 26-oxohexacosanoate +is_a: CHEBI:76309 ! omega-oxo fatty acid anion [Term] -id: CHEBI:33284 -name: nutrient -is_a: CHEBI:78295 ! food component +id: CHEBI:76312 +name: hexacosanedioate(2-) +is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) [Term] -id: CHEBI:33285 -name: heteroorganic entity -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:76314 +name: trans-2-nonenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA [Term] -id: CHEBI:33286 -name: agrochemical -is_a: CHEBI:33232 ! application +id: CHEBI:76315 +name: dodecanedioyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) [Term] -id: CHEBI:33287 -name: fertilizer -is_a: CHEBI:33286 ! agrochemical +id: CHEBI:76316 +name: decanedioyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) [Term] -id: CHEBI:33288 -name: rodenticide -is_a: CHEBI:25944 ! pesticide +id: CHEBI:76317 +name: octanedioyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) [Term] -id: CHEBI:33289 -name: avicide -is_a: CHEBI:25944 ! pesticide +id: CHEBI:76318 +name: 22-oxodocosanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:76328 ! omega-oxo fatty acid [Term] -id: CHEBI:33290 -name: food -is_a: CHEBI:52211 ! physiological role -relationship: has_part CHEBI:78295 ! food component +id: CHEBI:76319 +name: docosanedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:33292 -name: fuel -is_a: CHEBI:33232 ! application +id: CHEBI:76322 +name: 22-hydroxydocosanoic acid +is_a: CHEBI:140997 ! omega-hydroxy-long-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:33295 -name: diagnostic agent -is_a: CHEBI:52217 ! pharmaceutical +id: CHEBI:76325 +name: 26-hydroxyhexacosanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:33296 -name: alkali metal molecular entity -is_a: CHEBI:33674 ! s-block molecular entity -relationship: has_part CHEBI:22314 ! alkali metal atom +id: CHEBI:76327 +name: adipoyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) [Term] -id: CHEBI:33299 -name: alkaline earth molecular entity -is_a: CHEBI:33674 ! s-block molecular entity -relationship: has_part CHEBI:22313 ! alkaline earth metal atom +id: CHEBI:76328 +name: omega-oxo fatty acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:59644 ! oxo fatty acid [Term] -id: CHEBI:33300 -name: pnictogen -is_a: CHEBI:33560 ! p-block element atom +id: CHEBI:76330 +name: trans-2-octenedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33301 -name: bismuth atom -is_a: CHEBI:33300 ! pnictogen -is_a: CHEBI:33521 ! metal atom +id: CHEBI:76332 +name: 26-oxohexacosanoic acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:76328 ! omega-oxo fatty acid [Term] -id: CHEBI:33302 -name: pnictogen molecular entity -is_a: CHEBI:33675 ! p-block molecular entity -relationship: has_part CHEBI:33300 ! pnictogen +id: CHEBI:76333 +name: (S)-3-hydroxyoctanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33303 -name: chalcogen -is_a: CHEBI:33560 ! p-block element atom +id: CHEBI:76334 +name: hexacosanedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid [Term] -id: CHEBI:33304 -name: chalcogen molecular entity -is_a: CHEBI:33675 ! p-block molecular entity -relationship: has_part CHEBI:33303 ! chalcogen +id: CHEBI:76335 +name: 3-oxooctanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33305 -name: tellurium molecular entity -is_a: CHEBI:33304 ! chalcogen molecular entity -relationship: has_part CHEBI:30452 ! tellurium atom +id: CHEBI:76339 +name: dodecanedioyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA [Term] -id: CHEBI:33306 -name: carbon group element atom -is_a: CHEBI:33560 ! p-block element atom +id: CHEBI:76340 +name: trans-2-dodecenedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion + +[Term] +id: CHEBI:76342 +name: (S)-3-hydroxydodecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33308 -name: carboxylic ester -is_a: CHEBI:35701 ! ester -is_a: CHEBI:36586 ! carbonyl compound +id: CHEBI:76345 +name: decanedioyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA [Term] -id: CHEBI:33309 -name: noble gas atom -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33318 ! main group element atom +id: CHEBI:76346 +name: 3-oxododecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33317 -name: boron group element atom -is_a: CHEBI:33560 ! p-block element atom +id: CHEBI:76347 +name: trans-2-decenedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33318 -name: main group element atom -is_a: CHEBI:33250 ! atom +id: CHEBI:76348 +name: (S)-3-hydroxydecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33327 -name: silicon oxide -is_a: CHEBI:24836 ! inorganic oxide -is_a: CHEBI:26677 ! silicon molecular entity +id: CHEBI:76349 +name: 3-oxodecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:33328 -name: silicon oxoacid -is_a: CHEBI:24833 ! oxoacid -is_a: CHEBI:46890 ! silicon hydroxide -relationship: has_role CHEBI:138103 ! inorganic acid +id: CHEBI:76352 +name: octanedioyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA [Term] -id: CHEBI:33338 -name: aryl group -is_a: CHEBI:33248 ! hydrocarbyl group +id: CHEBI:76356 +name: (3S,6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosahexaenoyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:33340 -name: zinc group element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76360 +name: (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33347 -name: vanadium group element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76364 +name: (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33350 -name: chromium group element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76366 +name: (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:33352 -name: manganese group element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76367 +name: (6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33356 -name: iron group element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76368 +name: (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33358 -name: cobalt group element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76373 +name: (R)-3-hydroxyicosanoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:71455 ! 3-hydroxyicosanoyl-CoA(4-) [Term] -id: CHEBI:33362 -name: nickel group element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76374 +name: (R)-3-hydroxystearoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33364 -name: platinum -is_a: CHEBI:33362 ! nickel group element atom -is_a: CHEBI:33365 ! platinum group metal atom +id: CHEBI:76375 +name: (R)-3-hydroxydocosanoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:71456 ! 3-hydroxydocosanoyl-CoA(4-) [Term] -id: CHEBI:33365 -name: platinum group metal atom -is_a: CHEBI:27081 ! transition element atom +id: CHEBI:76377 +name: (R)-3-hydroxylignoceroyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33366 -name: copper group element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33561 ! d-block element atom +id: CHEBI:76378 +name: (R)-3-hydroxycerotoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33384 -name: L-serine zwitterion -is_a: CHEBI:35243 ! serine zwitterion +id: CHEBI:76382 +name: (R)-3-hydroxymontanoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33402 -name: sulfur oxoacid -is_a: CHEBI:26835 ! sulfur molecular entity -is_a: CHEBI:33484 ! chalcogen oxoacid +id: CHEBI:76383 +name: trans-2-octacosenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33404 -name: 3-hydroxypropionic acid -is_a: CHEBI:10615 ! omega-hydroxy fatty acid -is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76384 +name: (R)-3-hydroxymelissoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33405 -name: hydracid -is_a: CHEBI:33608 ! hydrogen molecular entity -relationship: has_role CHEBI:39141 ! Bronsted acid +id: CHEBI:76385 +name: trans-2-triacontenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33406 -name: organoarsenic compound -is_a: CHEBI:22632 ! arsenic molecular entity +id: CHEBI:76386 +name: melissoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33407 -name: arsenic oxoacid -is_a: CHEBI:22632 ! arsenic molecular entity -is_a: CHEBI:33408 ! pnictogen oxoacid +id: CHEBI:76387 +name: (3R,11Z)-3-hydroxyicosenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33408 -name: pnictogen oxoacid -is_a: CHEBI:24833 ! oxoacid -is_a: CHEBI:33302 ! pnictogen molecular entity -relationship: has_role CHEBI:138103 ! inorganic acid +id: CHEBI:76388 +name: (2E,11Z)-icosadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33424 -name: sulfur oxoacid derivative -is_a: CHEBI:26835 ! sulfur molecular entity -is_a: CHEBI:33241 ! oxoacid derivative +id: CHEBI:76389 +name: (3R,13Z)-3-hydroxydocosenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33425 -name: halogen oxoacid -is_a: CHEBI:24471 ! halogen molecular entity -is_a: CHEBI:24833 ! oxoacid -relationship: has_role CHEBI:138103 ! inorganic acid +id: CHEBI:76391 +name: (2E,13Z)-docosadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33426 -name: chlorine oxoacid -is_a: CHEBI:23117 ! chlorine molecular entity -is_a: CHEBI:33425 ! halogen oxoacid +id: CHEBI:76392 +name: (3R,15Z)-3-hydroxytetracosenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33429 -name: monoatomic monoanion -is_a: CHEBI:23905 ! monoatomic anion -is_a: CHEBI:36830 ! monoanion +id: CHEBI:76393 +name: (2E,15Z)-tetracosadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33431 -name: elemental chlorine -is_a: CHEBI:23117 ! chlorine molecular entity -is_a: CHEBI:33434 ! elemental halogen +id: CHEBI:76408 +name: (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33432 -name: monoatomic chlorine -is_a: CHEBI:33431 ! elemental chlorine -is_a: CHEBI:33433 ! monoatomic halogen +id: CHEBI:76409 +name: (2E,11Z,14Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33433 -name: monoatomic halogen -is_a: CHEBI:33238 ! monoatomic entity +id: CHEBI:76410 +name: (11Z,14Z)-icosadienoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:33434 -name: elemental halogen -is_a: CHEBI:33259 ! elemental molecular entity +id: CHEBI:76411 +name: (3R,8Z,11Z,14Z)-3-hydroxyicosatrienoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33437 -name: chlorine oxoanion -is_a: CHEBI:23117 ! chlorine molecular entity -is_a: CHEBI:33443 ! halogen oxoanion +id: CHEBI:76412 +name: (2E,8Z,11Z,14Z)-icosatetraenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33443 -name: halogen oxoanion -is_a: CHEBI:24471 ! halogen molecular entity -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:35406 ! oxoanion +id: CHEBI:76413 +name: greenhouse gas +is_a: CHEBI:51086 ! chemical role [Term] -id: CHEBI:33447 -name: phospho sugar -is_a: CHEBI:26816 ! carbohydrate phosphate -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:76414 +name: propellant +is_a: CHEBI:33232 ! application [Term] -id: CHEBI:33452 -name: benzylic group -is_a: CHEBI:33249 ! organyl group +id: CHEBI:76415 +name: (3R,7Z,10Z,13Z,16Z)-3-hydroxydocosatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33455 -name: nitrogen oxoacid -is_a: CHEBI:33408 ! pnictogen oxoacid -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:76416 +name: (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33457 -name: phosphorus oxoacid -is_a: CHEBI:33408 ! pnictogen oxoacid -is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives +id: CHEBI:76417 +name: (3R,9Z,12Z,15Z,18Z)-3-hydroxytetracosatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33458 -name: nitrogen oxoanion -is_a: CHEBI:33459 ! pnictogen oxoanion -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:76418 +name: (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33459 -name: pnictogen oxoanion -is_a: CHEBI:33302 ! pnictogen molecular entity -is_a: CHEBI:35406 ! oxoanion +id: CHEBI:76419 +name: (11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:90725 ! very long-chain 3-oxoacyl-CoA(4-) [Term] -id: CHEBI:33461 -name: phosphorus oxoanion -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:26082 ! phosphorus molecular entity -is_a: CHEBI:33459 ! pnictogen oxoanion +id: CHEBI:76420 +name: (3R,11Z,14Z,17Z,20Z)-3-hydroxyhexacosatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33462 -name: phosphonate(1-) -is_a: CHEBI:33461 ! phosphorus oxoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:76421 +name: (2E,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33465 -name: elemental pnictogen -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:33259 ! elemental molecular entity -is_a: CHEBI:33302 ! pnictogen molecular entity +id: CHEBI:76422 +name: (3R,13Z,16Z,19Z,22Z)-3-hydroxyoctacosatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:3347 -name: candesartan -is_a: CHEBI:35688 ! benzimidazolecarboxylic acid -is_a: CHEBI:48420 ! biphenylyltetrazole -relationship: has_role CHEBI:35674 ! antihypertensive agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:76423 +name: trans-2-octenedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:33482 -name: sulfur oxoanion -is_a: CHEBI:26835 ! sulfur molecular entity -is_a: CHEBI:33485 ! chalcogen oxoanion +id: CHEBI:76424 +name: quercetin O-glycoside +is_a: CHEBI:50018 ! glycosyloxyflavone [Term] -id: CHEBI:33484 -name: chalcogen oxoacid -is_a: CHEBI:24833 ! oxoacid -is_a: CHEBI:33304 ! chalcogen molecular entity -relationship: has_role CHEBI:138103 ! inorganic acid +id: CHEBI:76425 +name: (S)-3-hydroxyoctanedioyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA [Term] -id: CHEBI:33485 -name: chalcogen oxoanion -is_a: CHEBI:33304 ! chalcogen molecular entity -is_a: CHEBI:35406 ! oxoanion +id: CHEBI:76426 +name: 3-oxooctanedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:33488 -name: selenium oxoanion -is_a: CHEBI:26628 ! selenium molecular entity -is_a: CHEBI:33485 ! chalcogen oxoanion +id: CHEBI:76427 +name: trans-2-dodecenedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:33489 -name: selenium oxoacid -is_a: CHEBI:26628 ! selenium molecular entity -is_a: CHEBI:33484 ! chalcogen oxoacid +id: CHEBI:76428 +name: (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:3349 -name: candicidin D -is_a: CHEBI:25105 ! macrolide antibiotic -is_a: CHEBI:26177 ! polyene antibiotic -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:86327 ! antifungal drug +id: CHEBI:76429 +name: (S)-3-hydroxydodecanedioyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA [Term] -id: CHEBI:33490 -name: hydrogenselenate -is_a: CHEBI:33488 ! selenium oxoanion +id: CHEBI:76430 +name: (3R,15Z,18Z,21Z,24Z)-3-hydroxytriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33497 -name: transition element molecular entity -is_a: CHEBI:23367 ! molecular entity -relationship: has_part CHEBI:27081 ! transition element atom +id: CHEBI:76431 +name: (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33504 -name: alkali metal cation -is_a: CHEBI:25213 ! metal cation +id: CHEBI:76432 +name: (3R,17Z,20Z,23Z,26Z)-3-hydroxydotriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33508 -name: glyceric acid -is_a: CHEBI:33754 ! trionic acid -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76434 +name: (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33513 -name: alkaline earth cation -is_a: CHEBI:25213 ! metal cation -is_a: CHEBI:33299 ! alkaline earth molecular entity +id: CHEBI:76435 +name: (3R,19Z,22Z,25Z,28Z)-3-hydroxytetratriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33515 -name: transition element cation -is_a: CHEBI:25213 ! metal cation +id: CHEBI:76436 +name: (2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33519 -name: tellurium oxoacid -is_a: CHEBI:33305 ! tellurium molecular entity -is_a: CHEBI:33484 ! chalcogen oxoacid +id: CHEBI:76437 +name: (3R,21Z,24Z,27Z,30Z)-3-hydroxyhexatriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33520 -name: tellurium oxoanion -is_a: CHEBI:33305 ! tellurium molecular entity -is_a: CHEBI:33485 ! chalcogen oxoanion +id: CHEBI:76438 +name: (2E,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33521 -name: metal atom -is_a: CHEBI:33250 ! atom +id: CHEBI:76439 +name: 3-oxododecanedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:33522 -name: hydrogentellurite -is_a: CHEBI:33520 ! tellurium oxoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:76440 +name: (3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33526 -name: mannonate -is_a: CHEBI:33866 ! mannonates +id: CHEBI:76441 +name: (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33529 -name: idonate -is_a: CHEBI:33867 ! idonates +id: CHEBI:76442 +name: (23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33535 -name: sulfur hydride -is_a: CHEBI:26835 ! sulfur molecular entity -is_a: CHEBI:36902 ! chalcogen hydride +id: CHEBI:76443 +name: trans-2-decenedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:33540 -name: thiosulfuric acid -is_a: CHEBI:33402 ! sulfur oxoacid +id: CHEBI:76444 +name: (S)-3-hydroxydecanedioyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA [Term] -id: CHEBI:33541 -name: thiosulfate(1-) -is_a: CHEBI:33482 ! sulfur oxoanion +id: CHEBI:76445 +name: 3-oxodecanedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:33543 -name: sulfonate -is_a: CHEBI:33482 ! sulfur oxoanion +id: CHEBI:76446 +name: (3S,6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosahexaenoyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33549 -name: uronate -is_a: CHEBI:33721 ! carbohydrate acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:76447 +name: (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33551 -name: organosulfonic acid -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:33552 ! sulfonic acid derivative -is_a: CHEBI:64709 ! organic acid -relationship: has_part CHEBI:29922 ! sulfo group -relationship: has_part CHEBI:33249 ! organyl group +id: CHEBI:76448 +name: (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33552 -name: sulfonic acid derivative -is_a: CHEBI:33424 ! sulfur oxoacid derivative +id: CHEBI:76449 +name: (6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33554 -name: organosulfonate oxoanion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:76450 +name: (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:33555 -name: arenesulfonic acid -is_a: CHEBI:33551 ! organosulfonic acid -relationship: has_part CHEBI:33338 ! aryl group +id: CHEBI:76452 +name: dialuric acid +is_a: CHEBI:22693 ! barbiturates [Term] -id: CHEBI:33557 -name: aminobenzenesulfonic acid -is_a: CHEBI:33555 ! arenesulfonic acid -is_a: CHEBI:37793 ! amino sulfonic acid +id: CHEBI:76453 +name: (R)-3-hydroxyicosanoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:33558 -name: alpha-amino-acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:76454 +name: (R)-3-hydroxystearoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:33559 -name: s-block element atom -is_a: CHEBI:33250 ! atom +id: CHEBI:76455 +name: (3R,11Z,14Z,17Z)-3-hydroxyicosatrienoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33560 -name: p-block element atom -is_a: CHEBI:33318 ! main group element atom +id: CHEBI:76456 +name: (2E,11Z,14Z,17Z)-icosatetraenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33561 -name: d-block element atom -is_a: CHEBI:27081 ! transition element atom -is_a: CHEBI:33521 ! metal atom +id: CHEBI:76457 +name: (3R,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33563 -name: glycolipid -is_a: CHEBI:35740 ! liposaccharide +id: CHEBI:76458 +name: (2E,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33566 -name: catechols -is_a: CHEBI:33570 ! benzenediols +id: CHEBI:76459 +name: (R)-3-hydroxybehenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:33567 -name: catecholamine -is_a: CHEBI:25375 ! monoamine molecular messenger -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:64365 ! aralkylamino compound +id: CHEBI:76460 +name: (3R,7Z,10Z,13Z,16Z,19Z)-3-hydroxydocosapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33568 -name: adrenaline -is_a: CHEBI:33567 ! catecholamine -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76461 +name: (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33569 -name: noradrenaline -is_a: CHEBI:33567 ! catecholamine -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:76462 +name: (3R,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33570 -name: benzenediols -is_a: CHEBI:33853 ! phenols +id: CHEBI:76463 +name: (R)-3-hydroxylignoceroyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33572 -name: resorcinols -is_a: CHEBI:33570 ! benzenediols +id: CHEBI:76464 +name: (2E,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33573 -name: tetrol -is_a: CHEBI:26191 ! polyol +id: CHEBI:76465 +name: (R)-3-hydroxycerotoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33575 -name: carboxylic acid -is_a: CHEBI:35605 ! carbon oxoacid -is_a: CHEBI:36586 ! carbonyl compound -is_a: CHEBI:64709 ! organic acid -relationship: has_part CHEBI:46883 ! carboxy group +id: CHEBI:76466 +name: (3R,11Z,14Z,17Z,20Z,23Z)-3-hydroxyhexacosapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33576 -name: sulfur-containing carboxylic acid -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:76467 +name: (2E,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33579 -name: main group molecular entity -is_a: CHEBI:23367 ! molecular entity -relationship: has_part CHEBI:33318 ! main group element atom +id: CHEBI:76468 +name: (3R,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33581 -name: boron group molecular entity -is_a: CHEBI:33675 ! p-block molecular entity -relationship: has_part CHEBI:33317 ! boron group element atom +id: CHEBI:76469 +name: (2E,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33582 -name: carbon group molecular entity -is_a: CHEBI:33675 ! p-block molecular entity -relationship: has_part CHEBI:33306 ! carbon group element atom +id: CHEBI:76470 +name: (3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33585 -name: lead molecular entity -is_a: CHEBI:33582 ! carbon group molecular entity -relationship: has_part CHEBI:25016 ! lead atom +id: CHEBI:76471 +name: (2E,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33595 -name: cyclic compound -is_a: CHEBI:25367 ! molecule +id: CHEBI:76472 +name: (R)-3-hydroxymontanoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33597 -name: homocyclic compound -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:76473 +name: (3R,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33598 -name: carbocyclic compound -is_a: CHEBI:33597 ! homocyclic compound -is_a: CHEBI:33832 ! organic cyclic compound +id: CHEBI:76474 +name: (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33599 -name: spiro compound -is_a: CHEBI:33635 ! polycyclic compound +id: CHEBI:76475 +name: (3R,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33608 -name: hydrogen molecular entity -is_a: CHEBI:33674 ! s-block molecular entity -relationship: has_part CHEBI:49637 ! hydrogen atom +id: CHEBI:76476 +name: (2E,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33619 -name: boron oxoanion -is_a: CHEBI:22916 ! boron molecular entity -is_a: CHEBI:35406 ! oxoanion +id: CHEBI:76477 +name: (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33620 -name: aluminium molecular entity -is_a: CHEBI:33581 ! boron group molecular entity -relationship: has_part CHEBI:28984 ! aluminium atom +id: CHEBI:76478 +name: dibutyrin +is_a: CHEBI:18035 ! diglyceride +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:50477 ! butyrate ester +is_a: CHEBI:51307 ! diester [Term] -id: CHEBI:33624 -name: bromophenol -is_a: CHEBI:37149 ! bromobenzenes -is_a: CHEBI:38856 ! halophenol +id: CHEBI:76479 +name: (2E,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33625 -name: dibromophenol -is_a: CHEBI:33624 ! bromophenol +id: CHEBI:76481 +name: (3R,23Z,26Z,29Z,32Z,35Z)-3-hydroxyoctatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33628 -name: elemental aluminium -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:33259 ! elemental molecular entity -is_a: CHEBI:33620 ! aluminium molecular entity +id: CHEBI:76483 +name: (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33635 -name: polycyclic compound -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:76484 +name: (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33636 -name: bicyclic compound -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:76485 +name: (R)-3-hydroxymelissoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33637 -name: ortho-fused compound -is_a: CHEBI:35293 ! fused compound +id: CHEBI:76490 +name: trans-2-octacosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33639 -name: ortho- and peri-fused compound -is_a: CHEBI:35293 ! fused compound +id: CHEBI:76491 +name: (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:33641 -name: olefin -is_a: CHEBI:24632 ! hydrocarbon -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:76492 +name: trans-2-triacontenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33642 -name: cyclic olefin -is_a: CHEBI:33641 ! olefin -is_a: CHEBI:33654 ! alicyclic compound +id: CHEBI:76493 +name: (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33643 -name: cycloalkene -is_a: CHEBI:33664 ! monocyclic hydrocarbon -is_a: CHEBI:36403 ! monocyclic olefin +id: CHEBI:76494 +name: (3R,10Z,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosahexaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:33644 -name: acetylenes -is_a: CHEBI:24632 ! hydrocarbon -is_a: CHEBI:73474 ! acetylenic compound +id: CHEBI:76495 +name: (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33645 -name: acyclic olefin -is_a: CHEBI:33641 ! olefin +id: CHEBI:76496 +name: (3R,12Z,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:33646 -name: alkadiene -is_a: CHEBI:33645 ! acyclic olefin +id: CHEBI:76497 +name: (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33650 -name: acyclic acetylene -is_a: CHEBI:33644 ! acetylenes +id: CHEBI:76498 +name: coral metabolite +is_a: CHEBI:75767 ! animal metabolite +is_a: CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:33653 -name: aliphatic compound -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:76500 +name: melissoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33654 -name: alicyclic compound -is_a: CHEBI:33598 ! carbocyclic compound -is_a: CHEBI:33653 ! aliphatic compound +id: CHEBI:76502 +name: (3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33655 -name: aromatic compound -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:76503 +name: monobutyrin +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:50477 ! butyrate ester [Term] -id: CHEBI:33658 -name: arene -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:33663 ! cyclic hydrocarbon +id: CHEBI:76504 +name: (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33659 -name: organic aromatic compound -is_a: CHEBI:33655 ! aromatic compound -is_a: CHEBI:33832 ! organic cyclic compound +id: CHEBI:76505 +name: (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33661 -name: monocyclic compound -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:76506 +name: (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33662 -name: annulene -is_a: CHEBI:33664 ! monocyclic hydrocarbon +id: CHEBI:76507 +name: marine metabolite +is_a: CHEBI:25212 ! metabolite [Term] -id: CHEBI:33663 -name: cyclic hydrocarbon -is_a: CHEBI:24632 ! hydrocarbon -is_a: CHEBI:33598 ! carbocyclic compound +id: CHEBI:76508 +name: (3R,11Z)-3-hydroxyicosenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33664 -name: monocyclic hydrocarbon -is_a: CHEBI:33663 ! cyclic hydrocarbon +id: CHEBI:76509 +name: (2E,11Z)-icosadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33666 -name: polycyclic hydrocarbon -is_a: CHEBI:33663 ! cyclic hydrocarbon -is_a: CHEBI:35294 ! carbopolycyclic compound +id: CHEBI:76511 +name: (3R,13Z)-3-hydroxydocosenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:33670 -name: heteromonocyclic compound -is_a: CHEBI:33661 ! monocyclic compound -is_a: CHEBI:5686 ! heterocyclic compound +id: CHEBI:76513 +name: (3R,18Z,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontahexaenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) + +[Term] +id: CHEBI:76514 +name: (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33671 -name: heteropolycyclic compound -is_a: CHEBI:33635 ! polycyclic compound -is_a: CHEBI:5686 ! heterocyclic compound +id: CHEBI:76515 +name: (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33672 -name: heterobicyclic compound -is_a: CHEBI:33636 ! bicyclic compound -is_a: CHEBI:5686 ! heterocyclic compound +id: CHEBI:76520 +name: (2E,13Z)-docosadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:33673 -name: zinc group molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33340 ! zinc group element atom +id: CHEBI:76522 +name: (3R,15Z)-3-hydroxytetracosenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33674 -name: s-block molecular entity -is_a: CHEBI:33579 ! main group molecular entity -relationship: has_part CHEBI:33559 ! s-block element atom +id: CHEBI:76523 +name: (2E,15Z)-tetracosadienoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33675 -name: p-block molecular entity -is_a: CHEBI:33579 ! main group molecular entity -relationship: has_part CHEBI:33560 ! p-block element atom +id: CHEBI:76524 +name: (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33676 -name: d-block molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -relationship: has_part CHEBI:33561 ! d-block element atom +id: CHEBI:76526 +name: 6-oxocyclohex-1-ene-1-carbonyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:33692 -name: hydrides -is_a: CHEBI:33608 ! hydrogen molecular entity -is_a: CHEBI:37577 ! heteroatomic molecular entity +id: CHEBI:76527 +name: 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:33693 -name: oxygen hydride -is_a: CHEBI:36902 ! chalcogen hydride +id: CHEBI:76529 +name: glycerophosphoglycerophosphoglycerol(2-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:33694 -name: biomacromolecule -is_a: CHEBI:33839 ! macromolecule -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:76530 +name: sn-glycero-3-monophosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) [Term] -id: CHEBI:33695 -name: information biomacromolecule -is_a: CHEBI:33694 ! biomacromolecule +id: CHEBI:76532 +name: (2E,11Z,14Z)-icosatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33696 -name: nucleic acid -is_a: CHEBI:15986 ! polynucleotide -relationship: has_part CHEBI:33791 ! canonical nucleoside residue -relationship: has_part CHEBI:50297 ! canonical nucleotide residue +id: CHEBI:76533 +name: NDP-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:33697 -name: ribonucleic acid -is_a: CHEBI:33696 ! nucleic acid -relationship: has_part CHEBI:33792 ! canonical ribonucleoside residue -relationship: has_part CHEBI:50299 ! canonical ribonucleotide residue +id: CHEBI:76534 +name: (11Z,14Z)-icosadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33699 -name: messenger RNA -is_a: CHEBI:33697 ! ribonucleic acid +id: CHEBI:76535 +name: [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:33700 -name: proteinogenic amino-acid residue -is_a: CHEBI:33710 ! alpha-amino-acid residue +id: CHEBI:76536 +name: (3R,8Z,11Z,14Z)-3-hydroxyicosatrienoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33702 -name: polyatomic cation -is_a: CHEBI:36358 ! polyatomic ion -is_a: CHEBI:36916 ! cation +id: CHEBI:76538 +name: (2E,8Z,11Z,14Z)-icosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33703 -name: amino-acid cation -is_a: CHEBI:33702 ! polyatomic cation +id: CHEBI:76539 +name: [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n (1-) +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:33704 -name: alpha-amino acid -is_a: CHEBI:33709 ! amino acid +id: CHEBI:76541 +name: (3R,7Z,10Z,13Z,16Z)-3-hydroxydocosatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33706 -name: beta-amino acid -is_a: CHEBI:83820 ! non-proteinogenic amino acid +id: CHEBI:76542 +name: (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33707 -name: gamma-amino acid -is_a: CHEBI:83820 ! non-proteinogenic amino acid +id: CHEBI:76543 +name: (3R,9Z,12Z,15Z,18Z)-3-hydroxytetracosatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33708 -name: amino-acid residue -is_a: CHEBI:33247 ! organic group +id: CHEBI:76545 +name: 2-iminobutanoic acid zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:33709 -name: amino acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:76547 +name: (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33710 -name: alpha-amino-acid residue -is_a: CHEBI:33708 ! amino-acid residue +id: CHEBI:76548 +name: (11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33719 -name: alpha-amino-acid cation -is_a: CHEBI:33703 ! amino-acid cation +id: CHEBI:76549 +name: (3R,11Z,14Z,17Z,20Z)-3-hydroxyhexacosatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33720 -name: carbohydrate acid -is_a: CHEBI:16646 ! carbohydrate -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:76550 +name: (2E,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33721 -name: carbohydrate acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:76552 +name: (9Z,12Z)-hexadecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33727 -name: proteinogenic amino-acid residue cation -is_a: CHEBI:33700 ! proteinogenic amino-acid residue -is_a: CHEBI:35415 ! alpha-amino-acid residue cation +id: CHEBI:76553 +name: (3R,13Z,16Z,19Z,22Z)-3-hydroxyoctacosatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33731 -name: cluster -is_a: CHEBI:36357 ! polyatomic entity +id: CHEBI:76554 +name: (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33733 -name: heteronuclear cluster -is_a: CHEBI:33731 ! cluster +id: CHEBI:76555 +name: (11Z)-3-oxooctadecenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) [Term] -id: CHEBI:33741 -name: chromium group molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33350 ! chromium group element atom +id: CHEBI:76556 +name: (3R,15Z,18Z,21Z,24Z)-3-hydroxytriacontatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33742 -name: tungsten molecular entity -is_a: CHEBI:33741 ! chromium group molecular entity -relationship: has_part CHEBI:27998 ! tungsten +id: CHEBI:76557 +name: (3R,11Z)-3-hydroxyoctadecenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:33743 -name: manganese group molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33352 ! manganese group element atom +id: CHEBI:76558 +name: (2E,11Z)-octadecadienoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33744 -name: iron group molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33356 ! iron group element atom +id: CHEBI:76559 +name: (13Z)-3-oxoicosenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:33745 -name: copper group molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33366 ! copper group element atom +id: CHEBI:76560 +name: (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33746 -name: vanadium group molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33347 ! vanadium group element atom +id: CHEBI:76561 +name: (3R,13Z)-3-hydroxyicosenoyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:33747 -name: nickel group molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33362 ! nickel group element atom +id: CHEBI:76562 +name: (2E,13Z)-icosadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:33749 -name: platinum molecular entity -is_a: CHEBI:33747 ! nickel group molecular entity -relationship: has_part CHEBI:33364 ! platinum +id: CHEBI:76563 +name: (13Z)-icosenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:3375 -name: capsanthin -is_a: CHEBI:35310 ! carotenone -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76564 +name: (3R,17Z,20Z,23Z,26Z)-3-hydroxydotriacontatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33752 -name: hexonic acid -is_a: CHEBI:22301 ! aldonic acid +id: CHEBI:76565 +name: 2-ammonioprop-2-enoate +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:33754 -name: trionic acid -is_a: CHEBI:22301 ! aldonic acid +id: CHEBI:76566 +name: (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33760 -name: hexonate -is_a: CHEBI:22299 ! aldonate +id: CHEBI:76567 +name: polyunsaturated fatty acid anion +is_a: CHEBI:2580 ! unsaturated fatty acid anion [Term] -id: CHEBI:33763 -name: trionate -is_a: CHEBI:22299 ! aldonate +id: CHEBI:76568 +name: (3R,19Z,22Z,25Z,28Z)-3-hydroxytetratriacontatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33767 -name: cobalt group molecular entity -is_a: CHEBI:33497 ! transition element molecular entity -is_a: CHEBI:33676 ! d-block molecular entity -relationship: has_part CHEBI:33358 ! cobalt group element atom +id: CHEBI:76569 +name: (2E,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33778 -name: galactonates -is_a: CHEBI:33760 ! hexonate +id: CHEBI:76570 +name: (3R,21Z,24Z,27Z,30Z)-3-hydroxyhexatriacontatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:3378 -name: capsorubin -is_a: CHEBI:35310 ! carotenone +id: CHEBI:76571 +name: (2E,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33791 -name: canonical nucleoside residue -is_a: CHEBI:50320 ! nucleoside residue +id: CHEBI:76575 +name: monosubstituted glycerol +is_a: CHEBI:18059 ! lipid [Term] -id: CHEBI:33792 -name: canonical ribonucleoside residue -is_a: CHEBI:33791 ! canonical nucleoside residue +id: CHEBI:76578 +name: disubstituted glycerol +is_a: CHEBI:18059 ! lipid [Term] -id: CHEBI:33793 -name: canonical deoxyribonucleoside residue -is_a: CHEBI:33791 ! canonical nucleoside residue +id: CHEBI:76581 +name: 2-alkylglycerol +is_a: CHEBI:75883 ! monoalkylglycerol [Term] -id: CHEBI:33798 -name: tetraric acid anion -is_a: CHEBI:22289 ! aldaric acid anion +id: CHEBI:76582 +name: monoalkylmonoacylglycerol +is_a: CHEBI:137586 ! alkyl,acylglyceride +is_a: CHEBI:33308 ! carboxylic ester [Term] -id: CHEBI:33801 -name: D-glucarate(1-) -is_a: CHEBI:35392 ! glucarate(1-) +id: CHEBI:76583 +name: alk-1-enylacylglycerol +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:76578 ! disubstituted glycerol [Term] -id: CHEBI:33804 -name: gluconates -is_a: CHEBI:33760 ! hexonate +id: CHEBI:76584 +name: monoalkyldiacylglycerol +is_a: CHEBI:24353 ! glycerol ether +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid +is_a: CHEBI:64611 ! ether lipid [Term] -id: CHEBI:33808 -name: galacturonic acids -is_a: CHEBI:24592 ! hexuronic acid +id: CHEBI:76585 +name: 1-alkyl-2,3-diacyl-sn-glycerol +is_a: CHEBI:36727 ! 1-alkyl-2,3-diacylglycerol [Term] -id: CHEBI:33812 -name: galacturonates -is_a: CHEBI:24591 ! hexuronate +id: CHEBI:76590 +name: 1-organyl-2-lyso-sn-glycero-3-phospholipid(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:33822 -name: organic hydroxy compound -is_a: CHEBI:24651 ! hydroxides -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:76591 +name: (25R)-cholest-5-ene-3beta,26-diol +is_a: CHEBI:17703 ! 26-hydroxycholesterol +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:33823 -name: enol -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:76592 +name: (25R)-7alpha,26-dihydroxycholesterol +is_a: CHEBI:18431 ! 7alpha,26-dihydroxycholesterol [Term] -id: CHEBI:33830 -name: galacturonic acid -is_a: CHEBI:33808 ! galacturonic acids -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:76593 +name: 1-acyl-2-[(Z)-9,10-enoyl]-sn-glycero-3-phospholipid(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:33832 -name: organic cyclic compound -is_a: CHEBI:33595 ! cyclic compound -is_a: CHEBI:72695 ! organic molecule +id: CHEBI:76594 +name: 1-acyl-2-(9,10-methyleneacyl)-sn-glycero-3-phospholipid(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:33833 -name: heteroarene -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:76595 +name: nephroprotective agent +is_a: CHEBI:50267 ! protective agent [Term] -id: CHEBI:33836 -name: benzenoid aromatic compound -is_a: CHEBI:33598 ! carbocyclic compound -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:76596 +name: ADP-D-ribose 1'',2''-cyclic phosphate(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:33837 -name: conjugated protein -is_a: CHEBI:36080 ! protein +id: CHEBI:766 +name: estriol 16-O-(beta-D-glucuronide) +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:33838 -name: nucleoside -is_a: CHEBI:21731 ! N-glycosyl compound -is_a: CHEBI:26912 ! oxolanes -is_a: CHEBI:61120 ! nucleobase-containing molecular entity +id: CHEBI:76608 +name: 2-iminopropionic acid +is_a: CHEBI:23591 ! dehydroamino acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33272 ! ketimine [Term] -id: CHEBI:33839 -name: macromolecule -is_a: CHEBI:36357 ! polyatomic entity +id: CHEBI:76610 +name: omega-hydroxytetracosanoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:33842 -name: aromatic annulene -is_a: CHEBI:33662 ! annulene -is_a: CHEBI:33847 ! monocyclic arene +id: CHEBI:76613 +name: 3-hydroxypalmitate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion [Term] -id: CHEBI:33847 -name: monocyclic arene -is_a: CHEBI:33658 ! arene +id: CHEBI:76614 +name: 3-hydroxyoctadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion [Term] -id: CHEBI:33848 -name: polycyclic arene -is_a: CHEBI:33658 ! arene -is_a: CHEBI:33666 ! polycyclic hydrocarbon -relationship: has_role CHEBI:138015 ! endocrine disruptor -relationship: has_role CHEBI:50903 ! carcinogenic agent +id: CHEBI:76615 +name: 3,18-dihydroxyoctadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:33853 -name: phenols -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:76616 +name: 3-hydroxylaurate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion [Term] -id: CHEBI:33854 -name: aromatic alcohol -is_a: CHEBI:30879 ! alcohol -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:76617 +name: EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor +is_a: CHEBI:38637 ! tyrosine kinase inhibitor +is_a: CHEBI:76817 ! EC 2.7.10.* (protein-tyrosine kinase) inhibitor [Term] -id: CHEBI:33855 -name: arenecarbaldehyde -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:76618 +name: 3,12-dihydroxylaurate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:33856 -name: aromatic amino acid -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:33709 ! amino acid +id: CHEBI:76619 +name: omega-methyl fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion [Term] -id: CHEBI:33857 -name: aromatic primary alcohol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:33854 ! aromatic alcohol +id: CHEBI:76621 +name: (3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33859 -name: aromatic carboxylic acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:76623 +name: (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33860 -name: aromatic amine -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:76624 +name: 20-HETE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:33861 -name: transition element coordination entity -is_a: CHEBI:33240 ! coordination entity -is_a: CHEBI:33497 ! transition element molecular entity +id: CHEBI:76625 +name: 11,12-EET(1-) +is_a: CHEBI:131865 ! EET(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:33862 -name: platinum coordination entity -is_a: CHEBI:33749 ! platinum molecular entity -is_a: CHEBI:33861 ! transition element coordination entity +id: CHEBI:76626 +name: (23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33865 -name: rhamnonates -is_a: CHEBI:33760 ! hexonate +id: CHEBI:76627 +name: 19-HETE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:84497 ! (omega-1)-hydroxy fatty acid anion [Term] -id: CHEBI:33866 -name: mannonates -is_a: CHEBI:33760 ! hexonate +id: CHEBI:76628 +name: 11-hydroxylaurate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:84497 ! (omega-1)-hydroxy fatty acid anion [Term] -id: CHEBI:33867 -name: idonates -is_a: CHEBI:33760 ! hexonate +id: CHEBI:76629 +name: 2-lysophosphatidic acid +is_a: CHEBI:132742 ! lysophosphatidic acid [Term] -id: CHEBI:33871 -name: glycerate -is_a: CHEBI:24347 ! glycerates -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76631 +name: 1-lysophosphatidic acid +is_a: CHEBI:132742 ! lysophosphatidic acid [Term] -id: CHEBI:33885 -name: alpha-D-galacturonic acid -is_a: CHEBI:4153 ! D-galactopyranuronic acid +id: CHEBI:76633 +name: 17,18-EETeTr(1-) +is_a: CHEBI:131873 ! EpETE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:33886 -name: glucuronic acids -is_a: CHEBI:24592 ! hexuronic acid +id: CHEBI:76634 +name: 17(R),18(S)-EETeTr(1-) +is_a: CHEBI:131873 ! EpETE(1-) +is_a: CHEBI:76633 ! 17,18-EETeTr(1-) [Term] -id: CHEBI:33888 -name: cobalt molecular entity -is_a: CHEBI:33767 ! cobalt group molecular entity -relationship: has_part CHEBI:27638 ! cobalt atom +id: CHEBI:76635 +name: 17(S),18(R)-EETeTr(1-) +is_a: CHEBI:131873 ! EpETE(1-) +is_a: CHEBI:76633 ! 17,18-EETeTr(1-) [Term] -id: CHEBI:33890 -name: cobalt coordination entity -is_a: CHEBI:33861 ! transition element coordination entity -is_a: CHEBI:33888 ! cobalt molecular entity +id: CHEBI:76636 +name: 19-HEPE(1-) +is_a: CHEBI:131874 ! HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:84497 ! (omega-1)-hydroxy fatty acid anion [Term] -id: CHEBI:33892 -name: iron coordination entity -is_a: CHEBI:24873 ! iron molecular entity -is_a: CHEBI:33861 ! transition element coordination entity +id: CHEBI:76637 +name: (3R,11Z,14Z,17Z)-3-hydroxyicosatrienoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33893 -name: reagent -is_a: CHEBI:33232 ! application +id: CHEBI:76638 +name: (2E,11Z,14Z,17Z)-icosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33903 -name: glucuronates -is_a: CHEBI:24591 ! hexuronate +id: CHEBI:76639 +name: 20-HEPE(1-) +is_a: CHEBI:131874 ! HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:33906 -name: cobalt corrinoid -is_a: CHEBI:33890 ! cobalt coordination entity -is_a: CHEBI:33909 ! metallotetrapyrrole -is_a: CHEBI:33913 ! corrinoid +id: CHEBI:76640 +name: (3R,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33909 -name: metallotetrapyrrole -is_a: CHEBI:36309 ! cyclic tetrapyrrole +id: CHEBI:76641 +name: (2E,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:3391 -name: carbazole -is_a: CHEBI:36416 ! mancude organic heterotricyclic parent -is_a: CHEBI:38180 ! polycyclic heteroarene -is_a: CHEBI:48513 ! carbazoles +id: CHEBI:76642 +name: (3R,7Z,10Z,13Z,16Z,19Z)-3-hydroxydocosapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33913 -name: corrinoid -is_a: CHEBI:36309 ! cyclic tetrapyrrole +id: CHEBI:76643 +name: (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:33914 -name: aldotriose -is_a: CHEBI:15693 ! aldose -is_a: CHEBI:27137 ! triose +id: CHEBI:76644 +name: (3R,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33916 -name: aldopentose -is_a: CHEBI:15693 ! aldose -is_a: CHEBI:25901 ! pentose +id: CHEBI:76645 +name: 20-oxoarachidonate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76309 ! omega-oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:33917 -name: aldohexose -is_a: CHEBI:15693 ! aldose -is_a: CHEBI:18133 ! hexose +id: CHEBI:76646 +name: (2E,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:3392 -name: carbendazim -is_a: CHEBI:22715 ! benzimidazoles -is_a: CHEBI:23003 ! carbamate ester -is_a: CHEBI:87036 ! benzimidazole fungicide -is_a: CHEBI:87064 ! benzimidazolylcarbamate fungicide -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35444 ! antinematodal drug -relationship: has_role CHEBI:61951 ! microtubule-destabilising agent -relationship: has_role CHEBI:86328 ! antifungal agrochemical +id: CHEBI:76647 +name: (5Z,8Z,11Z,14Z)-icosatetraenedioate +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion [Term] -id: CHEBI:33937 -name: macronutrient -is_a: CHEBI:33284 ! nutrient +id: CHEBI:76650 +name: (3R,11Z,14Z,17Z,20Z,23Z)-3-hydroxyhexacosapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33942 -name: ribose -is_a: CHEBI:33916 ! aldopentose +id: CHEBI:76651 +name: (2E,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33954 -name: tagatose -is_a: CHEBI:24973 ! ketohexose +id: CHEBI:76652 +name: (3R,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33957 -name: xylulose derivative -is_a: CHEBI:63405 ! ketopentose derivative +id: CHEBI:76653 +name: (2E,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33958 -name: halide salt -is_a: CHEBI:24866 ! salt -is_a: CHEBI:37578 ! halide -relationship: has_part CHEBI:16042 ! halide anion +id: CHEBI:76654 +name: (3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33964 -name: silver molecular entity -is_a: CHEBI:33745 ! copper group molecular entity -relationship: has_part CHEBI:30512 ! silver atom +id: CHEBI:76655 +name: EC 2.1.* (C1-transferase) inhibitor +is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] -id: CHEBI:33966 -name: elemental silver -is_a: CHEBI:33964 ! silver molecular entity +id: CHEBI:76656 +name: (2E,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33969 -name: gold molecular entity -is_a: CHEBI:33745 ! copper group molecular entity -relationship: has_part CHEBI:29287 ! gold atom +id: CHEBI:76657 +name: (3R,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA + +[Term] +id: CHEBI:76658 +name: (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33970 -name: elemental gold -is_a: CHEBI:33969 ! gold molecular entity +id: CHEBI:76659 +name: (3R,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33973 -name: elemental magnesium -is_a: CHEBI:25108 ! magnesium molecular entity +id: CHEBI:76660 +name: EC 2.2.* (aldehyde or ketone transferase) inhibitor +is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] -id: CHEBI:33976 -name: magnesium coordination entity -is_a: CHEBI:25108 ! magnesium molecular entity -is_a: CHEBI:35217 ! alkaline earth coordination entity +id: CHEBI:76661 +name: EC 2.3.* (acyltransferase) inhibitor +is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] -id: CHEBI:33980 -name: quinovose -is_a: CHEBI:23623 ! deoxyglucose -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76662 +name: EC 2.4.* (glycosyltransferase) inhibitor +is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] -id: CHEBI:33983 -name: deoxymannose -is_a: CHEBI:23628 ! deoxyhexose +id: CHEBI:76663 +name: EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor +is_a: CHEBI:76834 ! EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] -id: CHEBI:33984 -name: fucose -is_a: CHEBI:18133 ! hexose -is_a: CHEBI:23622 ! deoxygalactose +id: CHEBI:76664 +name: (2E,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:33985 -name: muramates -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:76665 +name: EC 2.6.* (nitrogenous group transferase) inhibitor +is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] -id: CHEBI:33986 -name: muramate -is_a: CHEBI:33985 ! muramates +id: CHEBI:76666 +name: (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:340863 -name: 2-phospholactic acid -is_a: CHEBI:36952 ! carboxyalkyl phosphate +id: CHEBI:76667 +name: (2E,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:3424 -name: carnitinium -is_a: CHEBI:35267 ! quaternary ammonium ion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76668 +name: EC 2.7.* (P-containing group transferase) inhibitor +is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] -id: CHEBI:34317 -name: 3,3',4,4',5-pentachlorobiphenyl -is_a: CHEBI:27096 ! trichlorobenzene -is_a: CHEBI:36721 ! pentachlorobiphenyl +id: CHEBI:76669 +name: (3R,23Z,26Z,29Z,32Z,35Z)-3-hydroxyoctatriacontapentaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:34342 -name: 3-methylcholanthrene -is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:72768 ! aryl hydrocarbon receptor agonist +id: CHEBI:76670 +name: (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:34687 -name: dibutyl phthalate -is_a: CHEBI:35484 ! phthalate ester -is_a: CHEBI:51307 ! diester -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant -relationship: has_role CHEBI:79056 ! plasticiser +id: CHEBI:76671 +name: (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:34768 -name: furfural -is_a: CHEBI:17478 ! aldehyde -is_a: CHEBI:24129 ! furans -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:77523 ! Maillard reaction product +id: CHEBI:76672 +name: (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:34779 -name: glyoxal -is_a: CHEBI:38124 ! dialdehyde -relationship: has_role CHEBI:25944 ! pesticide -relationship: has_role CHEBI:33286 ! agrochemical -relationship: has_role CHEBI:50904 ! allergen +id: CHEBI:76673 +name: (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:34848 -name: mevastatin -is_a: CHEBI:18946 ! delta-lactone -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:36785 ! carbobicyclic compound -is_a: CHEBI:87632 ! statin (naturally occurring) -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:68495 ! apoptosis inducer -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:76964 ! Penicillium metabolite -relationship: has_role CHEBI:77255 ! EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor +id: CHEBI:76675 +name: (3R,10Z,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosahexaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:34892 -name: nocodazole -is_a: CHEBI:22715 ! benzimidazoles -is_a: CHEBI:23003 ! carbamate ester -is_a: CHEBI:26961 ! thiophenes -is_a: CHEBI:76224 ! aromatic ketone -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:60832 ! tubulin modulator -relationship: has_role CHEBI:61951 ! microtubule-destabilising agent -relationship: has_role CHEBI:64911 ! antimitotic +id: CHEBI:76678 +name: (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:34905 -name: paraquat -is_a: CHEBI:25697 ! organic cation -relationship: has_role CHEBI:24527 ! herbicide +id: CHEBI:76679 +name: (3R,12Z,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontahexaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35008 -name: tetralin -is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon -is_a: CHEBI:36786 ! tetralins +id: CHEBI:76680 +name: (2E,12Z,15Z,18Z,21Z,24Z,27Z)-triacontaheptaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35026 -name: triethylamine -is_a: CHEBI:32876 ! tertiary amine +id: CHEBI:76682 +name: (3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:350546 -name: serotonin(1+) -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76683 +name: (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35063 -name: alpha-zeacarotene -is_a: CHEBI:139115 ! carotenoid epsilon-end group -is_a: CHEBI:35163 ! cyclic carotene +id: CHEBI:76684 +name: (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35106 -name: nitrogen hydride -is_a: CHEBI:35881 ! pnictogen hydride -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:76685 +name: (2E,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontaheptaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35107 -name: azane -is_a: CHEBI:35106 ! nitrogen hydride +id: CHEBI:76686 +name: (3R,18Z,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontahexaenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35113 -name: elemental mercury -is_a: CHEBI:25196 ! mercury molecular entity +id: CHEBI:76687 +name: (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35115 -name: elemental manganese -is_a: CHEBI:25154 ! manganese molecular entity +id: CHEBI:76688 +name: (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:35131 -name: aldose phosphate -is_a: CHEBI:33447 ! phospho sugar +id: CHEBI:76695 +name: EC 5.4.* (intramolecular transferase) inhibitor +is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor [Term] -id: CHEBI:35132 -name: ketose phosphate -is_a: CHEBI:33447 ! phospho sugar +id: CHEBI:76697 +name: EC 5.99.* (other isomerases) inhibitor +is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor [Term] -id: CHEBI:35134 -name: metalloprotein -is_a: CHEBI:33837 ! conjugated protein +id: CHEBI:76706 +name: EC 6.1.* (C-O bond-forming ligase) inhibitor +is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] -id: CHEBI:35135 -name: iron-sulfur protein -is_a: CHEBI:35136 ! iron protein -relationship: has_part CHEBI:30408 ! iron-sulfur cluster +id: CHEBI:76709 +name: 3-hydroxyicosanoate +is_a: CHEBI:139194 ! hydroxy fatty acid anion 20:0 +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion [Term] -id: CHEBI:35136 -name: iron protein -is_a: CHEBI:35134 ! metalloprotein +id: CHEBI:7671 +name: O-acetylhomoserine +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:35137 -name: hemoprotein -is_a: CHEBI:35136 ! iron protein -relationship: has_part CHEBI:30413 ! heme +id: CHEBI:76710 +name: EC 4.* (lyase) inhibitor +is_a: CHEBI:23924 ! enzyme inhibitor [Term] -id: CHEBI:35142 -name: aldotriose phosphate -is_a: CHEBI:35131 ! aldose phosphate +id: CHEBI:76711 +name: EC 4.1.* (C-C lyase) inhibitor +is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] -id: CHEBI:35143 -name: hemoglobin -is_a: CHEBI:5386 ! globin +id: CHEBI:76712 +name: EC 4.2.* (C-O lyase) inhibitor +is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] -id: CHEBI:35155 -name: elemental calcium -is_a: CHEBI:22985 ! calcium molecular entity +id: CHEBI:76713 +name: EC 4.3.* (C-N lyase) inhibitor +is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] -id: CHEBI:35157 -name: aldoheptose phosphate -is_a: CHEBI:35131 ! aldose phosphate +id: CHEBI:76714 +name: EC 4.4.* (C-S lyase) inhibitor +is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] -id: CHEBI:35158 -name: ribose bisphosphate -is_a: CHEBI:26562 ! ribose phosphate +id: CHEBI:76722 +name: 2-hydroxybehenate +is_a: CHEBI:139195 ! 2-hydroxy fatty acid anion 22:0 +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:35159 -name: ribose monophosphate -is_a: CHEBI:26562 ! ribose phosphate +id: CHEBI:76723 +name: 2-hydroxylignocerate +is_a: CHEBI:139197 ! 2-hydroxy fatty acid anion 24:0 +is_a: CHEBI:58950 ! very long-chain fatty acid anion [Term] -id: CHEBI:35162 -name: acyclic carotene -is_a: CHEBI:23042 ! carotene +id: CHEBI:76724 +name: 2-hydroxyoctadecanoate +is_a: CHEBI:139191 ! 2-hydroxy fatty acid anion 18:0 +is_a: CHEBI:57560 ! long-chain fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:35163 -name: cyclic carotene -is_a: CHEBI:23042 ! carotene +id: CHEBI:76725 +name: EC 1.* (oxidoreductase) inhibitor +is_a: CHEBI:23924 ! enzyme inhibitor [Term] -id: CHEBI:35166 -name: vanadium coordination entity -is_a: CHEBI:27275 ! vanadium molecular entity -is_a: CHEBI:33861 ! transition element coordination entity +id: CHEBI:76726 +name: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35168 -name: hydrogenvanadate -is_a: CHEBI:30528 ! vanadium oxoanion -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:76727 +name: EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35169 -name: dihydrogenvanadate -is_a: CHEBI:30528 ! vanadium oxoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:76728 +name: 2-hydroxycerotate +is_a: CHEBI:139199 ! 2-hydroxy fatty acid anion 26:0 +is_a: CHEBI:58950 ! very long-chain fatty acid anion [Term] -id: CHEBI:35171 -name: elemental vanadium -is_a: CHEBI:27275 ! vanadium molecular entity +id: CHEBI:76729 +name: EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35172 -name: vanadium cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:35171 ! elemental vanadium +id: CHEBI:76730 +name: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35175 -name: sulfate salt -is_a: CHEBI:24866 ! salt -is_a: CHEBI:26820 ! sulfates +id: CHEBI:76731 +name: EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35179 -name: 2-oxo monocarboxylic acid anion -is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +id: CHEBI:76732 +name: 2-hydroxyarachidate +is_a: CHEBI:139193 ! 2-hydroxy fatty acid anion 20:0 [Term] -id: CHEBI:35184 -name: gluconic acid phosphate -is_a: CHEBI:22300 ! aldonic acid phosphate +id: CHEBI:76733 +name: EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35186 -name: terpene -is_a: CHEBI:24632 ! hydrocarbon -is_a: CHEBI:24913 ! isoprenoid +id: CHEBI:76735 +name: EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35187 -name: monoterpene -is_a: CHEBI:35186 ! terpene +id: CHEBI:76736 +name: EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35188 -name: hemiterpene -is_a: CHEBI:35186 ! terpene +id: CHEBI:76737 +name: EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35189 -name: sesquiterpene -is_a: CHEBI:35186 ! terpene +id: CHEBI:76738 +name: EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35190 -name: diterpene -is_a: CHEBI:35186 ! terpene +id: CHEBI:76740 +name: EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35191 -name: triterpene -is_a: CHEBI:35186 ! terpene +id: CHEBI:76741 +name: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35193 -name: tetraterpene -is_a: CHEBI:35186 ! terpene +id: CHEBI:76744 +name: EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35194 -name: isoprene -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:33646 ! alkadiene -is_a: CHEBI:35188 ! hemiterpene -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:76748 +name: EC 1.21.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond) inhibitor +is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] -id: CHEBI:35195 -name: surfactant -is_a: CHEBI:63046 ! emulsifier +id: CHEBI:76759 +name: EC 3.* (hydrolase) inhibitor +is_a: CHEBI:23924 ! enzyme inhibitor [Term] -id: CHEBI:35196 -name: nitrogen oxide -is_a: CHEBI:24836 ! inorganic oxide -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:7676 +name: O-butanoylcarnitine +is_a: CHEBI:50477 ! butyrate ester +is_a: CHEBI:86490 ! C4-acylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:35202 -name: molybdenum coordination entity -is_a: CHEBI:25370 ! molybdenum molecular entity -is_a: CHEBI:33861 ! transition element coordination entity +id: CHEBI:76760 +name: EC 3.1.* (ester hydrolase) inhibitor +is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] -id: CHEBI:35203 -name: molybdopterins -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester -is_a: CHEBI:63169 ! pyranopterin +id: CHEBI:76761 +name: EC 3.2.* (glycosylase) inhibitor +is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] -id: CHEBI:35204 -name: tracer -is_a: CHEBI:33232 ! application -relationship: has_part CHEBI:35209 ! label +id: CHEBI:76764 +name: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor +is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] -id: CHEBI:35209 -name: label -is_a: CHEBI:33232 ! application +id: CHEBI:76770 +name: EC 3.11.* (hydrolases acting on C-P bonds) inhibitor +is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] -id: CHEBI:35213 -name: cyclodepsipeptide -is_a: CHEBI:23643 ! depsipeptide -is_a: CHEBI:25000 ! lactone +id: CHEBI:76773 +name: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor +is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] -id: CHEBI:35217 -name: alkaline earth coordination entity -is_a: CHEBI:33299 ! alkaline earth molecular entity -is_a: CHEBI:36562 ! main-group coordination entity +id: CHEBI:76775 +name: EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor +is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] -id: CHEBI:35218 -name: anthocyanin cation -is_a: CHEBI:24400 ! glycoside -is_a: CHEBI:47916 ! flavonoid -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:76778 +name: IMP residue +is_a: CHEBI:50299 ! canonical ribonucleotide residue [Term] -id: CHEBI:35219 -name: plant growth retardant -is_a: CHEBI:26155 ! plant growth regulator +id: CHEBI:76779 +name: EC 3.4.21.26 (prolyl oligopeptidase) inhibitor +is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor [Term] -id: CHEBI:35221 -name: antimetabolite -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:76782 +name: EC 3.4.15.* (peptidyl-dipeptidase) inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] -id: CHEBI:35222 -name: inhibitor -is_a: CHEBI:24432 ! biological role +id: CHEBI:76785 +name: EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor +is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] -id: CHEBI:35223 -name: catalyst -is_a: CHEBI:51086 ! chemical role +id: CHEBI:76787 +name: EC 3.4.11.* (aminopeptidase) inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] -id: CHEBI:35224 -name: effector -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:76788 +name: EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] -id: CHEBI:35225 -name: buffer -is_a: CHEBI:51086 ! chemical role +id: CHEBI:76789 +name: EC 2.4.1.* (hexosyltransferase) inhibitor +is_a: CHEBI:76662 ! EC 2.4.* (glycosyltransferase) inhibitor [Term] -id: CHEBI:35227 -name: 4-nitrotoluene -is_a: CHEBI:63171 ! mononitrotoluene +id: CHEBI:76790 +name: EC 2.4.2.* (pentosyltransferase) inhibitor +is_a: CHEBI:76662 ! EC 2.4.* (glycosyltransferase) inhibitor [Term] -id: CHEBI:3523 -name: cellodextrin -is_a: CHEBI:23652 ! dextrins -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:76791 +name: EC 3.1.27.* (endoribonucleases producing other than 5'-phosphomonoesters) inhibitor +is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] -id: CHEBI:35230 -name: fossil fuel -is_a: CHEBI:33292 ! fuel +id: CHEBI:76796 +name: EC 3.4.22.* (cysteine endopeptidase) inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] -id: CHEBI:35233 -name: tungsten coordination entity -is_a: CHEBI:33742 ! tungsten molecular entity -is_a: CHEBI:33861 ! transition element coordination entity +id: CHEBI:76797 +name: EC 2.5.1.18 (glutathione transferase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] -id: CHEBI:35235 -name: L-cysteine zwitterion -is_a: CHEBI:35237 ! cysteine zwitterion +id: CHEBI:76800 +name: pikromycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35236 -name: D-cysteine zwitterion -is_a: CHEBI:35237 ! cysteine zwitterion +id: CHEBI:76801 +name: narbomycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35237 -name: cysteine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:76802 +name: 5-O-beta-D-mycaminosyltylactone(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35238 -name: amino acid zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:76803 +name: 5-O-beta-D-mycaminosyl-20-oxotylonolide(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35239 -name: ADP-sugar -is_a: CHEBI:64711 ! purine nucleotide-sugar +id: CHEBI:76804 +name: 5-O-mycaminosyltylonolide(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35241 -name: nucleotide-carbohydrate -is_a: CHEBI:47784 ! nucleotide conjugate -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:76807 +name: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor +is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] -id: CHEBI:35243 -name: serine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:76808 +name: EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor +is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] -id: CHEBI:35244 -name: nucleotide-oligosaccharide -is_a: CHEBI:35241 ! nucleotide-carbohydrate +id: CHEBI:76809 +name: EC 3.5.4.* (non-peptide cyclic amidine C-N hydrolase) inhibitor +is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] -id: CHEBI:35245 -name: GDP-galactose -is_a: CHEBI:21167 ! GDP-hexose +id: CHEBI:76810 +name: demethyllactenocin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35247 -name: D-serine zwitterion -is_a: CHEBI:35243 ! serine zwitterion +id: CHEBI:76811 +name: EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor +is_a: CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor [Term] -id: CHEBI:35251 -name: dTDP-mannose -is_a: CHEBI:23557 ! dTDP-sugar +id: CHEBI:76812 +name: EC 2.7.11.* (protein-serine/threonine kinase) inhibitor +is_a: CHEBI:37699 ! protein kinase inhibitor +is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] -id: CHEBI:35258 -name: glyco-amino acid -is_a: CHEBI:33709 ! amino acid -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:76814 +name: dTDP-beta-L-mycarose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion + +[Term] +id: CHEBI:76815 +name: EC 2.7.7.* (nucleotidyltransferase) inhibitor +is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] -id: CHEBI:35259 -name: benzofurans -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:76816 +name: EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor +is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] -id: CHEBI:35262 -name: UDP-amino sugar -is_a: CHEBI:17297 ! UDP-sugar -is_a: CHEBI:28963 ! amino sugar +id: CHEBI:76817 +name: EC 2.7.10.* (protein-tyrosine kinase) inhibitor +is_a: CHEBI:37699 ! protein kinase inhibitor +is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] -id: CHEBI:35266 -name: L-2-succinylamino-6-oxoheptanedioic acid -is_a: CHEBI:27093 ! tricarboxylic acid +id: CHEBI:76819 +name: demethylmacrocin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35267 -name: quaternary ammonium ion +id: CHEBI:76820 +name: macrocin(1+) is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35274 -name: ammonium ion -is_a: CHEBI:33702 ! polyatomic cation -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:76821 +name: beta-D-Manp-(1->4)-D-GlcpNAc +is_a: CHEBI:22480 ! amino disaccharide +is_a: CHEBI:22485 ! glucosamine oligosaccharide [Term] -id: CHEBI:35275 -name: S-glycosyl compound -is_a: CHEBI:59793 ! monothioacetal -is_a: CHEBI:63161 ! glycosyl compound -is_a: CHEBI:63299 ! carbohydrate derivative -is_a: CHEBI:73754 ! thiosugar +id: CHEBI:76823 +name: EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor +is_a: CHEBI:75600 ! EC 6.3.* (C-N bond-forming ligase) inhibitor [Term] -id: CHEBI:35276 -name: ammonium compound -is_a: CHEBI:51143 ! nitrogen molecular entity -relationship: has_part CHEBI:35274 ! ammonium ion +id: CHEBI:76824 +name: EC 6.4.1.* (carboxylase) inhibitor +is_a: CHEBI:75604 ! EC 6.4.* (C-C bond-forming ligase) inhibitor [Term] -id: CHEBI:3528 -name: cellotriose -is_a: CHEBI:27150 ! trisaccharide -relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +id: CHEBI:76825 +name: cellobionate +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:35280 -name: L-proline betaine -is_a: CHEBI:21752 ! N-methyl-L-alpha-amino acid -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:22860 ! amino-acid betaine -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78295 ! food component -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:76829 +name: EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor +is_a: CHEBI:76695 ! EC 5.4.* (intramolecular transferase) inhibitor [Term] -id: CHEBI:35281 -name: onium betaine -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:76830 +name: EC 5.99.1.* (miscellaneous isomerase) inhibitor +is_a: CHEBI:76697 ! EC 5.99.* (other isomerases) inhibitor [Term] -id: CHEBI:35282 -name: sulfonium betaine -is_a: CHEBI:26830 ! sulfonium compound -is_a: CHEBI:35281 ! onium betaine +id: CHEBI:76831 +name: EC 4.4.1.* (C-S lyase) inhibitor +is_a: CHEBI:76714 ! EC 4.4.* (C-S lyase) inhibitor [Term] -id: CHEBI:35284 -name: ammonium betaine -is_a: CHEBI:26469 ! quaternary nitrogen compound -is_a: CHEBI:35281 ! onium betaine +id: CHEBI:76832 +name: EC 4.3.1.* (ammonia-lyase) inhibitor +is_a: CHEBI:76713 ! EC 4.3.* (C-N lyase) inhibitor [Term] -id: CHEBI:35285 -name: iminium betaine -is_a: CHEBI:26469 ! quaternary nitrogen compound -is_a: CHEBI:35281 ! onium betaine +id: CHEBI:76834 +name: EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor +is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] -id: CHEBI:35286 -name: iminium ion -is_a: CHEBI:25697 ! organic cation +id: CHEBI:76835 +name: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +is_a: CHEBI:76726 ! EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor [Term] -id: CHEBI:35287 -name: acylcholine -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:76836 +name: EC 1.1.3.* (oxidoreductase acting on donor CH-OH group, oxygen as acceptor) inhibitor +is_a: CHEBI:76726 ! EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor [Term] -id: CHEBI:35291 -name: all-trans-retinoate -is_a: CHEBI:15036 ! retinoate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76837 +name: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor +is_a: CHEBI:76740 ! EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor [Term] -id: CHEBI:35293 -name: fused compound -is_a: CHEBI:33635 ! polycyclic compound +id: CHEBI:76838 +name: EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor +is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] -id: CHEBI:35294 -name: carbopolycyclic compound -is_a: CHEBI:33598 ! carbocyclic compound -is_a: CHEBI:35295 ! homopolycyclic compound +id: CHEBI:76839 +name: dTDP-beta-L-vancosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:35295 -name: homopolycyclic compound -is_a: CHEBI:33597 ! homocyclic compound -is_a: CHEBI:33635 ! polycyclic compound +id: CHEBI:76840 +name: EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] -id: CHEBI:35296 -name: ortho-fused polycyclic arene -is_a: CHEBI:33848 ! polycyclic arene -is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon +id: CHEBI:76841 +name: EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor +is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] -id: CHEBI:35297 -name: acene -is_a: CHEBI:35296 ! ortho-fused polycyclic arene -is_a: CHEBI:51269 ! acenes +id: CHEBI:76842 +name: vancomycin(1+) +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:35300 -name: ortho- and peri-fused polycyclic arene -is_a: CHEBI:33639 ! ortho- and peri-fused compound -is_a: CHEBI:33848 ! polycyclic arene +id: CHEBI:76844 +name: 7-deoxyloganate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:35307 -name: epoxycarotenol -is_a: CHEBI:23043 ! epoxycarotenoid -is_a: CHEBI:23045 ! carotenol +id: CHEBI:76845 +name: EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor +is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] -id: CHEBI:35310 -name: carotenone -is_a: CHEBI:27325 ! xanthophyll +id: CHEBI:76846 +name: 7-deoxyloganetate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:35312 -name: pentoside -is_a: CHEBI:24400 ! glycoside +id: CHEBI:76847 +name: EC 1.14.16.* (oxidoreductase acting on paired donors, reduced pteridine as one donor, incorporating 1 atom of oxygen) inhibitor +is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] -id: CHEBI:35313 -name: hexoside -is_a: CHEBI:24400 ! glycoside +id: CHEBI:76848 +name: EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor +is_a: CHEBI:76744 ! EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor [Term] -id: CHEBI:35314 -name: glycosiduronic acid -is_a: CHEBI:24400 ! glycoside +id: CHEBI:76849 +name: 7-deoxyloganetin +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38131 ! lactol +is_a: CHEBI:38606 ! cyclopentapyran +is_a: CHEBI:50563 ! iridoid monoterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35315 -name: deoxy hexoside -is_a: CHEBI:24400 ! glycoside +id: CHEBI:76851 +name: isoxazolin-5-one +is_a: CHEBI:55373 ! isoxazoles [Term] -id: CHEBI:35329 -name: carotenoid ether -is_a: CHEBI:25698 ! ether -is_a: CHEBI:27325 ! xanthophyll +id: CHEBI:76852 +name: EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor +is_a: CHEBI:76727 ! EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor [Term] -id: CHEBI:35330 -name: spheroidene -is_a: CHEBI:35329 ! carotenoid ether +id: CHEBI:76853 +name: EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor +is_a: CHEBI:76727 ! EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor [Term] -id: CHEBI:35337 -name: central nervous system stimulant -is_a: CHEBI:35470 ! central nervous system drug +id: CHEBI:76855 +name: 3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:35338 -name: amphetamines -is_a: CHEBI:32952 ! amine -relationship: has_role CHEBI:35337 ! central nervous system stimulant +id: CHEBI:76856 +name: 3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:35340 -name: methamphetamine hydrochloride -is_a: CHEBI:36807 ! hydrochloride -relationship: has_part CHEBI:132297 ! methamphetamine(1+) +id: CHEBI:76857 +name: EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor +is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor [Term] -id: CHEBI:35341 -name: steroid -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:76861 +name: EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor +is_a: CHEBI:76730 ! EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor [Term] -id: CHEBI:35342 -name: 17alpha-hydroxy steroid -is_a: CHEBI:36838 ! 17-hydroxy steroid +id: CHEBI:76863 +name: EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor +is_a: CHEBI:76731 ! EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor [Term] -id: CHEBI:35343 -name: 17beta-hydroxy steroid -is_a: CHEBI:36838 ! 17-hydroxy steroid +id: CHEBI:76864 +name: (2S,3S)-beta-methylphenylalanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:35344 -name: 21-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:76866 +name: EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor +is_a: CHEBI:76733 ! EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor [Term] -id: CHEBI:35346 -name: 11beta-hydroxy steroid -is_a: CHEBI:36841 ! 11-hydroxy steroid +id: CHEBI:76869 +name: EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor +is_a: CHEBI:76735 ! EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor [Term] -id: CHEBI:35348 -name: 3beta-sterol -is_a: CHEBI:15889 ! sterol -is_a: CHEBI:36836 ! 3beta-hydroxy steroid +id: CHEBI:76870 +name: EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor +is_a: CHEBI:76736 ! EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor [Term] -id: CHEBI:35350 -name: hydroxy steroid -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:35341 ! steroid +id: CHEBI:76871 +name: EC 2.1.1.* (methyltransferases) inhibitor +is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor [Term] -id: CHEBI:35352 -name: organonitrogen compound -is_a: CHEBI:33285 ! heteroorganic entity -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:76872 +name: 2-iminobutanoic acid +is_a: CHEBI:23591 ! dehydroamino acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33272 ! ketimine [Term] -id: CHEBI:35356 -name: dicarboximide -is_a: CHEBI:24782 ! imide +id: CHEBI:76874 +name: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor +is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor [Term] -id: CHEBI:35358 -name: sulfonamide -is_a: CHEBI:33256 ! primary amide -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:33552 ! sulfonic acid derivative +id: CHEBI:76876 +name: EC 2.2.1.* (transketolase/transaldolase) inhibitor +is_a: CHEBI:76660 ! EC 2.2.* (aldehyde or ketone transferase) inhibitor [Term] -id: CHEBI:35359 -name: carboxamidine -is_a: CHEBI:2634 ! amidine -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:76878 +name: EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor +is_a: CHEBI:76661 ! EC 2.3.* (acyltransferase) inhibitor [Term] -id: CHEBI:35366 -name: fatty acid -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:76879 +name: EC 2.6.1.* (transaminase) inhibitor +is_a: CHEBI:76665 ! EC 2.6.* (nitrogenous group transferase) inhibitor [Term] -id: CHEBI:35368 -name: hexasaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:76881 +name: EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor +is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] -id: CHEBI:35369 -name: pentasaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:76882 +name: EC 2.4.99.* (glycosyltransferases transferring other glycosyl groups) inhibitor +is_a: CHEBI:76662 ! EC 2.4.* (glycosyltransferase) inhibitor [Term] -id: CHEBI:35371 -name: lipooligosaccharide -is_a: CHEBI:63563 ! oligosaccharide derivative +id: CHEBI:76883 +name: EC 3.11.1.* (hydrolases acting on C-P bonds of phosphono-acetaldehyde, -acetate, or -pyruvate) inhibitor +is_a: CHEBI:76770 ! EC 3.11.* (hydrolases acting on C-P bonds) inhibitor [Term] -id: CHEBI:35381 -name: monosaccharide -is_a: CHEBI:16646 ! carbohydrate +id: CHEBI:76885 +name: EC 3.4.23.* (aspartic endopeptidase) inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] -id: CHEBI:35389 -name: altrarate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -is_a: CHEBI:48916 ! altraric acid anion +id: CHEBI:76889 +name: (9Z,12Z)-hexadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:35390 -name: galactarate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -is_a: CHEBI:48871 ! galactaric acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76891 +name: EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor +is_a: CHEBI:76787 ! EC 3.4.11.* (aminopeptidase) inhibitor [Term] -id: CHEBI:35391 -name: aspartate(1-) -is_a: CHEBI:132943 ! aspartate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:76892 +name: A47934(2-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:35392 -name: glucarate(1-) -is_a: CHEBI:48914 ! glucaric acid anion +id: CHEBI:76893 +name: EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor +is_a: CHEBI:76788 ! EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor [Term] -id: CHEBI:35397 -name: tartrate(1-) -is_a: CHEBI:48929 ! 3-carboxy-2,3-dihydroxypropanoate +id: CHEBI:76894 +name: A41030A(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:35401 -name: chromium oxoacid -is_a: CHEBI:35403 ! chromium coordination entity -is_a: CHEBI:36265 ! transition element oxoacid +id: CHEBI:76895 +name: EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor +is_a: CHEBI:73216 ! EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor [Term] -id: CHEBI:35402 -name: chromium oxoanion -is_a: CHEBI:35403 ! chromium coordination entity -is_a: CHEBI:35405 ! transition element oxoanion +id: CHEBI:76896 +name: (11Z)-3-oxooctadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:35403 -name: chromium coordination entity -is_a: CHEBI:23237 ! chromium molecular entity -is_a: CHEBI:33861 ! transition element coordination entity +id: CHEBI:76898 +name: EC 1.14.14.1 (unspecific monooxygenase) inhibitor +is_a: CHEBI:76838 ! EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor [Term] -id: CHEBI:35404 -name: chromate(2-) -is_a: CHEBI:35402 ! chromium oxoanion -is_a: CHEBI:79388 ! divalent inorganic anion -relationship: has_role CHEBI:63248 ! oxidising agent +id: CHEBI:769 +name: 16-methoxytabersonine +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38164 ! organic heteropentacyclic compound +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:65323 ! monoterpenoid indole alkaloid [Term] -id: CHEBI:35405 -name: transition element oxoanion -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:33861 ! transition element coordination entity -is_a: CHEBI:35406 ! oxoanion +id: CHEBI:76900 +name: (3R,11Z)-3-hydroxyoctadecenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:35406 -name: oxoanion -is_a: CHEBI:25741 ! oxide -is_a: CHEBI:33273 ! polyatomic anion +id: CHEBI:76902 +name: EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor +is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] -id: CHEBI:35410 -name: primary diamine -is_a: CHEBI:23666 ! diamine +id: CHEBI:76904 +name: (2E,11Z)-octadecadienoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA [Term] -id: CHEBI:35411 -name: alkane-alpha,omega-diamine -is_a: CHEBI:35410 ! primary diamine -is_a: CHEBI:46687 ! diazaalkane +id: CHEBI:76905 +name: (13Z)-3-oxoicosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:35415 -name: alpha-amino-acid residue cation -is_a: CHEBI:64769 ! organic cationic group +id: CHEBI:76906 +name: EC 4.1.1.* (carboxy-lyase) inhibitor +is_a: CHEBI:76711 ! EC 4.1.* (C-C lyase) inhibitor [Term] -id: CHEBI:35418 -name: N-acetylneuraminate -is_a: CHEBI:21619 ! N-acetylneuraminates -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76907 +name: EC 4.2.1.* (hydro-lyases) inhibitor +is_a: CHEBI:76712 ! EC 4.2.* (C-O lyase) inhibitor [Term] -id: CHEBI:35426 -name: ortho-fused bicyclic arene -is_a: CHEBI:35296 ! ortho-fused polycyclic arene -is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon +id: CHEBI:76908 +name: (3R,13Z)-3-hydroxyicosenoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:35427 -name: ortho-fused polycyclic hydrocarbon -is_a: CHEBI:33637 ! ortho-fused compound +id: CHEBI:76909 +name: (2E,13Z)-icosadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:35428 -name: ortho-fused bicyclic hydrocarbon -is_a: CHEBI:33637 ! ortho-fused compound -is_a: CHEBI:36785 ! carbobicyclic compound +id: CHEBI:76910 +name: (13Z)-icosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:3543 -name: cephamycin C -is_a: CHEBI:55429 ! cephamycin +id: CHEBI:76913 +name: L-cysteinate group +is_a: CHEBI:90782 ! C-terminal proteinogenic amino-acid residue(1-) [Term] -id: CHEBI:35436 -name: D-glucoside -is_a: CHEBI:24278 ! glucoside +id: CHEBI:76915 +name: N,N-dimethyl-L-alaniniumyl group +is_a: CHEBI:64769 ! organic cationic group [Term] -id: CHEBI:35441 -name: antiinfective agent -is_a: CHEBI:23888 ! drug +id: CHEBI:76921 +name: pavine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35442 -name: antiparasitic agent -is_a: CHEBI:35441 ! antiinfective agent +id: CHEBI:76922 +name: argemonine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35443 -name: anthelminthic drug -is_a: CHEBI:35442 ! antiparasitic agent +id: CHEBI:76924 +name: plant metabolite +is_a: CHEBI:75763 ! eukaryotic metabolite [Term] -id: CHEBI:35444 -name: antinematodal drug -is_a: CHEBI:25491 ! nematicide -is_a: CHEBI:35443 ! anthelminthic drug +id: CHEBI:76928 +name: 2,3-saturated fatty acid(1-) +is_a: CHEBI:28868 ! fatty acid anion +is_a: CHEBI:83955 ! 2-saturated fatty acid anion [Term] -id: CHEBI:35446 -name: chlorobiphenyl -is_a: CHEBI:22888 ! biphenyls -is_a: CHEBI:36686 ! chloroarene +id: CHEBI:76929 +name: 2,3-saturated fatty acid +is_a: CHEBI:35366 ! fatty acid [Term] -id: CHEBI:35457 -name: EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor -is_a: CHEBI:35674 ! antihypertensive agent -is_a: CHEBI:76782 ! EC 3.4.15.* (peptidyl-dipeptidase) inhibitor +id: CHEBI:76930 +name: omega-hydroxytetracosanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:35467 -name: phosphorodiamide -is_a: CHEBI:17102 ! phosphoramide +id: CHEBI:76931 +name: Ac-Asp-Glu(3-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:35468 -name: triazene -is_a: CHEBI:35106 ! nitrogen hydride +id: CHEBI:76932 +name: pathway inhibitor +is_a: CHEBI:23924 ! enzyme inhibitor [Term] -id: CHEBI:35469 -name: antidepressant -is_a: CHEBI:35471 ! psychotropic drug +id: CHEBI:76933 +name: 3,18-dihydroxyoctadecanoic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid [Term] -id: CHEBI:35470 -name: central nervous system drug -is_a: CHEBI:23888 ! drug +id: CHEBI:76934 +name: 3,12-dihydroxylauric acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid [Term] -id: CHEBI:35471 -name: psychotropic drug -is_a: CHEBI:35470 ! central nervous system drug +id: CHEBI:76935 +name: Ac-Asp-Glu-Glu(4-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:35472 -name: anti-inflammatory drug -is_a: CHEBI:23888 ! drug -is_a: CHEBI:67079 ! anti-inflammatory agent +id: CHEBI:76937 +name: 11-hydroxylauric acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:78954 ! (omega-1)-hydroxy fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35473 -name: tranquilizing drug -is_a: CHEBI:35471 ! psychotropic drug -is_a: CHEBI:35488 ! central nervous system depressant +id: CHEBI:76938 +name: EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor +is_a: CHEBI:73216 ! EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor [Term] -id: CHEBI:35474 -name: anxiolytic drug -is_a: CHEBI:35473 ! tranquilizing drug +id: CHEBI:76939 +name: EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor +is_a: CHEBI:76938 ! EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor [Term] -id: CHEBI:35475 -name: non-steroidal anti-inflammatory drug -is_a: CHEBI:35472 ! anti-inflammatory drug -is_a: CHEBI:35842 ! antirheumatic drug +id: CHEBI:76941 +name: sphingoid 1-phosphate(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:35476 -name: antipsychotic agent -is_a: CHEBI:35473 ! tranquilizing drug +id: CHEBI:76942 +name: beta-citrylglutamate(4-) +is_a: CHEBI:35754 ! tetracarboxylic acid anion +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion + +[Term] +id: CHEBI:76943 +name: (+)-copalol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:76944 +name: 13-epi-manool +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:76945 +name: manool +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35479 -name: alkali metal salt -is_a: CHEBI:24866 ! salt -is_a: CHEBI:33296 ! alkali metal molecular entity +id: CHEBI:76946 +name: fungal metabolite +is_a: CHEBI:75763 ! eukaryotic metabolite [Term] -id: CHEBI:35480 -name: analgesic -is_a: CHEBI:23888 ! drug -is_a: CHEBI:52210 ! pharmacological role +id: CHEBI:76948 +name: ent-manool +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35481 -name: non-narcotic analgesic -is_a: CHEBI:35480 ! analgesic +id: CHEBI:76950 +name: (-)-ent-copalol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35482 -name: opioid analgesic -is_a: CHEBI:35480 ! analgesic +id: CHEBI:76952 +name: syn-copalol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35484 -name: phthalate ester -is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:62732 ! aromatic ester -relationship: has_role CHEBI:138015 ! endocrine disruptor +id: CHEBI:76953 +name: 17(R),18(S)-EETeTr +is_a: CHEBI:72853 ! 17(18)-EpETE [Term] -id: CHEBI:35486 -name: maleate ester -is_a: CHEBI:51702 ! enoate ester +id: CHEBI:76954 +name: (13S)-vitexifolin A +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35487 -name: EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor -is_a: CHEBI:76852 ! EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor +id: CHEBI:76955 +name: 17(S),18(R)-EETeTr +is_a: CHEBI:72853 ! 17(18)-EpETE [Term] -id: CHEBI:35488 -name: central nervous system depressant -is_a: CHEBI:35470 ! central nervous system drug +id: CHEBI:76956 +name: Aspergillus metabolite +is_a: CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:35489 -name: organic disulfide -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:48343 ! disulfide +id: CHEBI:76959 +name: 19-HEPE +is_a: CHEBI:72799 ! HEPE [Term] -id: CHEBI:35491 -name: L-cystine zwitterion -is_a: CHEBI:35492 ! cystine zwitterion +id: CHEBI:76962 +name: 20-HEPE +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:72799 ! HEPE [Term] -id: CHEBI:35492 -name: cystine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:76964 +name: Penicillium metabolite +is_a: CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:35493 -name: antipyretic -is_a: CHEBI:23888 ! drug +id: CHEBI:76965 +name: 20-oxoarachidonic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:76328 ! omega-oxo fatty acid [Term] -id: CHEBI:35494 -name: D-cystine -is_a: CHEBI:17376 ! cystine +id: CHEBI:76966 +name: (5Z,8Z,11Z,14Z)-icosatetraenedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +is_a: CHEBI:36046 ! icosatetraenedioic acid [Term] -id: CHEBI:35496 -name: fluorobenzenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:37143 ! organofluorine compound +id: CHEBI:76967 +name: human xenobiotic metabolite +is_a: CHEBI:76206 ! xenobiotic metabolite +is_a: CHEBI:77746 ! human metabolite [Term] -id: CHEBI:35498 -name: diuretic -is_a: CHEBI:23888 ! drug +id: CHEBI:76968 +name: fungal xenobiotic metabolite +is_a: CHEBI:76206 ! xenobiotic metabolite +is_a: CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:354984 -name: candicidin -is_a: CHEBI:60004 ! mixture -is_a: CHEBI:87113 ! antibiotic antifungal drug -relationship: has_part CHEBI:3349 ! candicidin D -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:76969 +name: bacterial metabolite +is_a: CHEBI:75787 ! prokaryotic metabolite [Term] -id: CHEBI:35499 -name: hallucinogen -is_a: CHEBI:35471 ! psychotropic drug +id: CHEBI:76971 +name: Escherichia coli metabolite +is_a: CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:35500 -name: 1,4-benzodiazepinone -is_a: CHEBI:22720 ! benzodiazepine +id: CHEBI:76976 +name: bacterial xenobiotic metabolite +is_a: CHEBI:76206 ! xenobiotic metabolite +is_a: CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:35504 -name: addition compound -is_a: CHEBI:37577 ! heteroatomic molecular entity +id: CHEBI:76978 +name: trioctanoin +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:87657 ! octanoate ester +relationship: has_role CHEBI:35623 ! anticonvulsant +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35505 -name: hydrate -is_a: CHEBI:35504 ! addition compound -relationship: has_part CHEBI:15377 ! water +id: CHEBI:76979 +name: 1,2-dioctanoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:88066 ! dioctanoin [Term] -id: CHEBI:35506 -name: alkaloid fundamental parent -is_a: CHEBI:35507 ! natural product fundamental parent +id: CHEBI:76980 +name: 2-hydroxybehenic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35507 -name: natural product fundamental parent -is_a: CHEBI:33245 ! organic fundamental parent +id: CHEBI:76981 +name: 3-[(1-carboxylatovinyl)oxy]benzoate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:35508 -name: steroid fundamental parent -is_a: CHEBI:35341 ! steroid -is_a: CHEBI:35507 ! natural product fundamental parent +id: CHEBI:76982 +name: sn-2,3-dicaprilin +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:88066 ! dioctanoin [Term] -id: CHEBI:35509 -name: androstane -is_a: CHEBI:35508 ! steroid fundamental parent +id: CHEBI:76986 +name: 2-hydroxycerotic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid [Term] -id: CHEBI:35512 -name: ergostane -is_a: CHEBI:35508 ! steroid fundamental parent +id: CHEBI:76988 +name: xenoestrogen +is_a: CHEBI:138015 ! endocrine disruptor +is_a: CHEBI:50114 ! estrogen [Term] -id: CHEBI:35515 -name: 5alpha-cholestane -is_a: CHEBI:35516 ! cholestane +id: CHEBI:76989 +name: phytoestrogen +is_a: CHEBI:50114 ! estrogen [Term] -id: CHEBI:35516 -name: cholestane -is_a: CHEBI:35508 ! steroid fundamental parent +id: CHEBI:76992 +name: 2-hydroxyarachidic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid [Term] -id: CHEBI:35517 -name: 5beta-cholestane -is_a: CHEBI:35516 ! cholestane +id: CHEBI:77000 +name: 1-oleoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:35519 -name: cholane -is_a: CHEBI:35508 ! steroid fundamental parent +id: CHEBI:77001 +name: 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:64716 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) [Term] -id: CHEBI:35522 -name: beta-adrenergic agonist -is_a: CHEBI:37886 ! adrenergic agonist -is_a: CHEBI:48540 ! beta-adrenergic drug +id: CHEBI:77002 +name: methoxyisoflavan +is_a: CHEBI:25698 ! ether +is_a: CHEBI:72572 ! isoflavans [Term] -id: CHEBI:35523 -name: bronchodilator agent -is_a: CHEBI:23888 ! drug +id: CHEBI:77009 +name: 5-O-beta-D-mycaminosyl-20-oxotylonolide +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative [Term] -id: CHEBI:35524 -name: sympathomimetic agent -is_a: CHEBI:37962 ! adrenergic agent +id: CHEBI:77011 +name: 5-O-mycaminosyltylonolide +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative [Term] -id: CHEBI:35526 -name: hypoglycemic agent -is_a: CHEBI:23888 ! drug +id: CHEBI:77015 +name: (4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:35530 -name: beta-adrenergic antagonist -is_a: CHEBI:37887 ! adrenergic antagonist -is_a: CHEBI:48540 ! beta-adrenergic drug +id: CHEBI:77016 +name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate +is_a: CHEBI:78060 ! docosahexaenoate +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:35544 -name: EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor -is_a: CHEBI:76840 ! EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +id: CHEBI:77019 +name: EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor +is_a: CHEBI:76737 ! EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor [Term] -id: CHEBI:35545 -name: bipyridine -is_a: CHEBI:50511 ! bipyridines +id: CHEBI:77020 +name: EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor +is_a: CHEBI:77019 ! EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor [Term] -id: CHEBI:35550 -name: 1H-1,2,4-triazole -is_a: CHEBI:35560 ! 1,2,4-triazole +id: CHEBI:77021 +name: cellobionic acid +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:36233 ! disaccharide +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35552 -name: heterocyclic organic fundamental parent -is_a: CHEBI:33245 ! organic fundamental parent +id: CHEBI:77024 +name: EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor +is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] -id: CHEBI:35554 -name: cardiovascular drug -is_a: CHEBI:23888 ! drug +id: CHEBI:77027 +name: 7-deoxyloganetic acid +is_a: CHEBI:38606 ! cyclopentapyran +is_a: CHEBI:50563 ! iridoid monoterpenoid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35555 -name: mancude organic heteromonocyclic parent -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:35571 ! mancude organic heterocyclic parent +id: CHEBI:77029 +name: 3-(5-oxoisoxazolin-2-yl)-L-alanine +is_a: CHEBI:55373 ! isoxazoles +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35559 -name: furan -is_a: CHEBI:24129 ! furans -is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent -is_a: CHEBI:38179 ! monocyclic heteroarene -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50908 ! hepatotoxic agent -relationship: has_role CHEBI:77523 ! Maillard reaction product +id: CHEBI:77030 +name: 3-(5-oxoisoxazolin-4-yl)-L-alanine +is_a: CHEBI:55373 ! isoxazoles +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35560 -name: 1,2,4-triazole -is_a: CHEBI:38597 ! triazole +id: CHEBI:77031 +name: (2S,3S)-beta-methylphenylalanine +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid [Term] -id: CHEBI:35561 -name: 3H-1,2,4-triazole -is_a: CHEBI:35560 ! 1,2,4-triazole +id: CHEBI:77033 +name: 14-hydroxymyristate +is_a: CHEBI:140992 ! omega-hydroxy-long-chain fatty acid anion [Term] -id: CHEBI:35568 -name: mancude ring -is_a: CHEBI:23367 ! molecular entity +id: CHEBI:77034 +name: mucolytic +is_a: CHEBI:23888 ! drug [Term] -id: CHEBI:35570 -name: mancude organic heterobicyclic parent -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:35571 ! mancude organic heterocyclic parent +id: CHEBI:77035 +name: expectorant +is_a: CHEBI:23888 ! drug [Term] -id: CHEBI:35571 -name: mancude organic heterocyclic parent -is_a: CHEBI:35552 ! heterocyclic organic fundamental parent -is_a: CHEBI:35573 ! organic mancude parent +id: CHEBI:77036 +name: A41030A +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:25903 ! peptide antibiotic +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:37407 ! cyclic ether +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:35573 -name: organic mancude parent -is_a: CHEBI:33245 ! organic fundamental parent -is_a: CHEBI:35568 ! mancude ring +id: CHEBI:77037 +name: N,N-dimethyl-L-alanyl group +is_a: CHEBI:22487 ! alpha-aminoacyl group [Term] -id: CHEBI:35580 -name: N-oxide -is_a: CHEBI:25741 ! oxide +id: CHEBI:77038 +name: (3S)-hydroxytetradecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35581 -name: indole -is_a: CHEBI:24828 ! indoles -is_a: CHEBI:35570 ! mancude organic heterobicyclic parent -is_a: CHEBI:52362 ! ortho-fused heteroarene -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77039 +name: (2E)-tetradecenedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35584 -name: purine -is_a: CHEBI:26401 ! purines -is_a: CHEBI:35570 ! mancude organic heterobicyclic parent -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:77041 +name: 3-oxotetradecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35586 -name: 1H-purine -is_a: CHEBI:35584 ! purine +id: CHEBI:77042 +name: N,N-dimethyl-L-alanine +is_a: CHEBI:25264 ! methyl-L-alanine [Term] -id: CHEBI:35588 -name: 3H-purine -is_a: CHEBI:35584 ! purine +id: CHEBI:77046 +name: isopimarane +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:35662 ! terpenoid fundamental parent +is_a: CHEBI:38032 ! carbotricyclic compound [Term] -id: CHEBI:35589 -name: 9H-purine -is_a: CHEBI:35584 ! purine +id: CHEBI:77047 +name: tylosin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35592 -name: 2H-pyran -is_a: CHEBI:35594 ! pyran +id: CHEBI:77048 +name: pavine +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:77049 ! (R,R)-pavine +relationship: has_part CHEBI:77050 ! (S,S)-pavine +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35593 -name: 4H-pyran -is_a: CHEBI:35594 ! pyran +id: CHEBI:77049 +name: (R,R)-pavine +is_a: CHEBI:77051 ! 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene [Term] -id: CHEBI:35594 -name: pyran -is_a: CHEBI:26407 ! pyrans -is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent +id: CHEBI:77050 +name: (S,S)-pavine +is_a: CHEBI:77051 ! 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene [Term] -id: CHEBI:35601 -name: 2H-chromene -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:35602 ! chromene +id: CHEBI:77051 +name: 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:50995 ! secondary amino compound [Term] -id: CHEBI:35602 -name: chromene -is_a: CHEBI:23232 ! chromenes -is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +id: CHEBI:77055 +name: argemonine +is_a: CHEBI:60911 ! racemate +relationship: has_part CHEBI:77059 ! (+)-argemonine +relationship: has_part CHEBI:80 ! (-)-argemonine [Term] -id: CHEBI:35603 -name: 4H-chromene -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:35602 ! chromene +id: CHEBI:77059 +name: (+)-argemonine +is_a: CHEBI:77060 ! 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene [Term] -id: CHEBI:35604 -name: carbon oxoanion -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:35406 ! oxoanion -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:77060 +name: 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene +is_a: CHEBI:24921 ! isoquinoline alkaloid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:50996 ! tertiary amino compound [Term] -id: CHEBI:35605 -name: carbon oxoacid -is_a: CHEBI:24833 ! oxoacid -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:77061 +name: 4,8-dimethylnonanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:35608 -name: EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor -is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor +id: CHEBI:77063 +name: 4,8-dimethylnonanoate +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion [Term] -id: CHEBI:35610 -name: antineoplastic agent -is_a: CHEBI:23888 ! drug +id: CHEBI:77064 +name: Ac-Asp-Glu-Glu +is_a: CHEBI:47923 ! tripeptide [Term] -id: CHEBI:35615 -name: tropane -is_a: CHEBI:35506 ! alkaloid fundamental parent -is_a: CHEBI:37332 ! tropane alkaloid -is_a: CHEBI:38295 ! azabicycloalkane -is_a: CHEBI:38419 ! saturated organic heterobicyclic parent +id: CHEBI:77068 +name: sphingoid 1-phosphate +is_a: CHEBI:35786 ! phosphosphingolipid [Term] -id: CHEBI:35617 -name: flavouring agent -is_a: CHEBI:64047 ! food additive +id: CHEBI:77073 +name: rhodomycin D(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35618 -name: aromatic ether -is_a: CHEBI:25698 ! ether -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:77074 +name: 4-O-methylrhodomycin D(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:35620 -name: vasodilator agent -is_a: CHEBI:35554 ! cardiovascular drug +id: CHEBI:77075 +name: (2E)-hexadecenedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35622 -name: thiazolidines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:77076 +name: 10-carboxy-13-deoxydaunorubicin zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:35623 -name: anticonvulsant -is_a: CHEBI:35488 ! central nervous system depressant +id: CHEBI:77077 +name: 10-carboxy-13-deoxycarminomycin zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:35624 -name: azaspiro compound -is_a: CHEBI:33599 ! spiro compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:77079 +name: (3R)-hydroxyhexadecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35625 -name: EC 3.5.2.6 (beta-lactamase) inhibitor -is_a: CHEBI:76808 ! EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor +id: CHEBI:77080 +name: (3S)-hydroxyhexadecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35627 -name: beta-lactam -is_a: CHEBI:24995 ! lactam +id: CHEBI:77081 +name: 3-oxohexadecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35640 -name: adrenergic uptake inhibitor -is_a: CHEBI:37962 ! adrenergic agent +id: CHEBI:77084 +name: tetradecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35649 -name: morphinan -is_a: CHEBI:25418 ! morphinane alkaloid -is_a: CHEBI:38515 ! isoquinoline alkaloid fundamental parent +id: CHEBI:77085 +name: hexadecanedioyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:35662 -name: terpenoid fundamental parent -is_a: CHEBI:35507 ! natural product fundamental parent +id: CHEBI:77086 +name: O-lauroyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:73054 ! O-dodecanoylcarnitine +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:35664 -name: EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:77087 +name: O-hexadecanedioyl-L-carnitine(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion [Term] -id: CHEBI:35673 -name: abietane -is_a: CHEBI:35190 ! diterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77089 +name: EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] -id: CHEBI:35674 -name: antihypertensive agent -is_a: CHEBI:35554 ! cardiovascular drug +id: CHEBI:77090 +name: EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor +is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] -id: CHEBI:35676 -name: benzazepine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:77091 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74922 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:35679 -name: antilipemic drug -is_a: CHEBI:23888 ! drug +id: CHEBI:77092 +name: fenbendazole +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:23003 ! carbamate ester +is_a: CHEBI:35683 ! aryl sulfide +relationship: has_role CHEBI:35444 ! antinematodal drug [Term] -id: CHEBI:35681 -name: secondary alcohol -is_a: CHEBI:30879 ! alcohol +id: CHEBI:77093 +name: 1-arachidoyl-2-arachidonoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:35683 -name: aryl sulfide -is_a: CHEBI:16385 ! organic sulfide +id: CHEBI:77094 +name: 1-arachidoyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74922 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:35684 -name: antiplatyhelmintic drug -is_a: CHEBI:35443 ! anthelminthic drug +id: CHEBI:77096 +name: 1-palmitoyl-2-arachidonoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:35688 -name: benzimidazolecarboxylic acid -is_a: CHEBI:22715 ! benzimidazoles -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:77097 +name: 1-stearoyl-2-linoleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:85701 ! diacylglycerol 36:2 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:35689 -name: tetrazoles -is_a: CHEBI:68452 ! azole +id: CHEBI:77098 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74920 ! 1-acyl-2-linoleoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:35690 -name: cyclobutane-1,1-dicarboxylate(2-) -is_a: CHEBI:36205 ! cyclobutanedicarboxylate +id: CHEBI:77099 +name: (2S)-pristanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) [Term] -id: CHEBI:35691 -name: cyclobutane-1,1-dicarboxylic acid -is_a: CHEBI:36186 ! cyclobutanedicarboxylic acid +id: CHEBI:77102 +name: EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor +is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor [Term] -id: CHEBI:35692 -name: dicarboxylic acid -is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:77107 +name: 3-[(1-carboxyvinyl)oxy]benzoic acid +is_a: CHEBI:22723 ! benzoic acids +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:47985 ! enol ether [Term] -id: CHEBI:35693 -name: dicarboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:77108 +name: EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] -id: CHEBI:35694 -name: cyclobutane-1,1-dicarboxylate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion +id: CHEBI:77109 +name: EC 1.21.3.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond, with oxygen as acceptor) inhibitor +is_a: CHEBI:76748 ! EC 1.21.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond) inhibitor [Term] -id: CHEBI:35695 -name: dicarboxylic acid monoanion -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:77110 +name: EC 1.21.3.3 (reticuline oxidase) inhibitor +is_a: CHEBI:77109 ! EC 1.21.3.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond, with oxygen as acceptor) inhibitor [Term] -id: CHEBI:35701 -name: ester -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:77111 +name: EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor +is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor [Term] -id: CHEBI:35703 -name: xenobiotic -is_a: CHEBI:24432 ! biological role +id: CHEBI:77113 +name: EC 2.7.11.10 (IkappaB kinase) inhibitor +is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor [Term] -id: CHEBI:35705 -name: immunosuppressive agent -is_a: CHEBI:50846 ! immunomodulator +id: CHEBI:77115 +name: EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor +is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor [Term] -id: CHEBI:35710 -name: pinane -is_a: CHEBI:35187 ! monoterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent -is_a: CHEBI:36785 ! carbobicyclic compound -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77117 +name: EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor +is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] -id: CHEBI:35713 -name: polycyclic alkane -is_a: CHEBI:33666 ! polycyclic hydrocarbon +id: CHEBI:77118 +name: EC 3.5.5.1 (nitrilase) inhhibitor +is_a: CHEBI:77117 ! EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor [Term] -id: CHEBI:35714 -name: polycyclic olefin -is_a: CHEBI:33642 ! cyclic olefin -is_a: CHEBI:33666 ! polycyclic hydrocarbon +id: CHEBI:77119 +name: EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + +[Term] +id: CHEBI:77120 +name: TMP +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate [Term] -id: CHEBI:35715 -name: nitro compound -is_a: CHEBI:51143 ! nitrogen molecular entity -relationship: has_part CHEBI:29785 ! nitro group +id: CHEBI:77121 +name: 1-oleoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:35716 -name: C-nitro compound -is_a: CHEBI:35715 ! nitro compound -is_a: CHEBI:72695 ! organic molecule +id: CHEBI:77122 +name: 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:64961 ! 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:35717 -name: sedative -is_a: CHEBI:35488 ! central nervous system depressant +id: CHEBI:77124 +name: (4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:72790 ! hydroxydocosahexaenoic acid [Term] -id: CHEBI:35718 -name: antifungal agent -is_a: CHEBI:33281 ! antimicrobial agent +id: CHEBI:77125 +name: 1,2-diarachidonoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:35719 -name: sulfamic acids -is_a: CHEBI:33552 ! sulfonic acid derivative +id: CHEBI:77126 +name: 1,2-diarachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74922 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:35721 -name: heparan sulfates -is_a: CHEBI:24500 ! heparan -is_a: CHEBI:35722 ! sulfated glycosaminoglycan +id: CHEBI:77127 +name: 1,2-dilinoleoyl-sn-glycerol +is_a: CHEBI:138658 ! dilinoleoylglycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:35722 -name: sulfated glycosaminoglycan -is_a: CHEBI:18085 ! glycosaminoglycan -is_a: CHEBI:35724 ! carbohydrate sulfate +id: CHEBI:77128 +name: 1,2-dilinoleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:74920 ! 1-acyl-2-linoleoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:35724 -name: carbohydrate sulfate -is_a: CHEBI:25704 ! organic sulfate -is_a: CHEBI:26819 ! sulfuric ester -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:77129 +name: 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +relationship: has_role CHEBI:38807 ! calcium channel agonist +relationship: has_role CHEBI:64018 ! protein kinase C agonist [Term] -id: CHEBI:35725 -name: isopropyl ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:77130 +name: 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:35727 -name: triazoles -is_a: CHEBI:68452 ! azole +id: CHEBI:77131 +name: sinapic acid +is_a: CHEBI:24688 ! monohydroxycinnamic acid +is_a: CHEBI:26004 ! phenylpropanoid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:51681 ! dimethoxybenzene [Term] -id: CHEBI:35735 -name: dicarboxylic acid monoamide -is_a: CHEBI:23690 ! dicarboxylic acid amide +id: CHEBI:77132 +name: 6-sulfoquinovose(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion [Term] -id: CHEBI:35740 -name: liposaccharide -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:77133 +name: 6-deoxy-6-sulfo-D-fructofuranose(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion [Term] -id: CHEBI:35741 -name: glycerolipid -is_a: CHEBI:18059 ! lipid +id: CHEBI:77134 +name: 6-deoxy-6-sulfo-D-fructofuranose 1-phosphate(3-) +is_a: CHEBI:33554 ! organosulfonate oxoanion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:35742 -name: tetracarboxylic acid -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:77135 +name: 3-sulfolactaldehyde(1-) +is_a: CHEBI:134249 ! alkanesulfonate oxoanion [Term] -id: CHEBI:35744 -name: carbocyclic fatty acid -is_a: CHEBI:59238 ! cyclic fatty acid +id: CHEBI:77136 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3-) +is_a: CHEBI:58178 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) [Term] -id: CHEBI:35746 -name: fatty aldehyde -is_a: CHEBI:59768 ! aliphatic aldehyde +id: CHEBI:77137 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate(5-) +is_a: CHEBI:58456 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) [Term] -id: CHEBI:35748 -name: fatty acid ester -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:77138 +name: 3-sulfopropanediol(1-) +is_a: CHEBI:134249 ! alkanesulfonate oxoanion [Term] -id: CHEBI:35753 -name: tricarboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:77139 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3-) +is_a: CHEBI:58178 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) [Term] -id: CHEBI:35754 -name: tetracarboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:77140 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate(5-) +is_a: CHEBI:58456 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) [Term] -id: CHEBI:35757 -name: monocarboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:77141 +name: dTDP-beta-L-evernitrose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:3576 -name: chanoclavine-I -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:23943 ! ergot alkaloid -is_a: CHEBI:38111 ! benzoindole -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:51959 ! organic tricyclic compound +id: CHEBI:77142 +name: dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:35766 -name: glycerophosphoserine -is_a: CHEBI:26649 ! serine derivative -is_a: CHEBI:37739 ! glycerophospholipid +id: CHEBI:77143 +name: dTDP-N-hydroxy-beta-L-evernosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:35774 -name: CDP-glycerols -is_a: CHEBI:26441 ! pyrimidine nucleotide -is_a: CHEBI:37739 ! glycerophospholipid +id: CHEBI:77144 +name: dTDP-beta-L-evernosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:35776 -name: arsenic oxoanion -is_a: CHEBI:22632 ! arsenic molecular entity -is_a: CHEBI:33459 ! pnictogen oxoanion +id: CHEBI:77146 +name: ginsenoside C-K +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50857 ! anti-allergic agent +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35780 -name: phosphate ion -is_a: CHEBI:33461 ! phosphorus oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77148 +name: ginsenoside Re +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76595 ! nephroprotective agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35782 -name: diphosphate ion -is_a: CHEBI:33461 ! phosphorus oxoanion +id: CHEBI:77149 +name: notoginsenoside R1 +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen [Term] -id: CHEBI:35783 -name: bornane -is_a: CHEBI:35187 ! monoterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77150 +name: ginsenoside F1 +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:68494 ! apoptosis inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35785 -name: sphingoid -is_a: CHEBI:26739 ! sphingolipid +id: CHEBI:77152 +name: ginsenoside Rb2 +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35786 -name: phosphosphingolipid -is_a: CHEBI:16247 ! phospholipid -is_a: CHEBI:26739 ! sphingolipid +id: CHEBI:77156 +name: gypenoside LXXV +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35788 -name: seco-steroid -is_a: CHEBI:35341 ! steroid +id: CHEBI:77157 +name: ginsenoside C-Y +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36847 ! 12beta-hydroxy steroid +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:74978 ! ginsenoside +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:35789 -name: oxo steroid -is_a: CHEBI:17087 ! ketone -is_a: CHEBI:35341 ! steroid +id: CHEBI:77158 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:65055 ! 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:91036 ! phosphatidylinositol 36:3(1-) [Term] -id: CHEBI:35790 -name: oxazole -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:68452 ! azole +id: CHEBI:77159 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:35794 -name: tetrapyrrole fundamental parent -is_a: CHEBI:26932 ! tetrapyrrole -is_a: CHEBI:35507 ! natural product fundamental parent +id: CHEBI:77160 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:35795 -name: polyprenylbenzoquinone -is_a: CHEBI:132124 ! 1,4-benzoquinones -is_a: CHEBI:26255 ! prenylquinone +id: CHEBI:77163 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:65055 ! 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) [Term] -id: CHEBI:35804 -name: citrate(1-) -is_a: CHEBI:133748 ! citrate anion -is_a: CHEBI:36299 ! tricarboxylic acid monoanion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:77164 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:35808 -name: citrate(2-) -is_a: CHEBI:133748 ! citrate anion -is_a: CHEBI:36300 ! tricarboxylic acid dianion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:77165 +name: 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:75194 ! phosphatidylinositol 36:4(1-) [Term] -id: CHEBI:35818 -name: coccidiostat -is_a: CHEBI:35820 ! antiprotozoal drug +id: CHEBI:77166 +name: 3-oxo-Delta(1),Delta(4)-steroid +is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid [Term] -id: CHEBI:35819 -name: branched-chain fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:77167 +name: 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:35820 -name: antiprotozoal drug -is_a: CHEBI:35442 ! antiparasitic agent -is_a: CHEBI:36043 ! antimicrobial drug +id: CHEBI:77168 +name: 14-hydroxymyristic acid +is_a: CHEBI:140997 ! omega-hydroxy-long-chain fatty acid [Term] -id: CHEBI:35821 -name: anticholesteremic drug -is_a: CHEBI:35679 ! antilipemic drug +id: CHEBI:77169 +name: (3S)-hydroxytetradecanedioyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA [Term] -id: CHEBI:35825 -name: mandelic acid -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:77170 +name: (2E)-tetradecenedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:35842 -name: antirheumatic drug -is_a: CHEBI:23888 ! drug +id: CHEBI:77172 +name: 3-oxotetradecanedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:35856 -name: lipoxygenase inhibitor -is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor +id: CHEBI:77178 +name: histological dye +is_a: CHEBI:37958 ! dye [Term] -id: CHEBI:35862 -name: bacitracin A -is_a: CHEBI:15841 ! polypeptide -is_a: CHEBI:24613 ! homodetic cyclic peptide -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:33282 ! antibacterial agent +id: CHEBI:77179 +name: 4-O-methylrhodomycin D +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:51285 ! acenoquinone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35868 -name: hydroxy monocarboxylic acid -is_a: CHEBI:24669 ! hydroxy carboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:77182 +name: food colouring +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:35871 -name: oxo monocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:25754 ! oxo carboxylic acid +id: CHEBI:77183 +name: (2E)-hexadecenedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:35875 -name: imidazopyrimidine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:33833 ! heteroarene -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:77184 +name: 1-palmityl-2-arachidonoyl-sn-glycerol +is_a: CHEBI:52595 ! 1-alkyl-2-acyl-sn-glycerol +relationship: has_part CHEBI:25842 ! palmityl group [Term] -id: CHEBI:35881 -name: pnictogen hydride -is_a: CHEBI:33242 ! inorganic hydride -is_a: CHEBI:33302 ! pnictogen molecular entity +id: CHEBI:77185 +name: 1-palmityl-2-oleoyl-sn-glycerol +is_a: CHEBI:52595 ! 1-alkyl-2-acyl-sn-glycerol +relationship: has_part CHEBI:25842 ! palmityl group [Term] -id: CHEBI:35902 -name: oxo monocarboxylic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:35903 ! oxo carboxylic acid anion +id: CHEBI:77186 +name: 1-palmityl-2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:73332 ! 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:35903 -name: oxo carboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:77187 +name: 1-palmityl-2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:73332 ! 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:35907 -name: glutarate(1-) -is_a: CHEBI:24329 ! glutarate -is_a: CHEBI:35695 ! dicarboxylic acid monoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77189 +name: (3R)-hydroxyhexadecanedioyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA [Term] -id: CHEBI:35910 -name: 2-oxo monocarboxylic acid -is_a: CHEBI:35871 ! oxo monocarboxylic acid +id: CHEBI:7719 +name: ochratoxin A +is_a: CHEBI:25985 ! phenylalanine derivative +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:38762 ! isochromanes +is_a: CHEBI:77673 ! N-acyl-L-phenylalanine +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:38215 ! calcium channel blocker +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:61015 ! nephrotoxin +relationship: has_role CHEBI:76956 ! Aspergillus metabolite +relationship: has_role CHEBI:76964 ! Penicillium metabolite [Term] -id: CHEBI:35923 -name: hydroperoxide -is_a: CHEBI:24651 ! hydroxides -relationship: has_part CHEBI:29792 ! hydroperoxy group +id: CHEBI:77190 +name: CDP-dipalmitoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) [Term] -id: CHEBI:35924 -name: peroxol -is_a: CHEBI:35923 ! hydroperoxide -is_a: CHEBI:36963 ! organooxygen compound -is_a: CHEBI:37863 ! chalcoperoxol +id: CHEBI:77191 +name: 3-oxohexadecanedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:35940 -name: protirelin -is_a: CHEBI:25905 ! peptide hormone -is_a: CHEBI:47923 ! tripeptide -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77194 +name: EC 2.7.1.33 (pantothenate kinase) inhibitor +is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor [Term] -id: CHEBI:35942 -name: neurotransmitter agent -is_a: CHEBI:23888 ! drug -is_a: CHEBI:52210 ! pharmacological role +id: CHEBI:77195 +name: 10-carboxy-13-deoxydaunorubicin +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:49322 ! anthracycline antibiotic +is_a: CHEBI:63367 ! monosaccharide derivative [Term] -id: CHEBI:35969 -name: 3-hydroxy monocarboxylic acid -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid -is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +id: CHEBI:77198 +name: 6-sulfoquinovose +is_a: CHEBI:38029 ! carbohydrate sulfonate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:35970 -name: 4-hydroxy monocarboxylic acid -is_a: CHEBI:13611 ! 4-hydroxy carboxylic acid -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +id: CHEBI:77199 +name: (3S)-hydroxyhexadecanedioyl-CoA +is_a: CHEBI:15455 ! (S)-3-hydroxyacyl-CoA [Term] -id: CHEBI:35972 -name: dihydroxy monocarboxylic acid -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +id: CHEBI:77200 +name: (10E,12Z)-octadecadienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:35973 -name: 3-oxo monocarboxylic acid anion -is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +id: CHEBI:77201 +name: (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78052 ! tetracosapentaenoate [Term] -id: CHEBI:35974 -name: 4-oxo monocarboxylic acid anion -is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +id: CHEBI:77202 +name: (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78056 ! tetracosahexaenoate [Term] -id: CHEBI:35975 -name: 5-oxo monocarboxylic acid anion -is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +id: CHEBI:77203 +name: (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78051 ! hexacosapentaenoate [Term] -id: CHEBI:35983 -name: 7-oxo monocarboxylic acid -is_a: CHEBI:35871 ! oxo monocarboxylic acid +id: CHEBI:77205 +name: (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78057 ! hexacosahexaenoate [Term] -id: CHEBI:35987 -name: diamino acid -is_a: CHEBI:33709 ! amino acid +id: CHEBI:77206 +name: (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78063 ! octacosapentaenoate [Term] -id: CHEBI:35990 -name: bridged compound -is_a: CHEBI:33635 ! polycyclic compound +id: CHEBI:77207 +name: tetradecanedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:35992 -name: penams -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:27933 ! beta-lactam antibiotic -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:77208 +name: hexadecanedioyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:35998 -name: tridecane -is_a: CHEBI:83563 ! long-chain alkane -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77211 +name: (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78080 ! triacontahexaenoate [Term] -id: CHEBI:36009 -name: omega-6 fatty acid -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:59549 ! essential fatty acid +id: CHEBI:77212 +name: (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78082 ! dotriacontapentaenoate [Term] -id: CHEBI:36016 -name: chloroethanes -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:23128 ! chloroalkane +id: CHEBI:77213 +name: (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78083 ! dotriacontahexaenoate [Term] -id: CHEBI:36021 -name: octadec-9-enoic acid -is_a: CHEBI:25634 ! octadecenoic acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77214 +name: (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78087 ! tetratriacontapentaenoate [Term] -id: CHEBI:36027 -name: stilbenol -is_a: CHEBI:26776 ! stilbenoid -is_a: CHEBI:33853 ! phenols +id: CHEBI:77215 +name: (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78088 ! tetratriacontahexaenoate [Term] -id: CHEBI:36029 -name: butenoate -is_a: CHEBI:2580 ! unsaturated fatty acid anion -is_a: CHEBI:58951 ! short-chain fatty acid anion +id: CHEBI:77216 +name: (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78091 ! hexatriacontapentaenoate [Term] -id: CHEBI:36033 -name: icosatetraenoic acid -is_a: CHEBI:132539 ! fatty acid 20:4 -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:53339 ! olefinic fatty acid -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite +id: CHEBI:77217 +name: (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78092 ! hexatriacontahexaenoate [Term] -id: CHEBI:36036 -name: icosatrienoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:59202 ! straight-chain fatty acid -is_a: CHEBI:73155 ! trienoic fatty acid +id: CHEBI:77218 +name: (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78094 ! octatriacontapentaenoate [Term] -id: CHEBI:36038 -name: icosa-7,9,11,14-tetraenoic acid -is_a: CHEBI:36033 ! icosatetraenoic acid +id: CHEBI:77219 +name: (9Z,12Z)-hexadecadienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78096 ! hexadecadienoate [Term] -id: CHEBI:36040 -name: icosa-6,8,11,14-tetraenoic acid -is_a: CHEBI:36033 ! icosatetraenoic acid +id: CHEBI:77220 +name: (11Z,14Z)-icosadienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78073 ! icosadienoate [Term] -id: CHEBI:36043 -name: antimicrobial drug -is_a: CHEBI:33281 ! antimicrobial agent -is_a: CHEBI:35441 ! antiinfective agent +id: CHEBI:77221 +name: (17Z)-hexacosenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:78055 ! hexacosenoate [Term] -id: CHEBI:36044 -name: antiviral drug -is_a: CHEBI:22587 ! antiviral agent -is_a: CHEBI:36043 ! antimicrobial drug +id: CHEBI:77222 +name: (6Z,9Z,12Z,15Z)-octadecatetraenoate +is_a: CHEBI:78050 ! octadecatetraenoate +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:36045 -name: icosa-6,8,10,14-tetraenoic acid -is_a: CHEBI:36033 ! icosatetraenoic acid +id: CHEBI:77223 +name: (11Z,14Z,17Z)-icosatrienoate +is_a: CHEBI:78072 ! icosatrienoate +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:36047 -name: antibacterial drug -is_a: CHEBI:33282 ! antibacterial agent -is_a: CHEBI:36043 ! antimicrobial drug +id: CHEBI:77224 +name: (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate +is_a: CHEBI:78053 ! docosapentaenoate +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:36054 -name: benzoate ester -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:62732 ! aromatic ester +id: CHEBI:77225 +name: (7Z,10Z,13Z,16Z)-docosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78069 ! docosatetraenoate [Term] -id: CHEBI:36059 -name: hydroxy monocarboxylic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:77226 +name: (4Z,7Z,10Z,13Z,16Z)-docosapentaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78053 ! docosapentaenoate [Term] -id: CHEBI:36062 -name: 3,4-dihydroxybenzoic acid -is_a: CHEBI:23778 ! dihydroxybenzoic acid -is_a: CHEBI:33566 ! catechols -relationship: has_role CHEBI:132365 ! EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor +id: CHEBI:77227 +name: (9Z,12Z,15Z,18Z)-tetracosatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78061 ! tetracosatetraenoate [Term] -id: CHEBI:36063 -name: oxytocic -is_a: CHEBI:23888 ! drug +id: CHEBI:77228 +name: (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78052 ! tetracosapentaenoate [Term] -id: CHEBI:36064 -name: taxane -is_a: CHEBI:35190 ! diterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77229 +name: (11Z,14Z,17Z,20Z)-hexacosatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78054 ! hexacosatetraenoate [Term] -id: CHEBI:36078 -name: cholanoid -is_a: CHEBI:35341 ! steroid +id: CHEBI:77231 +name: (13Z,16Z,19Z,22Z)-octacosatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78062 ! octacosatetraenoate [Term] -id: CHEBI:36080 -name: protein -is_a: CHEBI:33695 ! information biomacromolecule -relationship: has_part CHEBI:16541 ! protein polypeptide chain +id: CHEBI:77232 +name: (15Z,18Z,21Z,24Z)-triacontatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78079 ! triacontatetraenoate + +[Term] +id: CHEBI:77233 +name: (17Z,20Z,23Z,26Z)-dotriacontatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78081 ! dotriacontatetraenoate [Term] -id: CHEBI:36084 -name: dihydroxybenzoate -is_a: CHEBI:24675 ! hydroxybenzoate +id: CHEBI:77234 +name: (19Z,22Z,25Z,28Z)-tetratriacontatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78086 ! tetratriacontatetraenoate [Term] -id: CHEBI:36085 -name: trihydroxybenzoate -is_a: CHEBI:24675 ! hydroxybenzoate +id: CHEBI:77235 +name: (21Z,24Z,27Z,30Z)-hexatriacontatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78089 ! hexatriacontatetraenoate [Term] -id: CHEBI:36087 -name: cinnamate ester -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:51702 ! enoate ester +id: CHEBI:77236 +name: (23Z,26Z,29Z,32Z)-octatriacontatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +is_a: CHEBI:78093 ! octatriacontatetraenoate [Term] -id: CHEBI:36088 -name: thromboxanes A -is_a: CHEBI:26995 ! thromboxane +id: CHEBI:77237 +name: O-hexadecanedioyl-L-carnitine +is_a: CHEBI:73081 ! O-(15-carboxypentadecanoyl)carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:36090 -name: 4-coumaric acid -is_a: CHEBI:23401 ! coumaric acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77239 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:140354 ! phosphatidic acid 38:4 +is_a: CHEBI:75112 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:36091 -name: cinnamates -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:77240 +name: alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:90379 ! beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer [Term] -id: CHEBI:36094 -name: organic chloride salt -is_a: CHEBI:23114 ! chloride salt -is_a: CHEBI:51069 ! organic halide salt +id: CHEBI:77241 +name: 1-arachidoyl-2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:75112 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:36109 -name: piperidinecarboxylate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:77248 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate +is_a: CHEBI:134237 ! phosphatidic acid 36:2 +is_a: CHEBI:75110 ! 1-acyl-2-linoleoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:36110 -name: pipecolate -is_a: CHEBI:36109 ! piperidinecarboxylate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77250 +name: pristanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) [Term] -id: CHEBI:36112 -name: pyridinedicarboxylic acid -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:77251 +name: (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:36114 -name: chromenylium -is_a: CHEBI:72704 ! chromenyliums +id: CHEBI:77252 +name: 1,2-diarachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:75112 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:36121 -name: flavylium -is_a: CHEBI:72704 ! chromenyliums +id: CHEBI:77253 +name: tetraoleoyl cardiolipin(2-) +is_a: CHEBI:72896 ! cardiolipin 72:4(2-) [Term] -id: CHEBI:36123 -name: cyclitol carboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33598 ! carbocyclic compound -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +id: CHEBI:77254 +name: 1,2-dilinoleoyl-sn-glycero-3-phosphate +is_a: CHEBI:75110 ! 1-acyl-2-linoleoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:36125 -name: cyclitol carboxylic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:77255 +name: EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor +is_a: CHEBI:59107 ! EC 3.4.24.* (metalloendopeptidase) inhibitor [Term] -id: CHEBI:36126 -name: cyclohexenecarboxylate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:77256 +name: 1,1'-dioleyl 2,2'-dilysocardiolipin(2-) +is_a: CHEBI:75137 ! 2,2'-dilysocardiolipin(2-) [Term] -id: CHEBI:36128 -name: cyclopropanecarboxylate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:77257 +name: (2S)-2-methylpentadecanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:36130 -name: cyclic terpene ketone -is_a: CHEBI:26872 ! terpene ketone -is_a: CHEBI:36132 ! alicyclic ketone +id: CHEBI:77258 +name: 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate +is_a: CHEBI:140353 ! phosphatidic acid 40:6 +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:36132 -name: alicyclic ketone -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:77259 +name: trioleoyl 2-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:36140 -name: cyclopentanones -is_a: CHEBI:36132 ! alicyclic ketone +id: CHEBI:77261 +name: 6-deoxy-6-sulfo-D-fructofuranose +is_a: CHEBI:38029 ! carbohydrate sulfonate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:36141 -name: quinone -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:77263 +name: 6-deoxy-6-sulfo-D-fructofuranose 1-phosphate +is_a: CHEBI:26816 ! carbohydrate phosphate +is_a: CHEBI:38029 ! carbohydrate sulfonate +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:36145 -name: oxo dicarboxylic acid -is_a: CHEBI:25754 ! oxo carboxylic acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:77265 +name: 3-sulfolactaldehyde +is_a: CHEBI:26282 ! propanals +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:47901 ! alkanesulfonic acid [Term] -id: CHEBI:36147 -name: oxo dicarboxylate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:77267 +name: 3-sulfopropanediol +is_a: CHEBI:26284 ! propane-1,2-diols +is_a: CHEBI:47901 ! alkanesulfonic acid +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:36149 -name: 2-hydroxyglutarate(1-) -is_a: CHEBI:132941 ! 2-hydroxyglutarate -is_a: CHEBI:35695 ! dicarboxylic acid monoanion +id: CHEBI:77268 +name: pristanate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:83976 ! 2-methyl fatty acid anion [Term] -id: CHEBI:36158 -name: metalloprotoporphyrin -is_a: CHEBI:25216 ! metalloporphyrin -is_a: CHEBI:26361 ! protoporphyrins +id: CHEBI:77269 +name: dTDP-beta-L-evernitrose +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:35716 ! C-nitro compound [Term] -id: CHEBI:36164 -name: amino dicarboxylic acid -is_a: CHEBI:33709 ! amino acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:77271 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate +is_a: CHEBI:17526 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate [Term] -id: CHEBI:36165 -name: pimelate(2-) -is_a: CHEBI:133773 ! pimelate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:77272 +name: 1,3-diacyl-sn-glycerol +is_a: CHEBI:47777 ! 1,3-diglyceride [Term] -id: CHEBI:36166 -name: 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:77274 +name: 1-alkyl-3-acyl-sn-glycerol +is_a: CHEBI:76225 ! 1-alkyl-3-acylglycerol [Term] -id: CHEBI:36173 -name: pyridinedicarboxylate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:77275 +name: (2R)-pristanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) [Term] -id: CHEBI:36178 -name: cytoporphyrins -is_a: CHEBI:26214 ! porphyrins +id: CHEBI:77276 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate +is_a: CHEBI:18348 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate [Term] -id: CHEBI:36180 -name: butenedioate -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:61336 ! C4-dicarboxylate +id: CHEBI:77277 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate +is_a: CHEBI:17526 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate [Term] -id: CHEBI:36181 -name: succinate ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:77279 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate +is_a: CHEBI:18348 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate [Term] -id: CHEBI:36186 -name: cyclobutanedicarboxylic acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:77280 +name: dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:35800 ! nitroso compound [Term] -id: CHEBI:36197 -name: pyrandicarboxylic acid -is_a: CHEBI:26407 ! pyrans -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:77281 +name: dTDP-N-hydroxy-beta-L-evernosamine +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:24709 ! hydroxylamines [Term] -id: CHEBI:36200 -name: hepoxilin -is_a: CHEBI:36036 ! icosatrienoic acid +id: CHEBI:77283 +name: 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:73325 ! 1-(alk-1-enyl)-sn-glycero-3-phosphate(2-) +is_a: CHEBI:78171 ! monoalkenylglycero-3-phosphate(2-) +is_a: CHEBI:78174 ! 1-(alk-1-enyl)-glycero-3-phosphate(2-) [Term] -id: CHEBI:36205 -name: cyclobutanedicarboxylate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:77284 +name: 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:73327 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:78183 ! 1-alkenyl-2-acyl-glycero-3-phosphate(2-) [Term] -id: CHEBI:36208 -name: shikimate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -is_a: CHEBI:36126 ! cyclohexenecarboxylate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:77285 +name: dTDP-beta-L-evernosamine +is_a: CHEBI:23557 ! dTDP-sugar [Term] -id: CHEBI:36219 -name: alpha-lactose -is_a: CHEBI:17716 ! lactose +id: CHEBI:77286 +name: 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:17810 ! 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:36233 -name: disaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:77287 +name: 1-(Z)-alk-1-enyl-sn-glycero-3-phosphocholine +is_a: CHEBI:17832 ! 1-O-(alk-1-enyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:78195 ! 1-(alk-1-enyl)glycero-3-phosphocholine [Term] -id: CHEBI:36234 -name: chenodeoxycholate -is_a: CHEBI:131878 ! cholanic acid anion -is_a: CHEBI:36235 ! bile acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77288 +name: 1-(Z)-alk-1-enyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:57514 ! 1-(alk-1-enyl)-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36235 -name: bile acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:50160 ! steroid acid anion +id: CHEBI:77290 +name: 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60260 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36237 -name: cholanic acid -is_a: CHEBI:36278 ! cholanic acids +id: CHEBI:77291 +name: 1-(Z)-alk-1-enyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:75147 ! 1-(alk-1-enyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36238 -name: 5beta-cholanic acid -is_a: CHEBI:36237 ! cholanic acid -is_a: CHEBI:36248 ! 5beta-cholanic acids +id: CHEBI:77292 +name: 1-(1Z)-hexadecenyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:17810 ! 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:36241 -name: 3,4-dihydroxybenzoate -is_a: CHEBI:36084 ! dihydroxybenzoate +id: CHEBI:77293 +name: (E)-2,3-didehydropristanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) [Term] -id: CHEBI:36242 -name: 3-(4-hydroxyphenyl)pyruvate -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77294 +name: 1-(Z)-alk-1-enyl-2-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:75148 ! 1-(alk-1-enyl)-2-oleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:77286 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:36243 -name: propanoate ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:77295 +name: 1-(Z)-alk-1-enyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:75155 ! 1-(alk-1-enyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36244 -name: dicarboxylic acid monoester -is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:77296 +name: 1-(Z)-alk-1-enyl-2-acyl-sn-glycerol +is_a: CHEBI:73320 ! 1-(alk-1-enyl)-2-acyl-sn-glycerol +is_a: CHEBI:77999 ! 1(3)-O-(alk-1-enyl)-2-acylglycerol [Term] -id: CHEBI:36248 -name: 5beta-cholanic acids -is_a: CHEBI:136889 ! 5beta steroid -is_a: CHEBI:36278 ! cholanic acids +id: CHEBI:77297 +name: 1-(Z)-alk-1-enyl-sn-glycerol +is_a: CHEBI:73322 ! 1-(alk-1-enyl)-sn-glycerol [Term] -id: CHEBI:36258 -name: but-2-enoate -is_a: CHEBI:36029 ! butenoate +id: CHEBI:77301 +name: 1-(Z)-alk-1-enyl-2-octanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:75255 ! 1-O-(alk-1-enyl)-2-octanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36260 -name: monohydroxy-5beta-cholanic acid -is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid +id: CHEBI:77302 +name: 1-(Z)-alk-1-enyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:75256 ! 1-O-(alk-1-enyl)-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36262 -name: molybdenum oxoanion -is_a: CHEBI:35202 ! molybdenum coordination entity -is_a: CHEBI:35405 ! transition element oxoanion +id: CHEBI:77303 +name: 1-(Z)-alk-1-enyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:75257 ! 1-O-(alk-1-enyl)-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36263 -name: hydrogenmolybdate -is_a: CHEBI:36262 ! molybdenum oxoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:77304 +name: 1-(Z)-alk-1-enyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:75289 ! 1-O-(alk-1-enyl)-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:77286 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:36264 -name: molybdate -is_a: CHEBI:36262 ! molybdenum oxoanion -is_a: CHEBI:79388 ! divalent inorganic anion -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:77305 +name: 1-(Z)-alk-1-enyl-2-acylglycerol +is_a: CHEBI:16903 ! 1-O-(alk-1-enyl)-2-O-acylglycerol [Term] -id: CHEBI:36265 -name: transition element oxoacid -is_a: CHEBI:33861 ! transition element coordination entity +id: CHEBI:77307 +name: cardioprotective agent +is_a: CHEBI:50267 ! protective agent [Term] -id: CHEBI:36267 -name: molybdenum oxoacid -is_a: CHEBI:35202 ! molybdenum coordination entity -is_a: CHEBI:36265 ! transition element oxoacid +id: CHEBI:77310 +name: (E)-2-methylpentadec-2-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:36270 -name: tungsten oxoanion -is_a: CHEBI:35233 ! tungsten coordination entity -is_a: CHEBI:35405 ! transition element oxoanion +id: CHEBI:77318 +name: pregnane X receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:36271 -name: hydrogentungstate -is_a: CHEBI:36270 ! tungsten oxoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:77326 +name: androstane receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:36272 -name: tungstic acid -is_a: CHEBI:35233 ! tungsten coordination entity +id: CHEBI:77330 +name: polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:77632 ! unsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:36275 -name: HETE -is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:23899 ! icosanoid -is_a: CHEBI:53339 ! olefinic fatty acid +id: CHEBI:77331 +name: monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:77632 ! unsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:36278 -name: cholanic acids -is_a: CHEBI:36078 ! cholanoid -is_a: CHEBI:47891 ! steroid acid +id: CHEBI:77332 +name: saturated fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:36281 -name: caffeic acid -is_a: CHEBI:24689 ! hydroxycinnamic acid -is_a: CHEBI:33566 ! catechols -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor -relationship: has_role CHEBI:64964 ! EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor -relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor -relationship: has_role CHEBI:76797 ! EC 2.5.1.18 (glutathione transferase) inhibitor -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77342 +name: 2-oleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:65214 ! 2-acyl-sn-glycero-3-phosphoserine(1-) [Term] -id: CHEBI:36299 -name: tricarboxylic acid monoanion -is_a: CHEBI:35753 ! tricarboxylic acid anion +id: CHEBI:77343 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:65090 ! 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:90431 ! phosphatidylinositol(18:0/18:2) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:36300 -name: tricarboxylic acid dianion -is_a: CHEBI:35753 ! tricarboxylic acid anion +id: CHEBI:77344 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate +is_a: CHEBI:16500 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate [Term] -id: CHEBI:36306 -name: icosa-5,8,11,14-tetraenoic acid -is_a: CHEBI:36033 ! icosatetraenoic acid +id: CHEBI:77345 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate +is_a: CHEBI:16500 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate [Term] -id: CHEBI:36307 -name: glycosyl alditol -is_a: CHEBI:17522 ! alditol +id: CHEBI:77346 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:65090 ! 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol [Term] -id: CHEBI:36309 -name: cyclic tetrapyrrole -is_a: CHEBI:26932 ! tetrapyrrole -is_a: CHEBI:47882 ! cyclic polypyrrole +id: CHEBI:77347 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate +is_a: CHEBI:16500 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate [Term] -id: CHEBI:36311 -name: corphinoid -is_a: CHEBI:36309 ! cyclic tetrapyrrole +id: CHEBI:77348 +name: 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol [Term] -id: CHEBI:36313 -name: glycerophosphocholine -is_a: CHEBI:36700 ! phosphocholines -is_a: CHEBI:37739 ! glycerophospholipid +id: CHEBI:77349 +name: 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate +is_a: CHEBI:16500 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate [Term] -id: CHEBI:36314 -name: glycerophosphoethanolamine -is_a: CHEBI:36711 ! phosphoethanolamine -is_a: CHEBI:37739 ! glycerophospholipid +id: CHEBI:7735 +name: olanzapine +is_a: CHEBI:22720 ! benzodiazepine +is_a: CHEBI:46848 ! N-arylpiperazine +is_a: CHEBI:46920 ! N-methylpiperazine +relationship: has_role CHEBI:37956 ! histamine antagonist +relationship: has_role CHEBI:48279 ! serotonergic antagonist +relationship: has_role CHEBI:48561 ! dopaminergic antagonist +relationship: has_role CHEBI:48876 ! muscarinic antagonist +relationship: has_role CHEBI:50919 ! antiemetic +relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor +relationship: has_role CHEBI:65191 ! second generation antipsychotic [Term] -id: CHEBI:36315 -name: glycerophosphoinositol -is_a: CHEBI:37739 ! glycerophospholipid +id: CHEBI:77350 +name: neopikromycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:36316 -name: dipyrrole -is_a: CHEBI:38077 ! polypyrrole +id: CHEBI:77351 +name: novapikromycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36321 -name: porphyrinogens -is_a: CHEBI:26214 ! porphyrins -is_a: CHEBI:51389 ! calixpyrroles +id: CHEBI:77352 +name: methymycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36333 -name: local anaesthetic -is_a: CHEBI:38867 ! anaesthetic +id: CHEBI:77353 +name: neomethymycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36334 -name: naphthalene-1,3,5-trisulfonic acid -is_a: CHEBI:36336 ! naphthalenesulfonic acid +id: CHEBI:77354 +name: novamethymycin(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36335 -name: trypanocidal drug -is_a: CHEBI:35820 ! antiprotozoal drug +id: CHEBI:77355 +name: 1-palmityl-2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:37296 ! 1-alkyl-2-acyl-sn-glycerol 3-phosphate +relationship: has_part CHEBI:25842 ! palmityl group [Term] -id: CHEBI:36336 -name: naphthalenesulfonic acid -is_a: CHEBI:25477 ! naphthalenes -is_a: CHEBI:33555 ! arenesulfonic acid +id: CHEBI:77357 +name: 1-palmityl-2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:37296 ! 1-alkyl-2-acyl-sn-glycerol 3-phosphate +relationship: has_part CHEBI:25842 ! palmityl group [Term] -id: CHEBI:36338 -name: lepton -is_a: CHEBI:33233 ! fundamental particle -is_a: CHEBI:36340 ! fermion +id: CHEBI:77358 +name: CDP-dipalmitoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol +relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite [Term] -id: CHEBI:36339 -name: baryon -is_a: CHEBI:36340 ! fermion -is_a: CHEBI:36344 ! hadron +id: CHEBI:77360 +name: (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78862 ! tetracosapentaenoic acid [Term] -id: CHEBI:36340 -name: fermion -is_a: CHEBI:36342 ! subatomic particle +id: CHEBI:77366 +name: (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:72714 ! tetracosahexaenoic acid [Term] -id: CHEBI:36341 -name: boson -is_a: CHEBI:36342 ! subatomic particle +id: CHEBI:77368 +name: (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78863 ! hexacosapentaenoic acid [Term] -id: CHEBI:36342 -name: subatomic particle +id: CHEBI:77369 +name: 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:36343 -name: composite particle -is_a: CHEBI:36342 ! subatomic particle +id: CHEBI:77370 +name: 1-palmitoyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36344 -name: hadron -is_a: CHEBI:36343 ! composite particle +id: CHEBI:77371 +name: (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78866 ! hexacosahexaenoic acid [Term] -id: CHEBI:36347 -name: nuclear particle -is_a: CHEBI:36342 ! subatomic particle +id: CHEBI:77372 +name: (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78869 ! octacosapentaenoic acid [Term] -id: CHEBI:36357 -name: polyatomic entity -is_a: CHEBI:23367 ! molecular entity -relationship: has_part CHEBI:24433 ! group +id: CHEBI:77377 +name: (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78917 ! triacontahexaenoic acid [Term] -id: CHEBI:36358 -name: polyatomic ion -is_a: CHEBI:24870 ! ion -is_a: CHEBI:36357 ! polyatomic entity +id: CHEBI:77379 +name: (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78920 ! dotriacontapentaenoic acid [Term] -id: CHEBI:36359 -name: phosphorus oxoacid derivative -is_a: CHEBI:33241 ! oxoacid derivative -is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives +id: CHEBI:77386 +name: tricaproin +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:87656 ! hexanoate ester +relationship: has_role CHEBI:71692 ! insect repellent [Term] -id: CHEBI:36360 -name: phosphorus oxoacids and derivatives -is_a: CHEBI:26082 ! phosphorus molecular entity +id: CHEBI:77387 +name: 2,3-dihexanoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:87656 ! hexanoate ester [Term] -id: CHEBI:36361 -name: phosphorous acid -is_a: CHEBI:33457 ! phosphorus oxoacid +id: CHEBI:77388 +name: tricaprin +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:3638 -name: chloroquine -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:36709 ! aminoquinoline -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:35842 ! antirheumatic drug -relationship: has_role CHEBI:38068 ! antimalarial -relationship: has_role CHEBI:50177 ! dermatologic drug -relationship: has_role CHEBI:88230 ! autophagy inhibitor +id: CHEBI:77389 +name: trilaurin +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:36387 -name: chloroalkene -is_a: CHEBI:39482 ! chloroolefin -is_a: CHEBI:5610 ! haloalkene +id: CHEBI:77390 +name: 2,3-dilauroyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:36388 -name: saturated organic heterocyclic parent -is_a: CHEBI:35552 ! heterocyclic organic fundamental parent +id: CHEBI:77391 +name: trimyristin +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:36389 -name: saturated organic heteromonocyclic parent -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:36388 ! saturated organic heterocyclic parent +id: CHEBI:77392 +name: 2,3-dimyristoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:36403 -name: monocyclic olefin -is_a: CHEBI:33642 ! cyclic olefin +id: CHEBI:77393 +name: tripalmitin +is_a: CHEBI:17855 ! triglyceride [Term] -id: CHEBI:36416 -name: mancude organic heterotricyclic parent -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:35571 ! mancude organic heterocyclic parent +id: CHEBI:77394 +name: 2,3-dipalmitoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol [Term] -id: CHEBI:36420 -name: acridine -is_a: CHEBI:22213 ! acridines -is_a: CHEBI:36416 ! mancude organic heterotricyclic parent -is_a: CHEBI:38180 ! polycyclic heteroarene -relationship: has_role CHEBI:50902 ! genotoxin +id: CHEBI:77395 +name: 2,3-distearoyl-sn-glycerol +is_a: CHEBI:75524 ! 2,3-diacyl-sn-glycerol [Term] -id: CHEBI:36432 -name: 2-methylbut-2-enoic acid -is_a: CHEBI:25413 ! monounsaturated fatty acid -is_a: CHEBI:26666 ! short-chain fatty acid -is_a: CHEBI:62499 ! methyl-branched fatty acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:77396 +name: long-chain primary fatty alcohol +is_a: CHEBI:138088 ! long chain primary alcohol +is_a: CHEBI:17135 ! long-chain fatty alcohol [Term] -id: CHEBI:36434 -name: octadecatrienoate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:59203 ! straight-chain fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:77398 +name: 2-amino-2-phenylacetonitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:50994 ! primary amino compound [Term] -id: CHEBI:36451 -name: alkenylglucosinolate -is_a: CHEBI:24279 ! glucosinolate +id: CHEBI:77399 +name: D-alpha-phenylglycine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion [Term] -id: CHEBI:36453 -name: isocitrate(2-) -is_a: CHEBI:36300 ! tricarboxylic acid dianion +id: CHEBI:77400 +name: 2-aminopentanenitrile +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:80291 ! aliphatic nitrile [Term] -id: CHEBI:36454 -name: isocitrate(1-) -is_a: CHEBI:36299 ! tricarboxylic acid monoanion +id: CHEBI:77403 +name: (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78919 ! dotriacontahexaenoic acid [Term] -id: CHEBI:36464 -name: (R)-mevalonate -is_a: CHEBI:25350 ! mevalonate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77404 +name: (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78932 ! tetratriacontapentaenoic acid [Term] -id: CHEBI:36480 -name: bisabolane -is_a: CHEBI:35189 ! sesquiterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77409 +name: (3S)-3-hydroxy-L-lysine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:36481 -name: oleanane -is_a: CHEBI:35191 ! triterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77410 +name: (4R)-4-hydroxy-L-lysine(1+) +is_a: CHEBI:141496 ! 4-hydroxy-L-lysine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:36482 -name: hopane -is_a: CHEBI:35191 ! triterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77411 +name: (3S)-3-hydroxy-L-ornithine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:36483 -name: protostane -is_a: CHEBI:35191 ! triterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77417 +name: tetradecan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +is_a: CHEBI:78133 ! fatty alcohol 14:0 [Term] -id: CHEBI:36488 -name: dammarane -is_a: CHEBI:35191 ! triterpene -is_a: CHEBI:35341 ! steroid -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77425 +name: EC 1.1.1.188 (prostaglandin-F synthase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] -id: CHEBI:36498 -name: galactosylceramide -is_a: CHEBI:23079 ! cerebroside -is_a: CHEBI:5254 ! galactolipid -is_a: CHEBI:62941 ! glycosylceramide +id: CHEBI:77427 +name: (3R)-3-carboxy-3-hydroxypropanoyl-CoA(5-) +is_a: CHEBI:136881 ! 3-carboxy-3-hydroxypropanoyl-CoA(5-) [Term] -id: CHEBI:36500 -name: glucosylceramide -is_a: CHEBI:23079 ! cerebroside -is_a: CHEBI:62941 ! glycosylceramide +id: CHEBI:77429 +name: 1-palmitylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36505 -name: labdane -is_a: CHEBI:35190 ! diterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77444 +name: 1-undecene +is_a: CHEBI:32878 ! alkene +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:36513 -name: cadinane -is_a: CHEBI:35189 ! sesquiterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77450 +name: dicarboxylic acid monoamide(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:36514 -name: germacrane -is_a: CHEBI:35189 ! sesquiterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77452 +name: 2-deoxystreptamine cation +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36520 -name: oligoglycosylceramide -is_a: CHEBI:17761 ! ceramide -is_a: CHEBI:25513 ! neutral glycosphingolipid +id: CHEBI:77456 +name: 2-iminopropanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:36526 -name: acidic glycosphingolipid -is_a: CHEBI:24402 ! glycosphingolipid +id: CHEBI:77460 +name: L-aminoacyl-L-amino acid zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:36539 -name: kaurane -is_a: CHEBI:35190 ! diterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77465 +name: 1-oleylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36540 -name: ent-kaurane -is_a: CHEBI:35190 ! diterpene +id: CHEBI:77466 +name: 1-dodecylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36541 -name: sialotriaosylceramide -is_a: CHEBI:28892 ! ganglioside +id: CHEBI:77467 +name: 1-tetradecylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36543 -name: sialotetraosylceramide -is_a: CHEBI:28892 ! ganglioside +id: CHEBI:77468 +name: pentadecan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol [Term] -id: CHEBI:36544 -name: sialodiosylceramide -is_a: CHEBI:28892 ! ganglioside +id: CHEBI:77469 +name: 1-pentadecylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36562 -name: main-group coordination entity -is_a: CHEBI:33240 ! coordination entity -is_a: CHEBI:33579 ! main group molecular entity +id: CHEBI:7747 +name: oleuropein +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26407 ! pyrans +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:50274 ! secoiridoid glycoside +is_a: CHEBI:51307 ! diester +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35674 ! antihypertensive agent +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:36586 -name: carbonyl compound -is_a: CHEBI:36587 ! organic oxo compound -is_a: CHEBI:36963 ! organooxygen compound -relationship: has_part CHEBI:23019 ! carbonyl group +id: CHEBI:77470 +name: heptadecan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:36587 -name: organic oxo compound -is_a: CHEBI:72695 ! organic molecule -relationship: has_part CHEBI:46629 ! oxo group +id: CHEBI:77471 +name: 1-heptadecylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36606 -name: acid anhydride -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:77472 +name: 1-octadecylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36608 -name: acyclic acid anhydride -is_a: CHEBI:36606 ! acid anhydride +id: CHEBI:77473 +name: 1-(9Z,12Z)-octadecadienylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36615 -name: triterpenoid -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:77474 +name: (9Z,12Z,15Z)-octadecatrien-1-ol +is_a: CHEBI:77396 ! long-chain primary fatty alcohol +relationship: has_role CHEBI:33282 ! antibacterial agent [Term] -id: CHEBI:36622 -name: benzimidazole -is_a: CHEBI:22715 ! benzimidazoles -is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +id: CHEBI:77475 +name: 1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2-) +is_a: CHEBI:73315 ! 1-alkylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36623 -name: 4H-benzimidazole -is_a: CHEBI:36622 ! benzimidazole +id: CHEBI:77482 +name: (3S)-3-hydroxy-L-lysine +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid [Term] -id: CHEBI:36624 -name: naphthyridine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:35570 ! mancude organic heterobicyclic parent -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:50893 ! azaarene -is_a: CHEBI:52362 ! ortho-fused heteroarene +id: CHEBI:77483 +name: (4R)-4-hydroxy-L-lysine +is_a: CHEBI:20391 ! 4-hydroxy-L-lysine [Term] -id: CHEBI:36628 -name: 1,8-naphthyridine -is_a: CHEBI:36624 ! naphthyridine +id: CHEBI:77484 +name: EC 1.1.1.25 (shikimate dehydrogenase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] -id: CHEBI:36635 -name: p-toluic acid -is_a: CHEBI:25280 ! methylbenzoic acid +id: CHEBI:77488 +name: (3S)-3-hydroxy-L-ornithine +is_a: CHEBI:21368 ! L-ornithine derivative +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:36639 -name: 2H-benzimidazole -is_a: CHEBI:36622 ! benzimidazole +id: CHEBI:77492 +name: 1-oleoylglycerone 3-phosphate(2-) +is_a: CHEBI:57534 ! 1-acylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36641 -name: 3aH-benzimidazole -is_a: CHEBI:36622 ! benzimidazole +id: CHEBI:77493 +name: 1-linoleoylglycerone 3-phosphate(2-) +is_a: CHEBI:57534 ! 1-acylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36655 -name: glyoxylate -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77494 +name: 1-arachidonoylglycerone 3-phosphate(2-) +is_a: CHEBI:57534 ! 1-acylglycerone 3-phosphate(2-) [Term] -id: CHEBI:36660 -name: elemental tellurium -is_a: CHEBI:33305 ! tellurium molecular entity +id: CHEBI:77497 +name: (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:78933 ! tetratriacontahexaenoic acid [Term] -id: CHEBI:36674 -name: phenazine -is_a: CHEBI:36416 ! mancude organic heterotricyclic parent -is_a: CHEBI:36680 ! heteranthrene -is_a: CHEBI:38180 ! polycyclic heteroarene -is_a: CHEBI:39201 ! phenazines -is_a: CHEBI:50893 ! azaarene +id: CHEBI:77499 +name: (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78936 ! hexatriacontapentaenoic acid [Term] -id: CHEBI:36680 -name: heteranthrene -is_a: CHEBI:26979 ! organic heterotricyclic compound +id: CHEBI:77500 +name: (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78937 ! hexatriacontahexaenoic acid [Term] -id: CHEBI:36682 -name: polychlorinated dibenzodioxine -is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds -is_a: CHEBI:23825 ! dibenzodioxine -is_a: CHEBI:36683 ! organochlorine compound -relationship: has_role CHEBI:77853 ! persistent organic pollutant +id: CHEBI:77503 +name: (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoic acid +is_a: CHEBI:25681 ! omega-3 fatty acid +is_a: CHEBI:78939 ! octatriacontapentaenoic acid [Term] -id: CHEBI:36683 -name: organochlorine compound -is_a: CHEBI:23117 ! chlorine molecular entity -is_a: CHEBI:36684 ! organohalogen compound +id: CHEBI:77506 +name: 1-pentadecene +is_a: CHEBI:32878 ! alkene +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:36684 -name: organohalogen compound -is_a: CHEBI:33285 ! heteroorganic entity -is_a: CHEBI:37578 ! halide +id: CHEBI:77521 +name: thermal degradation product +is_a: CHEBI:51086 ! chemical role [Term] -id: CHEBI:36685 -name: chlorocarboxylic acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:77522 +name: (9Z,12Z)-hexadecadienoic acid +is_a: CHEBI:77524 ! hexadecadienoic acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:36686 -name: chloroarene -is_a: CHEBI:23115 ! chlorohydrocarbon -is_a: CHEBI:50887 ! haloarene +id: CHEBI:77523 +name: Maillard reaction product +is_a: CHEBI:77521 ! thermal degradation product [Term] -id: CHEBI:36688 -name: heterotricyclic compound -is_a: CHEBI:33671 ! heteropolycyclic compound +id: CHEBI:77524 +name: hexadecadienoic acid +is_a: CHEBI:132494 ! fatty acid 16:2 +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:36699 -name: corticosteroid hormone -is_a: CHEBI:26764 ! steroid hormone -is_a: CHEBI:50858 ! corticosteroid +id: CHEBI:77525 +name: (17Z)-hexacosenoic acid +is_a: CHEBI:78865 ! hexacosenoic acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:36700 -name: phosphocholines -is_a: CHEBI:23213 ! choline ester -is_a: CHEBI:23217 ! cholines -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:77526 +name: (9Z,12Z,15Z,18Z)-tetracosatetraenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78867 ! tetracosatetraenoic acid [Term] -id: CHEBI:36702 -name: 2-acyl-1-alkyl-sn-glycero-3-phosphocholine -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:68489 ! alkyl,acyl-sn-glycero-3-phosphocholine -is_a: CHEBI:78186 ! 1-alkyl-2-acyl-glycero-3-phosphocholine +id: CHEBI:77527 +name: (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78862 ! tetracosapentaenoic acid [Term] -id: CHEBI:36707 -name: 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine +id: CHEBI:77528 +name: (11Z,14Z,17Z,20Z)-hexacosatetraenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78864 ! hexacosatetraenoic acid [Term] -id: CHEBI:36709 -name: aminoquinoline -is_a: CHEBI:26513 ! quinolines -is_a: CHEBI:33860 ! aromatic amine +id: CHEBI:77532 +name: (13Z,16Z,19Z,22Z)-octacosatetraenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78868 ! octacosatetraenoic acid [Term] -id: CHEBI:36711 -name: phosphoethanolamine -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:77534 +name: (15Z,18Z,21Z,24Z)-triacontatetraenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78915 ! triacontatetraenoic acid [Term] -id: CHEBI:36717 -name: monochlorobiphenyl -is_a: CHEBI:35446 ! chlorobiphenyl -is_a: CHEBI:83403 ! monochlorobenzenes +id: CHEBI:77535 +name: (17Z,20Z,23Z,26Z)-dotriacontatetraenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78918 ! dotriacontatetraenoic acid [Term] -id: CHEBI:36721 -name: pentachlorobiphenyl -is_a: CHEBI:53156 ! polychlorobiphenyl +id: CHEBI:77536 +name: (19Z,22Z,25Z,28Z)-tetratriacontatetraenoic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:36009 ! omega-6 fatty acid [Term] -id: CHEBI:36735 -name: biladienes -is_a: CHEBI:25046 ! linear tetrapyrrole +id: CHEBI:77537 +name: trans-9-octadecenoyl-CoA(4-) +is_a: CHEBI:139567 ! octadecenoyl-CoA(4-) [Term] -id: CHEBI:36740 -name: alpha-pinene -is_a: CHEBI:17187 ! pinene -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77538 +name: (21Z,24Z,27Z,30Z)-hexatriacontatetraenoic acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78935 ! hexatriacontatetraenoic acid [Term] -id: CHEBI:36749 -name: dipyrrins -is_a: CHEBI:36316 ! dipyrrole +id: CHEBI:77539 +name: (23Z,26Z,29Z,32Z)-octatriacontatetraenoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:78938 ! octatriacontatetraenoic acid [Term] -id: CHEBI:36756 -name: farnesane -is_a: CHEBI:18310 ! alkane -is_a: CHEBI:35189 ! sesquiterpene -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:7754 +name: oligonucleotide +is_a: CHEBI:61120 ! nucleobase-containing molecular entity [Term] -id: CHEBI:36757 -name: farnesane sesquiterpenoid -is_a: CHEBI:26658 ! sesquiterpenoid +id: CHEBI:77545 +name: trans-2-pentadecenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:36758 -name: apo carotenoid sesquiterpenoid -is_a: CHEBI:26658 ! sesquiterpenoid -is_a: CHEBI:53183 ! apo carotenoid +id: CHEBI:77547 +name: undecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:36765 -name: gibberellane -is_a: CHEBI:35190 ! diterpene +id: CHEBI:77548 +name: trans-2-undecenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:36766 -name: ent-gibberellane -is_a: CHEBI:35190 ! diterpene +id: CHEBI:77549 +name: (2E,9Z)-hexadecadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:36770 -name: labdane diterpenoid -is_a: CHEBI:23849 ! diterpenoid +id: CHEBI:77550 +name: (2R)-pristanoyl-CoA +is_a: CHEBI:51341 ! pristanoyl-CoA [Term] -id: CHEBI:36772 -name: diterpenyl phosphate -is_a: CHEBI:26875 ! terpenyl phosphate +id: CHEBI:77551 +name: trans-2-heptadecenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:36773 -name: camphor -is_a: CHEBI:22912 ! bornane monoterpenoid -is_a: CHEBI:23446 ! cyclic monoterpene ketone -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77552 +name: (2E,9E)-octadecadienoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:36785 -name: carbobicyclic compound -is_a: CHEBI:33636 ! bicyclic compound -is_a: CHEBI:35294 ! carbopolycyclic compound +id: CHEBI:77553 +name: (2E,9Z)-octadecadienoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:36786 -name: tetralins -is_a: CHEBI:33836 ! benzenoid aromatic compound -is_a: CHEBI:36785 ! carbobicyclic compound +id: CHEBI:77557 +name: (2S)-2-methylpentadecanoyl-CoA +is_a: CHEBI:15451 ! (2S)-2-methylacyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:36807 -name: hydrochloride -is_a: CHEBI:36094 ! organic chloride salt +id: CHEBI:77558 +name: (2E,9Z,12Z)-octadecatrienoyl-CoA(4-) +is_a: CHEBI:139563 ! octadecatrienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:36810 -name: (trifluoromethyl)benzene -is_a: CHEBI:46695 ! fluorohydrocarbon -is_a: CHEBI:83565 ! (trifluoromethyl)benzenes -relationship: has_role CHEBI:46787 ! solvent -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:77559 +name: (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:36818 -name: seco-cholestane -is_a: CHEBI:35788 ! seco-steroid +id: CHEBI:77560 +name: 1,1'-dioleyl 2,2'-dilysocardiolipin +is_a: CHEBI:60431 ! 2,2'-dilysocardiolipin [Term] -id: CHEBI:36819 -name: seco-ergostane -is_a: CHEBI:35788 ! seco-steroid +id: CHEBI:77561 +name: trioleoyl 2-monolysocardiolipin +is_a: CHEBI:60430 ! 2-monolysocardiolipin [Term] -id: CHEBI:36820 -name: ring assembly -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:77575 +name: alkyl,acyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:76530 ! sn-glycero-3-monophosphate(2-) [Term] -id: CHEBI:36823 -name: pseudohalo group -is_a: CHEBI:24433 ! group +id: CHEBI:77576 +name: monoalkyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:76530 ! sn-glycero-3-monophosphate(2-) +is_a: CHEBI:78169 ! monoalkylglycerophosphate(2-) [Term] -id: CHEBI:36828 -name: pseudohalide anion -is_a: CHEBI:36829 ! polyatomic monoanion +id: CHEBI:77578 +name: monoalkyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion +is_a: CHEBI:78204 ! monoalkylglycerophosphoethanolamine zwitterion [Term] -id: CHEBI:36829 -name: polyatomic monoanion -is_a: CHEBI:33273 ! polyatomic anion -is_a: CHEBI:36830 ! monoanion +id: CHEBI:77580 +name: 1-hexadecyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58014 ! 1-alkyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:36830 -name: monoanion -is_a: CHEBI:22563 ! anion +id: CHEBI:77583 +name: (2S)-2-acetamido-4-aminobutanoic acid +is_a: CHEBI:21545 ! N-acetyl-L-amino acid [Term] -id: CHEBI:36834 -name: 3-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:77587 +name: (2S)-2-acetamido-4-aminobutanoic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:36836 -name: 3beta-hydroxy steroid -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:36834 ! 3-hydroxy steroid +id: CHEBI:77589 +name: monoacyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:76530 ! sn-glycero-3-monophosphate(2-) [Term] -id: CHEBI:36838 -name: 17-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:77592 +name: monacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) +is_a: CHEBI:78210 ! monoacylglycero-3-phosphoglycerol(1-) [Term] -id: CHEBI:36841 -name: 11-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:77593 +name: 2-oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64982 ! 2-acyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:84973 ! oleoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:36853 -name: hydroxy seco-steroid -is_a: CHEBI:35350 ! hydroxy steroid -is_a: CHEBI:35788 ! seco-steroid +id: CHEBI:776 +name: 16alpha-hydroxyestrone +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:36856 -name: hydrogen isocyanide -is_a: CHEBI:33405 ! hydracid +id: CHEBI:77609 +name: monoalk-1-enyl-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:76530 ! sn-glycero-3-monophosphate(2-) [Term] -id: CHEBI:36857 -name: 2-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:77611 +name: monoalk-1-enyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77578 ! monoalkyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:36859 -name: 2beta-hydroxy steroid -is_a: CHEBI:36857 ! 2-hydroxy steroid +id: CHEBI:77612 +name: cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:35693 ! dicarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:36860 -name: 14-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:77617 +name: senecionine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36861 -name: 14alpha-hydroxy steroid -is_a: CHEBI:36860 ! 14-hydroxy steroid +id: CHEBI:77618 +name: norajmaline(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36863 -name: 22-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:77619 +name: 1,3-dipalmitoylglycerol +is_a: CHEBI:15756 ! hexadecanoic acid +is_a: CHEBI:47777 ! 1,3-diglyceride [Term] -id: CHEBI:36864 -name: 25-hydroxy steroid -is_a: CHEBI:35350 ! hydroxy steroid +id: CHEBI:77620 +name: 5-oxido-6-methylpyridinium-3,4-dicarboxylate +is_a: CHEBI:36173 ! pyridinedicarboxylate [Term] -id: CHEBI:36871 -name: inorganic radical -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:26519 ! radical +id: CHEBI:77621 +name: 2',3,4,4',6'-pentahydroxychalcone(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:36873 -name: radical anion -is_a: CHEBI:22563 ! anion -is_a: CHEBI:36875 ! radical ion +id: CHEBI:77622 +name: 2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:36875 -name: radical ion -is_a: CHEBI:24870 ! ion -is_a: CHEBI:26519 ! radical +id: CHEBI:77623 +name: 1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol [Term] -id: CHEBI:36876 -name: inorganic radical anion -is_a: CHEBI:36873 ! radical anion -is_a: CHEBI:36878 ! inorganic radical ion +id: CHEBI:77624 +name: 1-palmitoyl-3-stearoyl-sn-glycerol +is_a: CHEBI:47777 ! 1,3-diglyceride [Term] -id: CHEBI:36878 -name: inorganic radical ion -is_a: CHEBI:36871 ! inorganic radical -is_a: CHEBI:36875 ! radical ion +id: CHEBI:77630 +name: trans-2-pentadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:36883 -name: 6-oxo steroid -is_a: CHEBI:35789 ! oxo steroid +id: CHEBI:77631 +name: 1-piperideine-2-carboxylic acid zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:36885 -name: 20-oxo steroid -is_a: CHEBI:35789 ! oxo steroid +id: CHEBI:77632 +name: unsaturated fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:36887 -name: 18-oxo steroid -is_a: CHEBI:35789 ! oxo steroid +id: CHEBI:77633 +name: isonocardicin A(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:36892 -name: elemental fluorine -is_a: CHEBI:33434 ! elemental halogen +id: CHEBI:77634 +name: 2-aminomuconic 6-semialdehyde zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:36893 -name: elemental iodine -is_a: CHEBI:33434 ! elemental halogen +id: CHEBI:77636 +name: fatty acyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:36895 -name: monoatomic fluorine -is_a: CHEBI:36892 ! elemental fluorine +id: CHEBI:77638 +name: dihydrophloroglucinol(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:36897 -name: monoatomic iodine -is_a: CHEBI:36893 ! elemental iodine +id: CHEBI:77639 +name: sulochrin(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:36902 -name: chalcogen hydride -is_a: CHEBI:33242 ! inorganic hydride -is_a: CHEBI:33304 ! chalcogen molecular entity +id: CHEBI:77640 +name: apiin(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:36904 -name: elemental selenium -is_a: CHEBI:26628 ! selenium molecular entity +id: CHEBI:77641 +name: anthocyanidin 3,5-diglucoside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:36914 -name: inorganic ion -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:24870 ! ion +id: CHEBI:77642 +name: 2'-O-methyllicodione(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:36915 -name: inorganic cation -is_a: CHEBI:36914 ! inorganic ion -is_a: CHEBI:36916 ! cation +id: CHEBI:77643 +name: protoaphin aglucone(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:36916 -name: cation -is_a: CHEBI:24870 ! ion +id: CHEBI:77644 +name: 5-L-glutamyl amino acid(1-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:36919 -name: antimony molecular entity -is_a: CHEBI:33302 ! pnictogen molecular entity -relationship: has_part CHEBI:30513 ! antimony atom +id: CHEBI:77645 +name: 2',4,4',6'-tetrahydroxychalcone(1-) +is_a: CHEBI:134371 ! 2-acyl-4-prenylphloroglucinol(1-) +is_a: CHEBI:15413 ! 2',4,4',6'-tetrahydroxychalcone +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:50857 ! anti-allergic agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent [Term] -id: CHEBI:36920 -name: antimony oxoacid -is_a: CHEBI:33408 ! pnictogen oxoacid -is_a: CHEBI:50007 ! antimony coordination entity +id: CHEBI:77646 +name: 2-oleoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:37646 ! 2-acyl-sn-glycero-3-phosphoserine [Term] -id: CHEBI:36921 -name: antimony oxoanion -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:33459 ! pnictogen oxoanion -is_a: CHEBI:50007 ! antimony coordination entity +id: CHEBI:77647 +name: 2,3',4,6-tetrahydroxybenzophenone(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:36926 -name: but-2-enoyl-CoA -is_a: CHEBI:22961 ! butenoyl-CoA +id: CHEBI:77648 +name: novapikromycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:36942 -name: pterin phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:26375 ! pterins -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:77652 +name: novamethymycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:36946 -name: thiourea -is_a: CHEBI:47857 ! ureas -is_a: CHEBI:51276 ! thioureas -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:23240 ! chromophore +id: CHEBI:77653 +name: (3R)-3-carboxy-3-hydroxypropanoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA [Term] -id: CHEBI:36952 -name: carboxyalkyl phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:77654 +name: EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor +is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] -id: CHEBI:36958 -name: carbonothioic O,O-acid -is_a: CHEBI:36960 ! carbonothioic acid -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:77656 +name: 4-oxoproline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:36959 -name: carbonothioic O,S-acid -is_a: CHEBI:36960 ! carbonothioic acid -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:77657 +name: 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:36960 -name: carbonothioic acid -is_a: CHEBI:35605 ! carbon oxoacid -is_a: CHEBI:36961 ! chalcocarbonic acid +id: CHEBI:77658 +name: nocardicin A(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:36961 -name: chalcocarbonic acid -is_a: CHEBI:36962 ! organochalcogen compound +id: CHEBI:77659 +name: emodin(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor +relationship: has_role CHEBI:50503 ! laxative +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:77660 +name: pyrroloquinoline quinol(4-) +is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] -id: CHEBI:36962 -name: organochalcogen compound -is_a: CHEBI:33285 ! heteroorganic entity -is_a: CHEBI:33304 ! chalcogen molecular entity +id: CHEBI:77662 +name: L-3-oxoalanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:36963 -name: organooxygen compound -is_a: CHEBI:25806 ! oxygen molecular entity -is_a: CHEBI:36962 ! organochalcogen compound +id: CHEBI:77663 +name: pulcherriminate(2-) +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:36970 -name: vitamin B6 phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:27306 ! vitamin B6 -is_a: CHEBI:37734 ! phosphoric ester -relationship: has_role CHEBI:23357 ! cofactor +id: CHEBI:77667 +name: 2,4-divinyl protochlorophyllide a(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:36976 -name: nucleotide -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:77670 +name: primary fluorescent chlorophyll catabolite(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:36979 -name: N-glycosylpyridine -is_a: CHEBI:21731 ! N-glycosyl compound -is_a: CHEBI:26421 ! pyridines +id: CHEBI:77671 +name: luteolin 7-O-beta-D-glucosiduronate(2-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:36980 -name: pyridine nucleotide -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:77672 +name: N-acyl-D-phenylalanine +is_a: CHEBI:15778 ! N-acyl-D-amino acid [Term] -id: CHEBI:36981 -name: flavin nucleotide -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:77673 +name: N-acyl-L-phenylalanine +is_a: CHEBI:21644 ! N-acyl-L-amino acid +is_a: CHEBI:84144 ! L-phenylalanine derivative [Term] -id: CHEBI:36982 -name: cyclic purine nucleotide -is_a: CHEBI:23447 ! cyclic nucleotide -is_a: CHEBI:26395 ! purine nucleotide +id: CHEBI:77674 +name: queuine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:36986 -name: mesaconate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77676 +name: 1-palmityl-2-acetyl-3-linoleoyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol [Term] -id: CHEBI:36987 -name: 3'-deoxyribonucleoside -is_a: CHEBI:23636 ! deoxyribonucleoside -is_a: CHEBI:47018 ! monohydroxytetrahydrofuran +id: CHEBI:77677 +name: 1-palmityl-2-acetyl-3-stearoyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol [Term] -id: CHEBI:36993 -name: purine 2'-deoxyribonucleoside 5'-monophosphate -is_a: CHEBI:18241 ! 2'-deoxyribonucleoside 5'-monophosphate -is_a: CHEBI:26388 ! purine 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide +id: CHEBI:77678 +name: 1-palmityl-2-acetyl-3-myristoyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:36995 -name: pyrimidine 2'-deoxyribonucleoside 5'-monophosphate -is_a: CHEBI:18241 ! 2'-deoxyribonucleoside 5'-monophosphate -is_a: CHEBI:26434 ! pyrimidine 2'-deoxyribonucleoside monophosphate -is_a: CHEBI:26436 ! pyrimidine 2'-deoxyribonucleotide +id: CHEBI:77679 +name: 1-hexadecyl-2-acetyl-3-decanoyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:37007 -name: nicotinamide dinucleotide -is_a: CHEBI:25527 ! nicotinamide nucleotide -is_a: CHEBI:47885 ! dinucleotide +id: CHEBI:77680 +name: 1-palmityl-2-acetyl-3-palmitoyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol [Term] -id: CHEBI:37010 -name: ribonucleoside 5'-monophosphate -is_a: CHEBI:26558 ! ribonucleoside monophosphate -is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate +id: CHEBI:77681 +name: 1-palmityl-2-acetyl-3-lauroyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:37015 -name: ribonucleoside 5'-phosphate -is_a: CHEBI:16701 ! nucleoside 5'-phosphate -is_a: CHEBI:26561 ! ribonucleotide +id: CHEBI:77682 +name: 1-palmityl-2-acetyl-3-capryloyl-sn-glycerol +is_a: CHEBI:17473 ! 1-alkyl-2-acetyl-3-acyl-sn-glycerol +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:37016 -name: 2'-deoxyribonucleoside 5'-phosphate -is_a: CHEBI:16701 ! nucleoside 5'-phosphate -is_a: CHEBI:19260 ! 2'-deoxyribonucleotide +id: CHEBI:77683 +name: 1,2-dioleoyl-3-linoleoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:37021 -name: purine ribonucleoside 5'-monophosphate -is_a: CHEBI:26397 ! purine ribonucleoside monophosphate -is_a: CHEBI:26400 ! purine ribonucleotide -is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate +id: CHEBI:77684 +name: 1,2-dioleoyl-3-myristoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:37022 -name: amino-acid anion -is_a: CHEBI:29067 ! carboxylic acid anion -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:77685 +name: 1,2-dioleoyl-3-lauroyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:37024 -name: 2-aminoadipic acid -is_a: CHEBI:36164 ! amino dicarboxylic acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:75768 ! mammalian metabolite -relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite +id: CHEBI:77686 +name: 1,2-dioleoyl-3-stearoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol [Term] -id: CHEBI:37034 -name: O-acetyl-D-homoserine -is_a: CHEBI:7671 ! O-acetylhomoserine +id: CHEBI:77687 +name: 2'-hydroxyformononetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37036 -name: purine 2'-deoxyribonucleoside 5'-diphosphate -is_a: CHEBI:16350 ! 2'-deoxyribonucleoside 5'-diphosphate -is_a: CHEBI:26387 ! purine 2'-deoxyribonucleoside diphosphate -is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide +id: CHEBI:77688 +name: formononetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37037 -name: pyrimidine 2'-deoxyribonucleoside 5'-diphosphate -is_a: CHEBI:16350 ! 2'-deoxyribonucleoside 5'-diphosphate -is_a: CHEBI:26433 ! pyrimidine 2'-deoxyribonucleoside diphosphate -is_a: CHEBI:26436 ! pyrimidine 2'-deoxyribonucleotide +id: CHEBI:77689 +name: L-mimosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:37038 -name: purine ribonucleoside 5'-diphosphate -is_a: CHEBI:26396 ! purine ribonucleoside diphosphate -is_a: CHEBI:26400 ! purine ribonucleotide -is_a: CHEBI:37075 ! ribonucleoside 5'-diphosphate +id: CHEBI:77694 +name: 1-arachidonoyl-2-palmitoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:140161 ! phosphatidylcholine (20:4/16:0) +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37039 -name: pyrimidine ribonucleoside 5'-diphosphate -is_a: CHEBI:26442 ! pyrimidine ribonucleoside diphosphate -is_a: CHEBI:26446 ! pyrimidine ribonucleotide -is_a: CHEBI:37075 ! ribonucleoside 5'-diphosphate +id: CHEBI:77695 +name: 1-arachidonyl-2-palmityl-sn-glycero-3-phosphocholine +is_a: CHEBI:15843 ! arachidonic acid +is_a: CHEBI:65215 ! 1-acyl-2-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37042 -name: purine 2'-deoxyribonucleoside 5'-triphosphate -is_a: CHEBI:16381 ! 2'-deoxyribonucleoside 5'-triphosphate -is_a: CHEBI:26389 ! purine deoxyribonucleoside triphosphate -is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide +id: CHEBI:77696 +name: 2-hexadecyl-sn-glycero-3-phosphocholine +is_a: CHEBI:72805 ! 2-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37043 -name: pyrimidine 2'-deoxyribonucleoside 5'-triphosphate -is_a: CHEBI:16381 ! 2'-deoxyribonucleoside 5'-triphosphate -is_a: CHEBI:26435 ! pyrimidine deoxyribonucleoside triphosphate -is_a: CHEBI:26436 ! pyrimidine 2'-deoxyribonucleotide +id: CHEBI:77699 +name: methyl formate +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:52343 ! formate ester +relationship: has_role CHEBI:24852 ! insecticide +relationship: has_role CHEBI:39276 ! fumigant +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:78433 ! refrigerant [Term] -id: CHEBI:37044 -name: pyrimidine ribonucleoside 5'-triphosphate -is_a: CHEBI:26444 ! pyrimidine ribonucleoside triphosphate -is_a: CHEBI:26446 ! pyrimidine ribonucleotide -is_a: CHEBI:37076 ! ribonucleoside 5'-triphosphate +id: CHEBI:77700 +name: methyl acetate +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:48358 ! polar aprotic solvent +relationship: has_role CHEBI:77706 ! EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor [Term] -id: CHEBI:37045 -name: purine ribonucleoside 5'-triphosphate -is_a: CHEBI:26398 ! purine ribonucleoside triphosphate -is_a: CHEBI:26400 ! purine ribonucleotide -is_a: CHEBI:37076 ! ribonucleoside 5'-triphosphate +id: CHEBI:77703 +name: EC 4.3.1.3 (histidine ammonia-lyase) inhibitor +is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] -id: CHEBI:37054 -name: 3-hydroxybutyrate -is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77705 +name: EC 3.4.19.* (omega-peptidase) inhibitor +is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] -id: CHEBI:37070 -name: 2-methylbutyric acid -is_a: CHEBI:38653 ! methylbutyric acid -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77706 +name: EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor +is_a: CHEBI:77705 ! EC 3.4.19.* (omega-peptidase) inhibitor [Term] -id: CHEBI:37075 -name: ribonucleoside 5'-diphosphate -is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate +id: CHEBI:77709 +name: alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine(1-) +is_a: CHEBI:82639 ! alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) [Term] -id: CHEBI:37076 -name: ribonucleoside 5'-triphosphate -is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate +id: CHEBI:77710 +name: 3',4',5-trihydroxy-3,7-dimethoxyflavone(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37080 -name: acrylate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77711 +name: licodione(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37089 -name: ortho-fused tricyclic hydrocarbon -is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon -is_a: CHEBI:51119 ! tricyclic hydrocarbon +id: CHEBI:77712 +name: xanthoaphin(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37092 -name: 2'-deoxycytidine phosphate -is_a: CHEBI:23621 ! deoxycytidine phosphate +id: CHEBI:77715 +name: nasal decongestant +is_a: CHEBI:23888 ! drug [Term] -id: CHEBI:37096 -name: adenosine 5'-phosphate -is_a: CHEBI:22256 ! adenosine phosphate -is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +id: CHEBI:77717 +name: 2,2'-lysobisphosphatidate +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:37102 -name: nucleoside pentaphosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:77718 +name: carboxamidinium ion +is_a: CHEBI:35286 ! iminium ion [Term] -id: CHEBI:37121 -name: guanosine 5'-phosphate -is_a: CHEBI:24455 ! guanosine phosphate +id: CHEBI:77720 +name: 1,1'-lysobisphosphatidate +is_a: CHEBI:83236 ! 2-acylglycerophospho-(2'-acylglycerol)(1-) [Term] -id: CHEBI:37123 -name: nucleoside bisphosphate -is_a: CHEBI:25608 ! nucleoside phosphate +id: CHEBI:77722 +name: apigenin 7-O-beta-D-glucoside(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug [Term] -id: CHEBI:37124 -name: guanosine bisphosphate -is_a: CHEBI:24455 ! guanosine phosphate -is_a: CHEBI:61079 ! ribonucleoside bisphosphate -is_a: CHEBI:64620 ! purine ribonucleoside bisphosphate +id: CHEBI:77724 +name: 1-decanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:37127 -name: 3-methylbut-2-enoic acid -is_a: CHEBI:25413 ! monounsaturated fatty acid -is_a: CHEBI:26666 ! short-chain fatty acid -is_a: CHEBI:62499 ! methyl-branched fatty acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77725 +name: 17-O-acetylnorajmaline(1+) +is_a: CHEBI:60521 ! indole alkaloid cation [Term] -id: CHEBI:37128 -name: caesium molecular entity -is_a: CHEBI:33296 ! alkali metal molecular entity -relationship: has_part CHEBI:30514 ! caesium atom +id: CHEBI:77726 +name: 1-decanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:37141 -name: organobromine compound -is_a: CHEBI:22928 ! bromine molecular entity -is_a: CHEBI:36684 ! organohalogen compound +id: CHEBI:77727 +name: delta-lactam +is_a: CHEBI:24995 ! lactam [Term] -id: CHEBI:37142 -name: organoiodine compound -is_a: CHEBI:24860 ! iodine molecular entity -is_a: CHEBI:36684 ! organohalogen compound +id: CHEBI:77728 +name: bergaptol(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37143 -name: organofluorine compound -is_a: CHEBI:24062 ! fluorine molecular entity -is_a: CHEBI:36684 ! organohalogen compound +id: CHEBI:77740 +name: adenosine 2'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:37146 -name: molybdopterin dinucleotide -is_a: CHEBI:47885 ! dinucleotide +id: CHEBI:77746 +name: human metabolite +is_a: CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:37147 -name: dibromobenzene -is_a: CHEBI:37149 ! bromobenzenes +id: CHEBI:77749 +name: 1-palmitoyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:37149 -name: bromobenzenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:37141 ! organobromine compound +id: CHEBI:7775 +name: ononin +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:140301 ! 7-hydroxyisoflavones 7-O-beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:37151 -name: 1,3-dibromobenzene -is_a: CHEBI:37147 ! dibromobenzene +id: CHEBI:77753 +name: 1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37153 -name: EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor -is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor +id: CHEBI:77754 +name: 9-hydroperoxy-10E-octadecenoate +is_a: CHEBI:133557 ! hydroperoxyoctadecenoate [Term] -id: CHEBI:37154 -name: fumarate(1-) -is_a: CHEBI:37155 ! hydrogen butenedioate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:77755 +name: 10-hydroperoxy-8E-octadecenoate +is_a: CHEBI:133557 ! hydroperoxyoctadecenoate +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion [Term] -id: CHEBI:37155 -name: hydrogen butenedioate -is_a: CHEBI:35695 ! dicarboxylic acid monoanion +id: CHEBI:77756 +name: 2-O-glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:37156 -name: maleate(1-) -is_a: CHEBI:132951 ! maleate -is_a: CHEBI:37155 ! hydrogen butenedioate +id: CHEBI:77764 +name: daidzein(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:131699 ! EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76989 ! phytoestrogen [Term] -id: CHEBI:37158 -name: bromocarboxylic acid -is_a: CHEBI:37141 ! organobromine compound +id: CHEBI:77765 +name: 2,4,6-trihydroxybenzophenone(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37163 -name: glucan -is_a: CHEBI:37164 ! homopolysaccharide +id: CHEBI:77766 +name: cytidine 2'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:37164 -name: homopolysaccharide -is_a: CHEBI:18154 ! polysaccharide +id: CHEBI:77767 +name: 3,6-dichlorocatechol(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37165 -name: galactan -is_a: CHEBI:37164 ! homopolysaccharide -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:77769 +name: 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37166 -name: xylan -is_a: CHEBI:37164 ! homopolysaccharide +id: CHEBI:77770 +name: 3',5-dihydroxy-3,4',7-trimethoxyflavone(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37175 -name: organic hydride -is_a: CHEBI:33692 ! hydrides +id: CHEBI:77771 +name: cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37176 -name: mononuclear parent hydride -is_a: CHEBI:33692 ! hydrides +id: CHEBI:77786 +name: 1-hexadecyl-2-ammonio-2-deoxy-sn-glycerol +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:37190 -name: silicon coordination entity -is_a: CHEBI:26677 ! silicon molecular entity -is_a: CHEBI:36562 ! main-group coordination entity +id: CHEBI:77787 +name: 1-O-palmityl-2-desoxy-2-amino-sn-glycero-3-phosphate(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:37191 -name: silicon oxoanion -is_a: CHEBI:24834 ! inorganic anion -is_a: CHEBI:35406 ! oxoanion -is_a: CHEBI:37190 ! silicon coordination entity +id: CHEBI:77791 +name: luteolin 7-O-beta-D-glucoside(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37193 -name: elemental lead -is_a: CHEBI:33585 ! lead molecular entity +id: CHEBI:77798 +name: melamine(1+) +is_a: CHEBI:25697 ! organic cation +relationship: has_role CHEBI:76206 ! xenobiotic metabolite [Term] -id: CHEBI:37196 -name: bismuth molecular entity -is_a: CHEBI:33302 ! pnictogen molecular entity -relationship: has_part CHEBI:33301 ! bismuth atom +id: CHEBI:77800 +name: 2'-hydroxydaidzein(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:67079 ! anti-inflammatory agent [Term] -id: CHEBI:37206 -name: hexol -is_a: CHEBI:26191 ! polyol +id: CHEBI:77802 +name: uridine 2'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:37237 -name: elemental molybdenum -is_a: CHEBI:25370 ! molybdenum molecular entity +id: CHEBI:77803 +name: 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion [Term] -id: CHEBI:37239 -name: molybdenum cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:37237 ! elemental molybdenum +id: CHEBI:77804 +name: biochanin A 7-O-beta-D-glucoside(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37240 -name: adenosine 3',5'-bisphosphate -is_a: CHEBI:22251 ! adenosine bisphosphate +id: CHEBI:77805 +name: enterobactin(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:26672 ! siderophore +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:37246 -name: elemental sodium -is_a: CHEBI:26712 ! sodium molecular entity +id: CHEBI:77810 +name: 2-16:1-lysophosphatidate(2-) +is_a: CHEBI:64982 ! 2-acyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:37247 -name: elemental potassium -is_a: CHEBI:26217 ! potassium molecular entity +id: CHEBI:77811 +name: 1-acyl-2-hexadecenoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:37253 -name: elemental zinc -is_a: CHEBI:27364 ! zinc molecular entity +id: CHEBI:77812 +name: 9-oxononanoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:71944 ! aldehydic acid anion +is_a: CHEBI:76309 ! omega-oxo fatty acid anion +relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor [Term] -id: CHEBI:37257 -name: phytanate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion -is_a: CHEBI:83972 ! 3-methyl fatty acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77824 +name: cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside(2-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:37293 -name: 1-ribosylimidazole -is_a: CHEBI:48117 ! 1-glycosylimidazole +id: CHEBI:77825 +name: luteolin 7-O-[(beta-D-glucosyluronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate(4-) +is_a: CHEBI:35753 ! tricarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:37323 -name: 7,8-dimethylisoalloxazine -is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione +id: CHEBI:77826 +name: mugineate(1-) +is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] -id: CHEBI:37324 -name: 7,8-dimethylbenzo[g]pteridine-2,4-dione -is_a: CHEBI:38925 ! benzopteridine +id: CHEBI:77827 +name: 2-arylethylammomium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:37325 -name: alloxazine -is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione +id: CHEBI:77828 +name: guanosine 3',5'-bis(diphosphate)(5-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:37326 -name: benzo[g]pteridine-2,4-dione -is_a: CHEBI:38925 ! benzopteridine +id: CHEBI:77830 +name: 2-arachidonoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:65214 ! 2-acyl-sn-glycero-3-phosphoserine(1-) [Term] -id: CHEBI:37327 -name: isoalloxazine -is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione +id: CHEBI:77831 +name: 1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37328 -name: phosphatidylinositol bisphosphate -is_a: CHEBI:28765 ! phosphatidylinositol phosphate +id: CHEBI:77832 +name: 1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37329 -name: phosphatidylinositol 5-phosphate -is_a: CHEBI:26036 ! phosphatidylinositol monophosphate +id: CHEBI:77833 +name: 1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37332 -name: tropane alkaloid -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:38295 ! azabicycloalkane +id: CHEBI:77836 +name: N-[omega-(acylyloxy)]acylsphin-4-enine +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:37334 -name: diagnostic imaging agent -is_a: CHEBI:33295 ! diagnostic agent +id: CHEBI:77838 +name: delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37335 -name: MRI contrast agent -is_a: CHEBI:37334 ! diagnostic imaging agent +id: CHEBI:77840 +name: 3,8'-biflaviolin 2,7,2'-triolate +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37395 -name: mucopolysaccharide -is_a: CHEBI:18085 ! glycosaminoglycan +id: CHEBI:77842 +name: stipitatate(1-) +is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:37396 -name: proteoglycan -is_a: CHEBI:17089 ! glycoprotein -is_a: CHEBI:65212 ! polysaccharide derivative +id: CHEBI:77843 +name: thymidine 3'-monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:37397 -name: chondroitin sulfate -is_a: CHEBI:35722 ! sulfated glycosaminoglycan -is_a: CHEBI:37395 ! mucopolysaccharide +id: CHEBI:77844 +name: delphinidin 3,3',5-tri-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37404 -name: elemental copper -is_a: CHEBI:23377 ! copper molecular entity +id: CHEBI:77846 +name: dehydroglycine zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:37407 -name: cyclic ether -is_a: CHEBI:25698 ! ether -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:77847 +name: glycerol 1-phosphodiester(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:37409 -name: crown compound -is_a: CHEBI:24532 ! organic heterocyclic compound +id: CHEBI:77848 +name: 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion +is_a: CHEBI:76042 ! aromatic amino-acid zwitterion [Term] -id: CHEBI:37424 -name: sterol 3-beta-D-glucoside -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:61655 ! steroid saponin +id: CHEBI:77851 +name: (2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2-) +is_a: CHEBI:33558 ! alpha-amino-acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:37425 -name: L-galactonic acid -is_a: CHEBI:24149 ! galactonic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:77852 +name: 9(S)-HODE(1-) +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:131861 ! HODE(1-) +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37440 -name: 3-oxoadipic acid -is_a: CHEBI:36145 ! oxo dicarboxylic acid -relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77853 +name: persistent organic pollutant +is_a: CHEBI:78298 ! environmental contaminant [Term] -id: CHEBI:37445 -name: folic acids -is_a: CHEBI:26375 ! pterins -is_a: CHEBI:83982 ! L-glutamic acid derivative +id: CHEBI:77857 +name: cyanidin 3-O-beta-D-glucoside(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:37449 -name: 2-deoxy-alpha-D-glucoside -is_a: CHEBI:19555 ! 2-deoxy-D-glucoside +id: CHEBI:77858 +name: 4-hydroxycoumarin(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:37453 -name: phenanthrenediol -is_a: CHEBI:25961 ! phenanthrenes +id: CHEBI:77859 +name: 2-ammoniomuconate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:37469 -name: 9,10-dihydrophenanthrene-9,10-diol -is_a: CHEBI:23738 ! dihydrophenanthrenediol +id: CHEBI:77860 +name: 3-cyano-L-alanine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:37470 -name: trans-9,10-dihydrophenanthrene-9,10-diol -is_a: CHEBI:37469 ! 9,10-dihydrophenanthrene-9,10-diol +id: CHEBI:77862 +name: gossypetin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion + +[Term] +id: CHEBI:77869 +name: (E,E)-sorbate +is_a: CHEBI:36550 ! sorbate [Term] -id: CHEBI:37481 -name: amidoalkyl phosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:77870 +name: precorrin-3B(6-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:37485 -name: hydroxyanthraquinones -is_a: CHEBI:22580 ! anthraquinone -is_a: CHEBI:33853 ! phenols +id: CHEBI:77871 +name: precorrin-5(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:37488 -name: trihydroxyanthraquinone -is_a: CHEBI:37485 ! hydroxyanthraquinones +id: CHEBI:77872 +name: precorrin-6A(7-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:37496 -name: tetrahydroxyanthraquinone -is_a: CHEBI:37485 ! hydroxyanthraquinones +id: CHEBI:77873 +name: hydrogenobyrinate(4-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:37511 -name: thiophosphate -is_a: CHEBI:26020 ! phosphate +id: CHEBI:77874 +name: hydrogenobyrinic acid a,c-diamide(2-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion [Term] -id: CHEBI:37512 -name: organic thiophosphate -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:25716 ! organothiophosphorus compound -is_a: CHEBI:37511 ! thiophosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:77875 +name: iminoaspartate(1-) +is_a: CHEBI:35695 ! dicarboxylic acid monoanion [Term] -id: CHEBI:37526 -name: tigliane -is_a: CHEBI:35190 ! diterpene -is_a: CHEBI:35662 ! terpenoid fundamental parent +id: CHEBI:77876 +name: biochanin A 7-O-beta-D-glucoside 6''-O-malonate(2-) +is_a: CHEBI:35973 ! 3-oxo monocarboxylic acid anion +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37527 -name: acid -is_a: CHEBI:51086 ! chemical role +id: CHEBI:77877 +name: 3,3'-biflaviolin(3-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37528 -name: sn-glycerol 1-phosphates -is_a: CHEBI:26707 ! glycerol phosphate +id: CHEBI:77881 +name: EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor +is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] -id: CHEBI:37530 -name: phosphatidylinositol 4-phosphate -is_a: CHEBI:26036 ! phosphatidylinositol monophosphate +id: CHEBI:77885 +name: nocardicin E(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] -id: CHEBI:37531 -name: polyprenol diphosphate -is_a: CHEBI:16460 ! polyprenol phosphate +id: CHEBI:77886 +name: demethylsulochrin(2-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37532 -name: phorbol ester -is_a: CHEBI:23849 ! diterpenoid -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:52557 ! tetracyclic diterpenoid +id: CHEBI:77887 +name: delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside(2-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:37533 -name: azo compound -is_a: CHEBI:51143 ! nitrogen molecular entity -relationship: has_part CHEBI:30106 ! azo group +id: CHEBI:77888 +name: N-[omega-(linoleoyloxy)]acylsphin-4-enine +is_a: CHEBI:77836 ! N-[omega-(acylyloxy)]acylsphin-4-enine [Term] -id: CHEBI:37537 -name: phorbol 13-acetate 12-myristate -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:37532 ! phorbol ester -is_a: CHEBI:47622 ! acetate ester -is_a: CHEBI:51307 ! diester -is_a: CHEBI:87691 ! tetradecanoate ester -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:64018 ! protein kinase C agonist +id: CHEBI:77889 +name: N-[omega-(9R)-hydroperoxy(10E,12Z)-octadecadienoyloxy]acylsphin-4-enine +is_a: CHEBI:77836 ! N-[omega-(acylyloxy)]acylsphin-4-enine [Term] -id: CHEBI:37545 -name: altrarate(2-) -is_a: CHEBI:48916 ! altraric acid anion +id: CHEBI:77890 +name: 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:68495 ! apoptosis inducer [Term] -id: CHEBI:37546 -name: D-altrarate(2-) -is_a: CHEBI:37545 ! altrarate(2-) +id: CHEBI:77891 +name: N-[omega-(9R,10R)-epoxy-(13R)-hydroxy-(11E)-octadecenoyloxy]sphing-4-enine +is_a: CHEBI:77836 ! N-[omega-(acylyloxy)]acylsphin-4-enine [Term] -id: CHEBI:37547 -name: L-altrarate(2-) -is_a: CHEBI:37545 ! altrarate(2-) +id: CHEBI:77893 +name: 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:37550 -name: sphingosine 1-phosphate -is_a: CHEBI:77068 ! sphingoid 1-phosphate -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:63114 ! sphingosine-1-phosphate receptor agonist -relationship: has_role CHEBI:63173 ! T-cell proliferation inhibitor -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:77894 +name: aci-nitroethane +is_a: CHEBI:136622 ! aci-nitro compound [Term] -id: CHEBI:37554 -name: fatty acyl-CoA -is_a: CHEBI:17984 ! acyl-CoA -is_a: CHEBI:61697 ! fatty acid derivative +id: CHEBI:77895 +name: 9(R)-HODE(1-) +is_a: CHEBI:131860 ! octadecanoid anion +is_a: CHEBI:131861 ! HODE(1-) +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37555 -name: omega-carboxyacyl-CoA -is_a: CHEBI:17984 ! acyl-CoA +id: CHEBI:77896 +name: 8-oxo-dGTP(4-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion [Term] -id: CHEBI:37563 -name: CTP(4-) -is_a: CHEBI:61557 ! nucleoside triphosphate(4-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77897 +name: 2-hydroxy-dATP(4-) +is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion [Term] -id: CHEBI:37565 -name: GTP(4-) -is_a: CHEBI:61557 ! nucleoside triphosphate(4-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77899 +name: (S)-averantin(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:37568 -name: dTTP(4-) -is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:77900 +name: (1'S,5'S)-5'-hydroxyaverantin(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:37569 -name: (+)-abscisate -is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid -is_a: CHEBI:62071 ! 2-cis-abscisate +id: CHEBI:77901 +name: anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] 5-O-beta-D-glucoside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37576 -name: gallate ester -is_a: CHEBI:22707 ! benzenetriol -is_a: CHEBI:36054 ! benzoate ester +id: CHEBI:77904 +name: norsolorinic acid anthrone(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37577 -name: heteroatomic molecular entity -is_a: CHEBI:36357 ! polyatomic entity +id: CHEBI:77906 +name: minocycline zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:37578 -name: halide -is_a: CHEBI:24471 ! halogen molecular entity -is_a: CHEBI:37577 ! heteroatomic molecular entity +id: CHEBI:77907 +name: hydroxyversicolorone(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:37581 -name: gamma-lactone -is_a: CHEBI:25000 ! lactone +id: CHEBI:77913 +name: 9(R)-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion [Term] -id: CHEBI:37584 -name: nicotinic acid dinucleotide -is_a: CHEBI:25534 ! nicotinic acid nucleotide -is_a: CHEBI:47885 ! dinucleotide +id: CHEBI:77914 +name: 3-methylbut-1-ene +is_a: CHEBI:32878 ! alkene [Term] -id: CHEBI:37586 -name: sodium phosphate -is_a: CHEBI:24838 ! inorganic phosphate -is_a: CHEBI:26714 ! sodium salt +id: CHEBI:77919 +name: (7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:37588 -name: phosphonic acid derivative -is_a: CHEBI:36359 ! phosphorus oxoacid derivative +id: CHEBI:77922 +name: isopentenol +is_a: CHEBI:33823 ! enol [Term] -id: CHEBI:37592 -name: organic phosphonate -is_a: CHEBI:25710 ! organophosphorus compound -is_a: CHEBI:26066 ! phosphonate +id: CHEBI:77927 +name: nonan-2-one +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:37598 -name: nitrogen mustard -is_a: CHEBI:35352 ! organonitrogen compound -relationship: has_role CHEBI:22333 ! alkylating agent +id: CHEBI:77931 +name: cyanidin 3-O-\{6-O-[6-O-(4-coumaroyl)-beta-D-glucosyl]-2-O-beta-D-xylosyl-beta-D-galactoside}(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37602 -name: allenes -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:77932 +name: tetracycline zwitterion +is_a: CHEBI:27369 ! zwitterion +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35820 ! antiprotozoal drug +relationship: has_role CHEBI:36047 ! antibacterial drug +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor [Term] -id: CHEBI:37604 -name: cis-octadec-9-ene -is_a: CHEBI:37605 ! octadec-9-ene +id: CHEBI:77933 +name: (S)-5'-oxoaverantin(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37605 -name: octadec-9-ene -is_a: CHEBI:37606 ! octadecene +id: CHEBI:77935 +name: cyanidin 3-O-beta-D-galactoside(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:78295 ! food component [Term] -id: CHEBI:37606 -name: octadecene -is_a: CHEBI:32878 ! alkene +id: CHEBI:77938 +name: barbiturate(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:37614 -name: alkenyl group -is_a: CHEBI:33248 ! hydrocarbyl group +id: CHEBI:77939 +name: oroxylin A(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor [Term] -id: CHEBI:37618 -name: L-galactose -is_a: CHEBI:28260 ! galactose +id: CHEBI:7794 +name: phosphate monoester +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37734 ! phosphoric ester [Term] -id: CHEBI:37619 -name: L-galactopyranose -is_a: CHEBI:37618 ! L-galactose -is_a: CHEBI:37621 ! galactopyranose +id: CHEBI:77941 +name: EC 3.5.1.4 (amidase) inhibitor +is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] -id: CHEBI:37620 -name: beta-L-galactose -is_a: CHEBI:37619 ! L-galactopyranose +id: CHEBI:77943 +name: anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37621 -name: galactopyranose -is_a: CHEBI:28260 ! galactose +id: CHEBI:77944 +name: anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37622 -name: carboxamide -is_a: CHEBI:33256 ! primary amide -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:36963 ! organooxygen compound -relationship: has_part CHEBI:23004 ! carbamoyl group +id: CHEBI:77945 +name: anthocyanidin 3-O-beta-D-sambubioside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37624 -name: L-glucose -is_a: CHEBI:17234 ! glucose +id: CHEBI:77946 +name: anthocyanidin 3-O-sophoroside betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:37627 -name: L-glucopyranose -is_a: CHEBI:37624 ! L-glucose -is_a: CHEBI:37661 ! glucopyranose +id: CHEBI:77947 +name: (S)-versiconol(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37631 -name: beta-L-glucose -is_a: CHEBI:37627 ! L-glucopyranose +id: CHEBI:77948 +name: isoliquiritigenin(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:3766 -name: clozapine -is_a: CHEBI:22720 ! benzodiazepine -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:46848 ! N-arylpiperazine -is_a: CHEBI:46920 ! N-methylpiperazine -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:37887 ! adrenergic antagonist -relationship: has_role CHEBI:37956 ! histamine antagonist -relationship: has_role CHEBI:48279 ! serotonergic antagonist -relationship: has_role CHEBI:48561 ! dopaminergic antagonist -relationship: has_role CHEBI:48876 ! muscarinic antagonist -relationship: has_role CHEBI:65191 ! second generation antipsychotic -relationship: has_role CHEBI:65259 ! GABA antagonist -relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:77950 +name: (2S-3S)-versiconal hemiacetal(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37661 -name: glucopyranose -is_a: CHEBI:17234 ! glucose +id: CHEBI:77951 +name: versicolorin B(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37667 -name: sesquiterpene lactone -is_a: CHEBI:26658 ! sesquiterpenoid -is_a: CHEBI:37668 ! terpene lactone +id: CHEBI:77956 +name: L-erythro-sphingosine(1+) +is_a: CHEBI:83876 ! cationic sphingoid [Term] -id: CHEBI:37668 -name: terpene lactone -is_a: CHEBI:25000 ! lactone -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:77961 +name: 1,2-dioctanoyl-sn-glycerol 3-diphosphate +is_a: CHEBI:59998 ! 1,2-diacyl-sn-glycerol 3-diphosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:37669 -name: methanopterins -is_a: CHEBI:26375 ! pterins -is_a: CHEBI:36942 ! pterin phosphate +id: CHEBI:77962 +name: food antioxidant +is_a: CHEBI:22586 ! antioxidant +is_a: CHEBI:65255 ! food preservative [Term] -id: CHEBI:37670 -name: protease inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:77964 +name: anticaking agent +is_a: CHEBI:33232 ! application [Term] -id: CHEBI:37671 -name: (1->3)-beta-D-glucan -is_a: CHEBI:28793 ! beta-D-glucan -is_a: CHEBI:72813 ! exopolysaccharide -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:77965 +name: food anticaking agent +is_a: CHEBI:64047 ! food additive +is_a: CHEBI:77964 ! anticaking agent [Term] -id: CHEBI:37673 -name: ajmalan -is_a: CHEBI:38482 ! indole alkaloid fundamental parent -is_a: CHEBI:38958 ! indole alkaloid +id: CHEBI:77966 +name: food stabiliser +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37684 -name: mannose -is_a: CHEBI:33917 ! aldohexose -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:77968 +name: humectant +is_a: CHEBI:33232 ! application [Term] -id: CHEBI:37690 -name: allose -is_a: CHEBI:33917 ! aldohexose -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:77969 +name: food humectant +is_a: CHEBI:64047 ! food additive +is_a: CHEBI:77968 ! humectant [Term] -id: CHEBI:37697 -name: indolocarbazole alkaloid -is_a: CHEBI:38958 ! indole alkaloid -is_a: CHEBI:51915 ! indolocarbazole +id: CHEBI:77970 +name: food thickening agent +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37699 -name: protein kinase inhibitor -is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor +id: CHEBI:77971 +name: raising agent +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37700 -name: EC 2.7.11.13 (protein kinase C) inhibitor -is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor +id: CHEBI:77974 +name: food packaging gas +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37721 -name: D-fructofuranose -is_a: CHEBI:15824 ! D-fructose -is_a: CHEBI:37722 ! fructofuranose +id: CHEBI:77975 +name: (2S,3S)-versiconal hemiacetal acetate(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37722 -name: fructofuranose -is_a: CHEBI:28757 ! fructose +id: CHEBI:77976 +name: versicolorin A(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37725 -name: L-fructofuranose -is_a: CHEBI:28120 ! L-fructose -is_a: CHEBI:37722 ! fructofuranose +id: CHEBI:77977 +name: noreugenin(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:37733 -name: EC 3.1.1.8 (cholinesterase) inhibitor -is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor +id: CHEBI:77978 +name: 2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37734 -name: phosphoric ester -is_a: CHEBI:26079 ! phosphoric acid derivative -is_a: CHEBI:35701 ! ester +id: CHEBI:77979 +name: aclacinomycin T zwitterion +is_a: CHEBI:27369 ! zwitterion +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:37739 -name: glycerophospholipid -is_a: CHEBI:16247 ! phospholipid -is_a: CHEBI:35741 ! glycerolipid +id: CHEBI:77980 +name: aclacinomycin A zwitterion +is_a: CHEBI:27369 ! zwitterion +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor +relationship: has_role CHEBI:68495 ! apoptosis inducer [Term] -id: CHEBI:37749 -name: halogen oxide -is_a: CHEBI:24471 ! halogen molecular entity -is_a: CHEBI:24836 ! inorganic oxide +id: CHEBI:77981 +name: vancomycin aglycone(1-) +is_a: CHEBI:50525 ! phenolate anion +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:37750 -name: chlorine oxide -is_a: CHEBI:37749 ! halogen oxide +id: CHEBI:77982 +name: tetracenomycin F2(2-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37763 -name: elemental silicon -is_a: CHEBI:26677 ! silicon molecular entity +id: CHEBI:77983 +name: 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate(13-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion [Term] -id: CHEBI:37773 -name: organic phosphoramidate -is_a: CHEBI:25703 ! organic phosphate +id: CHEBI:77984 +name: quercetin 3,3',7-trissulfate(4-) +is_a: CHEBI:139371 ! aryl sulfate oxoanion +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:37783 -name: organosulfinic acid -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:37784 ! sulfinic acid derivative -is_a: CHEBI:64709 ! organic acid +id: CHEBI:77985 +name: aclacinomycin Y zwitterion +is_a: CHEBI:27369 ! zwitterion +relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] -id: CHEBI:37784 -name: sulfinic acid derivative -is_a: CHEBI:33424 ! sulfur oxoacid derivative +id: CHEBI:77987 +name: aklanonate(2-) +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37785 -name: organosulfinate oxoanion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:77988 +name: methyl aklanonate(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37786 -name: acyclic phosphorus acid anhydride -is_a: CHEBI:36608 ! acyclic acid anhydride +id: CHEBI:77989 +name: luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)](3-) +is_a: CHEBI:60038 ! flavonoid oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:37787 -name: acyclic mixed acid anhydride -is_a: CHEBI:36608 ! acyclic acid anhydride +id: CHEBI:77990 +name: tetracenomycin D3(2-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37793 -name: amino sulfonic acid -is_a: CHEBI:33551 ! organosulfonic acid -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:77991 +name: aclacinomycin N zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:37794 -name: aminosulfinic acid -is_a: CHEBI:37783 ! organosulfinic acid +id: CHEBI:77992 +name: calycosin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:37806 -name: penicillanic acid -is_a: CHEBI:25865 ! penicillanic acids +id: CHEBI:77994 +name: aklaviketone(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:37808 -name: butane -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:78017 ! food propellant -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:77996 +name: N-oleoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:37826 -name: sulfuric acid derivative -is_a: CHEBI:33424 ! sulfur oxoacid derivative +id: CHEBI:77997 +name: 1(3)-O-alkylglycerol +is_a: CHEBI:52575 ! alkylglycerol +is_a: CHEBI:76575 ! monosubstituted glycerol [Term] -id: CHEBI:37827 -name: thiosulfuric acid derivative -is_a: CHEBI:33424 ! sulfur oxoacid derivative +id: CHEBI:77998 +name: 1(3)-O-(alk-1-enyl)-glycerol +is_a: CHEBI:24353 ! glycerol ether +is_a: CHEBI:35741 ! glycerolipid +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:76575 ! monosubstituted glycerol [Term] -id: CHEBI:37834 -name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene -is_a: CHEBI:37835 ! alkatetraene +id: CHEBI:77999 +name: 1(3)-O-(alk-1-enyl)-2-acylglycerol +is_a: CHEBI:76583 ! alk-1-enylacylglycerol [Term] -id: CHEBI:37835 -name: alkatetraene -is_a: CHEBI:33645 ! acyclic olefin +id: CHEBI:78001 +name: N-dodecanoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine [Term] -id: CHEBI:37838 -name: carboacyl group -is_a: CHEBI:22221 ! acyl group +id: CHEBI:78003 +name: food bleaching agent +is_a: CHEBI:132717 ! bleaching agent +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37841 -name: isoprenoid phosphate -is_a: CHEBI:16247 ! phospholipid +id: CHEBI:78004 +name: food bulking agent +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37845 -name: growth hormone -is_a: CHEBI:24621 ! hormone +id: CHEBI:78013 +name: linoleic acid hydroperoxide +is_a: CHEBI:36329 ! HPODE [Term] -id: CHEBI:37848 -name: plant hormone -is_a: CHEBI:24621 ! hormone -is_a: CHEBI:26155 ! plant growth regulator +id: CHEBI:78016 +name: food gelling agent +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37852 -name: organoammonium sulfate salt -is_a: CHEBI:46850 ! organoammonium salt -is_a: CHEBI:51337 ! organic sulfate salt +id: CHEBI:78017 +name: food propellant +is_a: CHEBI:64047 ! food additive +is_a: CHEBI:76414 ! propellant [Term] -id: CHEBI:37863 -name: chalcoperoxol -is_a: CHEBI:36962 ! organochalcogen compound +id: CHEBI:78022 +name: 1-stearoyl-2-(alpha-linolenoyl)-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37868 -name: octanol -is_a: CHEBI:24026 ! fatty alcohol +id: CHEBI:78033 +name: methyl arachidonate +is_a: CHEBI:4986 ! fatty acid methyl ester +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:37875 -name: acyl sulfate -is_a: CHEBI:25704 ! organic sulfate -is_a: CHEBI:37787 ! acyclic mixed acid anhydride +id: CHEBI:78034 +name: 12(R)-HPETE methyl ester +is_a: CHEBI:4986 ! fatty acid methyl ester +is_a: CHEBI:61051 ! lipid hydroperoxide [Term] -id: CHEBI:37886 -name: adrenergic agonist -is_a: CHEBI:37962 ! adrenergic agent +id: CHEBI:78035 +name: 12(S)-HPETE methyl ester +is_a: CHEBI:4986 ! fatty acid methyl ester +is_a: CHEBI:61051 ! lipid hydroperoxide [Term] -id: CHEBI:37887 -name: adrenergic antagonist -is_a: CHEBI:37962 ! adrenergic agent +id: CHEBI:78040 +name: 13(S)-HPODE methyl ester +is_a: CHEBI:4986 ! fatty acid methyl ester [Term] -id: CHEBI:37890 -name: alpha-adrenergic antagonist -is_a: CHEBI:37887 ! adrenergic antagonist -is_a: CHEBI:48539 ! alpha-adrenergic drug +id: CHEBI:78043 +name: (5Z,8Z,11Z)-icosatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37912 -name: hydroxycoumarin -is_a: CHEBI:23403 ! coumarins +id: CHEBI:78044 +name: 1-oleoyl-2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:78421 ! 1-oleoyl-2-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:37930 -name: phenothiazine antipsychotic drug -is_a: CHEBI:65190 ! first generation antipsychotic +id: CHEBI:78045 +name: 2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:16728 ! 2-acyl-sn-glycero-3-phosphocholine(1+) [Term] -id: CHEBI:37931 -name: 10H-phenothiazine -is_a: CHEBI:37932 ! phenothiazine -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78046 +name: 12(S)-HPE(5,8,10)TrE(1-) +is_a: CHEBI:131875 ! hydroperoxyicosatrienoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37932 -name: phenothiazine -is_a: CHEBI:36416 ! mancude organic heterotricyclic parent -is_a: CHEBI:38093 ! phenothiazines +id: CHEBI:78047 +name: 12(S)-HPE(8,10,14)TrE(1-) +is_a: CHEBI:83334 ! 12-HPE(8,10,14)TrE(1-) [Term] -id: CHEBI:37933 -name: 4aH-phenothiazine -is_a: CHEBI:37932 ! phenothiazine +id: CHEBI:78048 +name: 14(S)-HPDHE(1-) +is_a: CHEBI:83336 ! 14-HPDHE(1-) [Term] -id: CHEBI:37934 -name: 1H-phenothiazine -is_a: CHEBI:37932 ! phenothiazine +id: CHEBI:78049 +name: octadecenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:37935 -name: 3H-phenothiazine -is_a: CHEBI:37932 ! phenothiazine +id: CHEBI:78050 +name: octadecatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37941 -name: clopidogrel -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:37942 ! thienopyridine -is_a: CHEBI:83403 ! monochlorobenzenes -relationship: has_role CHEBI:50249 ! anticoagulant -relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor -relationship: has_role CHEBI:68563 ! P2Y12 receptor antagonist +id: CHEBI:78051 +name: hexacosapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37942 -name: thienopyridine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:78052 +name: tetracosapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37944 -name: polysaccharide sulfate -is_a: CHEBI:35724 ! carbohydrate sulfate -is_a: CHEBI:65212 ! polysaccharide derivative +id: CHEBI:78053 +name: docosapentaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37947 -name: benzothiazoles -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:78054 +name: hexacosatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37948 -name: oxaspiro compound -is_a: CHEBI:33599 ! spiro compound +id: CHEBI:78055 +name: hexacosenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:37949 -name: azacycloalkane -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78056 +name: tetracosahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37955 -name: H1-receptor antagonist -is_a: CHEBI:37956 ! histamine antagonist +id: CHEBI:78057 +name: hexacosahexaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37956 -name: histamine antagonist -is_a: CHEBI:37957 ! histaminergic drug -is_a: CHEBI:48706 ! antagonist +id: CHEBI:78059 +name: food additive carrier +is_a: CHEBI:64047 ! food additive [Term] -id: CHEBI:37957 -name: histaminergic drug -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:78060 +name: docosahexaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37958 -name: dye -is_a: CHEBI:33232 ! application +id: CHEBI:78061 +name: tetracosatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37962 -name: adrenergic agent -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:78062 +name: octacosatetraenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37963 -name: pyranone -is_a: CHEBI:26407 ! pyrans +id: CHEBI:78063 +name: octacosapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:37996 -name: organic thiosulfate -is_a: CHEBI:26977 ! thiosulfate +id: CHEBI:78068 +name: tetracosenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:37997 -name: homopolymer macromolecule -is_a: CHEBI:33839 ! macromolecule +id: CHEBI:78069 +name: docosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38001 -name: 2,6-diaminopurines -is_a: CHEBI:22527 ! aminopurine +id: CHEBI:78070 +name: 10(R)-HPO(6,8,12)TrE(1-) +is_a: CHEBI:83342 ! 10-HPO(6,8,12)TrE(1-) [Term] -id: CHEBI:38012 -name: aminoglycoside sulfate salt -is_a: CHEBI:37852 ! organoammonium sulfate salt +id: CHEBI:78072 +name: icosatrienoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38028 -name: cyanuric acid -is_a: CHEBI:26588 ! 1,3,5-triazines -is_a: CHEBI:74818 ! heteroaryl hydroxy compound -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:78073 +name: icosadienoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38029 -name: carbohydrate sulfonate -is_a: CHEBI:33551 ! organosulfonic acid -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:78075 +name: icosenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:38032 -name: carbotricyclic compound -is_a: CHEBI:35294 ! carbopolycyclic compound -is_a: CHEBI:51959 ! organic tricyclic compound +id: CHEBI:78076 +name: docosenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:38034 -name: aminonaphthalene -is_a: CHEBI:25477 ! naphthalenes -is_a: CHEBI:33860 ! aromatic amine +id: CHEBI:78078 +name: 12-HPEPE(1-) +is_a: CHEBI:131876 ! hydroperoxyicosapentaenoate +is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor [Term] -id: CHEBI:38038 -name: sulfuric amide -is_a: CHEBI:37826 ! sulfuric acid derivative +id: CHEBI:78079 +name: triacontatetraenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38060 -name: triazine insecticide -is_a: CHEBI:24852 ! insecticide +id: CHEBI:78080 +name: triacontahexaenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38068 -name: antimalarial -is_a: CHEBI:64915 ! antiplasmodial drug +id: CHEBI:78081 +name: dotriacontatetraenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38070 -name: anti-arrhythmia drug -is_a: CHEBI:35554 ! cardiovascular drug +id: CHEBI:78082 +name: dotriacontapentaenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38071 -name: 1,3,5-triazine-2,4-diamine -is_a: CHEBI:38170 ! diamino-1,3,5-triazine +id: CHEBI:78083 +name: dotriacontahexaenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38074 -name: 2-chloro-1,3,5-triazine -is_a: CHEBI:38168 ! chloro-1,3,5-triazine +id: CHEBI:78084 +name: hepoxilin B3(1-) +is_a: CHEBI:62938 ! hepoxilin anion [Term] -id: CHEBI:38077 -name: polypyrrole -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78085 +name: N-hexadecanoylphosphatidylethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:38093 -name: phenothiazines -is_a: CHEBI:26979 ! organic heterotricyclic compound +id: CHEBI:78086 +name: tetratriacontatetraenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38101 -name: organonitrogen heterocyclic compound -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:78087 +name: tetratriacontapentaenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38102 -name: triazines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:50893 ! azaarene +id: CHEBI:78088 +name: tetratriacontahexaenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38104 -name: oxacycle -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:78089 +name: hexatriacontatetraenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38106 -name: organosulfur heterocyclic compound -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:33261 ! organosulfur compound +id: CHEBI:78090 +name: 1,2-dipalmitoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:38108 -name: azetidine-2-carboxylic acid -is_a: CHEBI:33709 ! amino acid -is_a: CHEBI:46891 ! azetidinecarboxylic acid -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78091 +name: hexatriacontapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38109 -name: (R)-azetidine-2-carboxylic acid -is_a: CHEBI:38108 ! azetidine-2-carboxylic acid +id: CHEBI:78092 +name: hexatriacontahexaenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38111 -name: benzoindole -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78093 +name: octatriacontatetraenoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38113 -name: (R,R,R)-nicotianamine -is_a: CHEBI:25520 ! nicotianamine +id: CHEBI:78094 +name: octatriacontapentaenoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38124 -name: dialdehyde -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:78095 +name: hexadecenoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:38131 -name: lactol -is_a: CHEBI:5653 ! hemiacetal +id: CHEBI:78096 +name: hexadecadienoate +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:38147 -name: cardiotonic drug -is_a: CHEBI:35554 ! cardiovascular drug +id: CHEBI:78097 +name: N-palmitoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:38150 -name: enterobactin(6-) -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:26672 ! siderophore +id: CHEBI:78098 +name: 1-palmitylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38151 -name: ferrienterobactin -is_a: CHEBI:84734 ! Fe(III)-complexed siderophore +id: CHEBI:78099 +name: trioxilin B3(1-) +is_a: CHEBI:78415 ! trioxilin anion [Term] -id: CHEBI:38155 -name: phytosiderophore -is_a: CHEBI:24028 ! iron(3+) chelator -is_a: CHEBI:24874 ! iron ionophore +id: CHEBI:78100 +name: trioxilin A3(1-) +is_a: CHEBI:78415 ! trioxilin anion [Term] -id: CHEBI:38157 -name: iron chelator -is_a: CHEBI:38161 ! chelator +id: CHEBI:78101 +name: 1-tetradecyl-2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:38161 -name: chelator -is_a: CHEBI:52214 ! ligand +id: CHEBI:78102 +name: 1-tetradecyl-sn-glycero-3-phosphocholine +is_a: CHEBI:30909 ! 1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:38163 -name: organic heterotetracyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:78103 +name: 1-dodecyl-2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:38164 -name: organic heteropentacyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:78104 +name: 1-dodecyl-sn-glycero-3-phosphocholine +is_a: CHEBI:30909 ! 1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:38165 -name: organic heterooctacyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:78108 +name: 1-decyl-2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:38166 -name: organic heteropolycyclic compound -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:33671 ! heteropolycyclic compound +id: CHEBI:78109 +name: 1-decyl-sn-glycero-3-phosphocholine +is_a: CHEBI:30909 ! 1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:38168 -name: chloro-1,3,5-triazine -is_a: CHEBI:26588 ! 1,3,5-triazines -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:78111 +name: 1-oleylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38170 -name: diamino-1,3,5-triazine -is_a: CHEBI:23666 ! diamine -is_a: CHEBI:26588 ! 1,3,5-triazines +id: CHEBI:78112 +name: 1-dodecylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38175 -name: triamino-1,3,5-triazine -is_a: CHEBI:26588 ! 1,3,5-triazines +id: CHEBI:78113 +name: fatty acid anion 3:0 +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38179 -name: monocyclic heteroarene -is_a: CHEBI:33833 ! heteroarene +id: CHEBI:78114 +name: 1-tetradecylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38180 -name: polycyclic heteroarene -is_a: CHEBI:33833 ! heteroarene +id: CHEBI:78115 +name: fatty acid anion 4:0 +is_a: CHEBI:58951 ! short-chain fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38181 -name: pyridinemonocarboxylate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:78116 +name: fatty acid anion 6:0 +is_a: CHEBI:58953 ! saturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion [Term] -id: CHEBI:38182 -name: monohydroxypyridine -is_a: CHEBI:24745 ! hydroxypyridine +id: CHEBI:78117 +name: fatty acid anion 8:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38183 -name: pyridone -is_a: CHEBI:26421 ! pyridines +id: CHEBI:78118 +name: fatty acid anion 10:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38184 -name: picolinate -is_a: CHEBI:38181 ! pyridinemonocarboxylate +id: CHEBI:78119 +name: fatty acid anion 12:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38187 -name: pyridinecarbaldehyde -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:49104 ! heteroarenecarbaldehyde +id: CHEBI:78121 +name: fatty acid anion 14:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38196 -name: hydroxymethylpyridine -is_a: CHEBI:26421 ! pyridines +id: CHEBI:78122 +name: fatty acid anion 15:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38198 -name: aminoalkylpyridine -is_a: CHEBI:26421 ! pyridines +id: CHEBI:78123 +name: fatty acid anion 16:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38201 -name: bacteriochlorophyll -is_a: CHEBI:28966 ! chlorophyll +id: CHEBI:78124 +name: fatty acid anion 17:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38206 -name: chlorophyllide -is_a: CHEBI:28966 ! chlorophyll +id: CHEBI:78125 +name: fatty acid anion 18:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38215 -name: calcium channel blocker -is_a: CHEBI:38808 ! calcium channel modulator +id: CHEBI:78126 +name: fatty acid anion 20:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38222 -name: hydrocarbyl anion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:78127 +name: fatty acid anion 22:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38224 -name: fumonisin -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:35742 ! tetracarboxylic acid -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:78128 +name: fatty acid anion 24:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38231 -name: phytotoxin -is_a: CHEBI:27026 ! toxin -is_a: CHEBI:76924 ! plant metabolite +id: CHEBI:78129 +name: fatty acid anion 26:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38234 -name: DNA polymerase inhibitor -is_a: CHEBI:76815 ! EC 2.7.7.* (nucleotidyltransferase) inhibitor +id: CHEBI:78130 +name: fatty acid anion 28:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38251 -name: magnesium tetrapyrrole -is_a: CHEBI:33909 ! metallotetrapyrrole -is_a: CHEBI:33976 ! magnesium coordination entity +id: CHEBI:78131 +name: fatty acid anion 30:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:38260 -name: pyrrolidines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78133 +name: fatty alcohol 14:0 +is_a: CHEBI:24026 ! fatty alcohol [Term] -id: CHEBI:38261 -name: imidazolidines -is_a: CHEBI:38304 ! diazolidine +id: CHEBI:78135 +name: 1-pentadecylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38263 -name: 2-amino-3-hydroxybutanoic acid -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78136 +name: fatty alcohol 16:0 +is_a: CHEBI:24026 ! fatty alcohol [Term] -id: CHEBI:38264 -name: 2-amino-3-methylpentanoic acid -is_a: CHEBI:22918 ! branched-chain amino acid -is_a: CHEBI:33704 ! alpha-amino acid +id: CHEBI:78138 +name: fatty alcohol 18:0 +is_a: CHEBI:24026 ! fatty alcohol [Term] -id: CHEBI:38290 -name: L-ascorbate -is_a: CHEBI:22651 ! ascorbate -relationship: has_role CHEBI:27314 ! water-soluble vitamin -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +id: CHEBI:78139 +name: fatty alcohol 20:0 +is_a: CHEBI:24026 ! fatty alcohol [Term] -id: CHEBI:38295 -name: azabicycloalkane -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78141 +name: 1-heptadecylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38297 -name: thiabicycloalkane -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:78146 +name: trans-9-octadecenoyl-CoA +is_a: CHEBI:139574 ! octadecenoyl-CoA [Term] -id: CHEBI:38303 -name: azirinopyrroloindole -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38163 ! organic heterotetracyclic compound +id: CHEBI:78147 +name: fatty alcohol 18:1 +is_a: CHEBI:24026 ! fatty alcohol [Term] -id: CHEBI:38304 -name: diazolidine -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:7815 +name: oxalosuccinic acid +is_a: CHEBI:27093 ! tricarboxylic acid +relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] -id: CHEBI:38305 -name: gibberellin monocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:78150 +name: fatty alcohol 18:2 +is_a: CHEBI:24026 ! fatty alcohol [Term] -id: CHEBI:38311 -name: cephem -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:27933 ! beta-lactam antibiotic -is_a: CHEBI:35627 ! beta-lactam -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:78163 +name: 1-octadecylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38313 -name: diazines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78164 +name: 1-(9Z,12Z)-octadecadienylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38314 -name: pyrazines -is_a: CHEBI:38313 ! diazines +id: CHEBI:78165 +name: 1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate +is_a: CHEBI:17197 ! 1-alkylglycerone 3-phosphate [Term] -id: CHEBI:38315 -name: beta-D-arabinoside -is_a: CHEBI:22601 ! arabinoside +id: CHEBI:78166 +name: 2-lysophosphatidate(2-) +is_a: CHEBI:78172 ! monoacylglycerol 3-phosphate(2-) [Term] -id: CHEBI:38316 -name: pyrimidinecarboxylate anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:78167 +name: 1-lysophosphatidate(2-) +is_a: CHEBI:78172 ! monoacylglycerol 3-phosphate(2-) [Term] -id: CHEBI:38323 -name: cholinergic drug -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:78168 +name: 1-alkylglycerol 3-phosphate(2-) +is_a: CHEBI:78169 ! monoalkylglycerophosphate(2-) [Term] -id: CHEBI:38324 -name: cholinergic agonist -is_a: CHEBI:38323 ! cholinergic drug +id: CHEBI:78169 +name: monoalkylglycerophosphate(2-) +is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) [Term] -id: CHEBI:38325 -name: muscarinic agonist -is_a: CHEBI:38324 ! cholinergic agonist +id: CHEBI:78170 +name: 1-acylglycerophosphoethanolamine zwitterion +is_a: CHEBI:78201 ! monoacylglycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:38333 -name: thiazolidine -is_a: CHEBI:35622 ! thiazolidines -is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +id: CHEBI:78171 +name: monoalkenylglycero-3-phosphate(2-) +is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) [Term] -id: CHEBI:38337 -name: pyrimidone -is_a: CHEBI:39447 ! pyrimidines +id: CHEBI:78172 +name: monoacylglycerol 3-phosphate(2-) +is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) [Term] -id: CHEBI:38338 -name: aminopyrimidine -is_a: CHEBI:33860 ! aromatic amine -is_a: CHEBI:39447 ! pyrimidines +id: CHEBI:78173 +name: 1-linoleoylglycerone 3-phosphate +is_a: CHEBI:15835 ! 1-acylglycerone 3-phosphate [Term] -id: CHEBI:38355 -name: hex-4-enoic acid -is_a: CHEBI:24580 ! hexenoic acid +id: CHEBI:78174 +name: 1-(alk-1-enyl)-glycero-3-phosphate(2-) +is_a: CHEBI:78171 ! monoalkenylglycero-3-phosphate(2-) [Term] -id: CHEBI:383703 -name: 3,6-diamino-10-methylacridinium chloride -is_a: CHEBI:36094 ! organic chloride salt -relationship: has_part CHEBI:60585 ! 3,6-diamino-10-methylacridinium -relationship: has_role CHEBI:24853 ! intercalator -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:48218 ! antiseptic drug -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:77178 ! histological dye +id: CHEBI:78175 +name: 1-arachidonoylglycerone 3-phosphate +is_a: CHEBI:15835 ! 1-acylglycerone 3-phosphate [Term] -id: CHEBI:38418 -name: 1,3-thiazoles -is_a: CHEBI:48901 ! thiazoles +id: CHEBI:78176 +name: undecanoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:38419 -name: saturated organic heterobicyclic parent -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:36388 ! saturated organic heterocyclic parent +id: CHEBI:78177 +name: trans-2-undecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:38443 -name: 1-benzopyran -is_a: CHEBI:22727 ! benzopyran +id: CHEBI:78178 +name: (2E,9Z)-hexadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:38444 -name: 2-benzopyran -is_a: CHEBI:22727 ! benzopyran +id: CHEBI:78179 +name: trans-2-heptadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:38445 -name: chromenone -is_a: CHEBI:23232 ! chromenes +id: CHEBI:78181 +name: (2E,9E)-octadecadienoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:38459 -name: oxindoles -is_a: CHEBI:24829 ! indolones -is_a: CHEBI:74222 ! gamma-lactam +id: CHEBI:78182 +name: 1-alkyl-2-acyl-glycero-3-phosphate(2-) +is_a: CHEBI:78184 ! monoalkylmonoacylglycerolphosphate(2-) [Term] -id: CHEBI:38462 -name: EC 3.1.1.7 (acetylcholinesterase) inhibitor -is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor +id: CHEBI:78183 +name: 1-alkenyl-2-acyl-glycero-3-phosphate(2-) +is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) [Term] -id: CHEBI:38467 -name: indolyl alcohol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:24828 ! indoles +id: CHEBI:78184 +name: monoalkylmonoacylglycerolphosphate(2-) +is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) [Term] -id: CHEBI:38468 -name: indol-3-yl carboxylic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:78185 +name: glycero-3-monophosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:38481 -name: alkaloid ester -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:78186 +name: 1-alkyl-2-acyl-glycero-3-phosphocholine +is_a: CHEBI:78189 ! alkylacylglycero-3-phosphocholine [Term] -id: CHEBI:38482 -name: indole alkaloid fundamental parent -is_a: CHEBI:35506 ! alkaloid fundamental parent +id: CHEBI:78187 +name: (2E,9Z)-octadecadienoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:38484 -name: ergoline -is_a: CHEBI:23666 ! diamine -is_a: CHEBI:38482 ! indole alkaloid fundamental parent -is_a: CHEBI:38958 ! indole alkaloid -is_a: CHEBI:60529 ! ergoline alkaloid +id: CHEBI:78188 +name: 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine +is_a: CHEBI:36313 ! glycerophosphocholine [Term] -id: CHEBI:38496 -name: electron-transport chain inhibitor -is_a: CHEBI:76932 ! pathway inhibitor +id: CHEBI:78189 +name: alkylacylglycero-3-phosphocholine +is_a: CHEBI:36313 ! glycerophosphocholine [Term] -id: CHEBI:38497 -name: respiratory-chain inhibitor -is_a: CHEBI:38496 ! electron-transport chain inhibitor +id: CHEBI:78190 +name: (2E,9Z,12Z)-octadecatrienoyl-CoA +is_a: CHEBI:139576 ! octadecatrienoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA [Term] -id: CHEBI:38498 -name: mitochondrial NADH:ubiquinone reductase inhibitor -is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor -is_a: CHEBI:38503 ! EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor +id: CHEBI:78191 +name: 2-lysophosphatidylcholine +is_a: CHEBI:60479 ! lysophosphatidylcholine [Term] -id: CHEBI:38500 -name: EC 1.9.3.1 (cytochrome c oxidase) inhibitor -is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor -is_a: CHEBI:76870 ! EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor +id: CHEBI:78192 +name: 1-lysophosphatidylcholine +is_a: CHEBI:60479 ! lysophosphatidylcholine [Term] -id: CHEBI:38503 -name: EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor -is_a: CHEBI:38497 ! respiratory-chain inhibitor -is_a: CHEBI:76866 ! EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor +id: CHEBI:78193 +name: 1-alkylglycero-3-phosphocholine +is_a: CHEBI:78196 ! monoalkylglycerophosphocholine [Term] -id: CHEBI:38512 -name: dibenzoquinolizine -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78194 +name: (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-coenzyme A +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85555 ! (2E,4Z)-dienoyl-CoA [Term] -id: CHEBI:38515 -name: isoquinoline alkaloid fundamental parent -is_a: CHEBI:35506 ! alkaloid fundamental parent +id: CHEBI:78195 +name: 1-(alk-1-enyl)glycero-3-phosphocholine +is_a: CHEBI:36313 ! glycerophosphocholine [Term] -id: CHEBI:38530 -name: quinazolines -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78196 +name: monoalkylglycerophosphocholine +is_a: CHEBI:36313 ! glycerophosphocholine +is_a: CHEBI:64611 ! ether lipid [Term] -id: CHEBI:38532 -name: hydrazone -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:78197 +name: 1-alkyl-2-acyl-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:78199 ! alkylacylglycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:38560 -name: simple protein -is_a: CHEBI:36080 ! protein +id: CHEBI:78198 +name: 1-(alk-1-enyl)-2-acyl-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion [Term] -id: CHEBI:38573 -name: ferroheme -is_a: CHEBI:30413 ! heme +id: CHEBI:78199 +name: alkylacylglycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion [Term] -id: CHEBI:38579 -name: peptide pheromone -is_a: CHEBI:16670 ! peptide -relationship: has_role CHEBI:26013 ! pheromone +id: CHEBI:78200 +name: 2-acylglycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:78201 ! monoacylglycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:38582 -name: difluorobenzene -is_a: CHEBI:35496 ! fluorobenzenes +id: CHEBI:78201 +name: monoacylglycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion [Term] -id: CHEBI:38584 -name: 1,3-difluorobenzene -is_a: CHEBI:38582 ! difluorobenzene +id: CHEBI:78202 +name: 1-alkylglycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:78204 ! monoalkylglycerophosphoethanolamine zwitterion [Term] -id: CHEBI:38597 -name: triazole -is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent -is_a: CHEBI:35727 ! triazoles -is_a: CHEBI:38179 ! monocyclic heteroarene +id: CHEBI:78203 +name: 1-(alk-1-enyl)-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion [Term] -id: CHEBI:38631 -name: aminoalkylindole -is_a: CHEBI:24828 ! indoles +id: CHEBI:78204 +name: monoalkylglycerophosphoethanolamine zwitterion +is_a: CHEBI:64611 ! ether lipid +is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion [Term] -id: CHEBI:38632 -name: membrane transport modulator -is_a: CHEBI:52208 ! biophysical role +id: CHEBI:78206 +name: fatty acid ethyl ester +is_a: CHEBI:23990 ! ethyl ester +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:38633 -name: sodium channel blocker -is_a: CHEBI:39000 ! sodium channel modulator +id: CHEBI:78207 +name: 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:38637 -name: tyrosine kinase inhibitor -is_a: CHEBI:37699 ! protein kinase inhibitor +id: CHEBI:78208 +name: azelaate(2-) +is_a: CHEBI:132955 ! azelaate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:38643 -name: 6-isopentenylaminopurine -is_a: CHEBI:22527 ! aminopurine +id: CHEBI:78209 +name: 2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64982 ! 2-acyl-sn-glycero-3-phosphate(2-) +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:38653 -name: methylbutyric acid -is_a: CHEBI:26666 ! short-chain fatty acid -is_a: CHEBI:39417 ! branched-chain saturated fatty acid -is_a: CHEBI:62499 ! methyl-branched fatty acid +id: CHEBI:78210 +name: monoacylglycero-3-phosphoglycerol(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:38655 -name: (S)-2-methylbutyric acid -is_a: CHEBI:37070 ! 2-methylbutyric acid +id: CHEBI:78211 +name: 1-acylglycero-3-phospho-1'-glycerol(1-) +is_a: CHEBI:78210 ! monoacylglycero-3-phosphoglycerol(1-) [Term] -id: CHEBI:38656 -name: organochlorine pesticide -is_a: CHEBI:36683 ! organochlorine compound -relationship: has_role CHEBI:25944 ! pesticide +id: CHEBI:78213 +name: 1-acylglycero-3-phospho-L-serine(1-) +is_a: CHEBI:78221 ! monoacylglycero-3-phospho-L-serine(1-) [Term] -id: CHEBI:38670 -name: pyrrolopyrimidine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78214 +name: 2-acylglycero-3-phospho-Lserine(1-) +is_a: CHEBI:78221 ! monoacylglycero-3-phospho-L-serine(1-) [Term] -id: CHEBI:38672 -name: flavans -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:38443 ! 1-benzopyran -is_a: CHEBI:47916 ! flavonoid +id: CHEBI:78215 +name: 1-hexanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:85563 ! lysophosphatidylcholine 6:0 +is_a: CHEBI:87656 ! hexanoate ester [Term] -id: CHEBI:38679 -name: fluorobiphenyl -is_a: CHEBI:22888 ! biphenyls -is_a: CHEBI:37143 ! organofluorine compound +id: CHEBI:78216 +name: alpha,beta-didehydrotryptophan zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:38684 -name: tetrahydroxyflavone -is_a: CHEBI:24698 ! hydroxyflavone +id: CHEBI:78218 +name: 1-(alk-1-enyl)-2-acetyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60260 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:38687 -name: monohydroxyflavone -is_a: CHEBI:24698 ! hydroxyflavone +id: CHEBI:78220 +name: 2-methyl-1-pyrrolinium +is_a: CHEBI:35286 ! iminium ion [Term] -id: CHEBI:38695 -name: anthocyanidin -is_a: CHEBI:47916 ! flavonoid -relationship: has_part CHEBI:16366 ! anthocyanidin cation +id: CHEBI:78221 +name: monoacylglycero-3-phospho-L-serine(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:38697 -name: anthocyanin +id: CHEBI:78222 +name: (R)-2-methylpyrrolidinium is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:47916 ! flavonoid -relationship: has_part CHEBI:35218 ! anthocyanin cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:38700 -name: organic sodium salt -is_a: CHEBI:24868 ! organic salt -is_a: CHEBI:26714 ! sodium salt +id: CHEBI:78223 +name: 1-caproyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:38702 -name: inorganic sodium salt -is_a: CHEBI:24839 ! inorganic salt -is_a: CHEBI:26714 ! sodium salt +id: CHEBI:78224 +name: 1-alkyl-2-acylglycero-3-phosphoserine(1-) +is_a: CHEBI:78225 ! alkyl,acylglycero-3-phospho-L-serine(1-) [Term] -id: CHEBI:38706 -name: pediculicide -is_a: CHEBI:24852 ! insecticide +id: CHEBI:78225 +name: alkyl,acylglycero-3-phospho-L-serine(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:38716 -name: carboxylic acid dianion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:78226 +name: 1,2-dicapryl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:38717 -name: carboxylic acid trianion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:78227 +name: 1,2-dicapryl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:38751 -name: triamine -is_a: CHEBI:88061 ! polyamine +id: CHEBI:78228 +name: 1,2-dioctanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:38755 -name: hydroxyisoflavone -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:38757 ! isoflavones +id: CHEBI:78229 +name: 1,2-dioctanoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:38757 -name: isoflavones -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:50753 ! isoflavonoid +id: CHEBI:78231 +name: 1,2-diacylglycero-3-phospho-1-inositol(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:38758 -name: isocoumarins -is_a: CHEBI:18946 ! delta-lactone -is_a: CHEBI:38761 ! isochromenes +id: CHEBI:78232 +name: 1-acylglycero-3-phospho-1-inositol(1-) +is_a: CHEBI:78234 ! monoacylglycero-3-phospho-1-inositol(1-) [Term] -id: CHEBI:38761 -name: isochromenes -is_a: CHEBI:38444 ! 2-benzopyran +id: CHEBI:78233 +name: 2-acylglycero-3-phospho-1-inositol(1-) +is_a: CHEBI:78234 ! monoacylglycero-3-phospho-1-inositol(1-) [Term] -id: CHEBI:38762 -name: isochromanes -is_a: CHEBI:38444 ! 2-benzopyran +id: CHEBI:78234 +name: monoacylglycero-3-phospho-1-inositol(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:38773 -name: quinolinemonocarboxylate +id: CHEBI:78236 +name: N-acetyl-L-cysteinate is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:35441 ! antiinfective agent +relationship: has_role CHEBI:36044 ! antiviral drug +relationship: has_role CHEBI:73336 ! vulnerary +relationship: has_role CHEBI:74529 ! antidote to paracetamol poisoning +relationship: has_role CHEBI:77034 ! mucolytic +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:38774 -name: hydroxyquinoline -is_a: CHEBI:26513 ! quinolines +id: CHEBI:78237 +name: 3-amino-4-hydroxybenzaldehyde +is_a: CHEBI:24673 ! hydroxybenzaldehyde +is_a: CHEBI:48975 ! substituted aniline +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38775 -name: monohydroxyquinoline -is_a: CHEBI:38774 ! hydroxyquinoline +id: CHEBI:78239 +name: 3-methyl-L-tyrosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:38777 -name: azetidines -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78241 +name: 5-hydroxy-3-methyl-L-tyrosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:38778 -name: triazinanes -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78245 +name: (2-amino-1-hydroxyethyl)phosphonate zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:38779 -name: 1,3,5-triazinanes -is_a: CHEBI:38778 ! triazinanes +id: CHEBI:78247 +name: (4S)-4-hydroxy-L-isoleucine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:38785 -name: morpholines -is_a: CHEBI:46952 ! oxazinane +id: CHEBI:78251 +name: 5-methyl-1-naphthoate +is_a: CHEBI:25482 ! naphthoate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38793 -name: pteroate -is_a: CHEBI:38796 ! pteroates +id: CHEBI:78252 +name: 3-hydroxy-5-methyl-1-naphthoate +is_a: CHEBI:25482 ! naphthoate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38794 -name: pteroic acid -is_a: CHEBI:38795 ! pteroic acids +id: CHEBI:78255 +name: 3alpha-hydroxy-ent-sandaracopimaradiene +is_a: CHEBI:79084 ! tricyclic diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:38795 -name: pteroic acids -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26375 ! pterins +id: CHEBI:78256 +name: oryzalexin D +is_a: CHEBI:79084 ! tricyclic diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:38796 -name: pteroates -is_a: CHEBI:22494 ! aminobenzoate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:78259 +name: oryzalexin E +is_a: CHEBI:79084 ! tricyclic diterpenoid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:38797 -name: dihydropterin -is_a: CHEBI:26375 ! pterins +id: CHEBI:78260 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:38807 -name: calcium channel agonist -is_a: CHEBI:38808 ! calcium channel modulator +id: CHEBI:78261 +name: 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71739 ! phosphatidylethanolamine 38:6 zwitterion [Term] -id: CHEBI:38808 -name: calcium channel modulator -is_a: CHEBI:38632 ! membrane transport modulator +id: CHEBI:78262 +name: 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72077 ! phosphatidylserine 38:6(1-) [Term] -id: CHEBI:38809 -name: ryanodine receptor modulator -is_a: CHEBI:38808 ! calcium channel modulator +id: CHEBI:78263 +name: 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:38824 -name: fluorocarbon -is_a: CHEBI:37143 ! organofluorine compound +id: CHEBI:78264 +name: 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:78355 ! 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-) [Term] -id: CHEBI:38825 -name: tetrafluoromethane -is_a: CHEBI:38824 ! fluorocarbon -is_a: CHEBI:39281 ! fluoromethanes -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:78265 +name: 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72084 ! phosphatidylserine 40:6(1-) [Term] -id: CHEBI:38830 -name: 1-benzofurans -is_a: CHEBI:35259 ! benzofurans +id: CHEBI:78266 +name: 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71746 ! phosphatidylethanolamine 40:6 zwitterion [Term] -id: CHEBI:38831 -name: 2-benzofurans -is_a: CHEBI:35259 ! benzofurans +id: CHEBI:78267 +name: 3-deoxy-D-threo-hex-2-ulosarate(2-) +is_a: CHEBI:24576 ! hexaric acid anion [Term] -id: CHEBI:38834 -name: benzofurochromene -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:78268 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71737 ! phosphatidylethanolamine 38:4 zwitterion [Term] -id: CHEBI:38835 -name: xanthenes -is_a: CHEBI:39203 ! dibenzopyran +id: CHEBI:78269 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72075 ! phosphatidylserine 38:4(1-) [Term] -id: CHEBI:38846 -name: phenoxyacetate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:78270 +name: 2-oleoyl-sn-glycero-3-phosphate +is_a: CHEBI:17936 ! 2-acyl-sn-glycero-3-phosphate [Term] -id: CHEBI:38853 -name: decalin -is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon -relationship: has_role CHEBI:46787 ! solvent +id: CHEBI:78272 +name: 9-cis-retinol +is_a: CHEBI:50211 ! retinol [Term] -id: CHEBI:38856 -name: halophenol +id: CHEBI:78273 +name: 9-cis-retinal +is_a: CHEBI:15035 ! retinal + +[Term] +id: CHEBI:78274 +name: ferruginol is_a: CHEBI:33853 ! phenols -is_a: CHEBI:36684 ! organohalogen compound +is_a: CHEBI:36762 ! abietane diterpenoid +is_a: CHEBI:38032 ! carbotricyclic compound +is_a: CHEBI:64419 ! meroterpenoid +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50267 ! protective agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:38867 -name: anaesthetic -is_a: CHEBI:23888 ! drug +id: CHEBI:78275 +name: N(5)-hydroxy-L-ornithine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:38869 -name: general anaesthetic -is_a: CHEBI:38867 ! anaesthetic +id: CHEBI:78276 +name: omega-hydroxyphylloquinone +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26106 ! phylloquinones [Term] -id: CHEBI:38870 -name: inhalation anaesthetic -is_a: CHEBI:38869 ! general anaesthetic +id: CHEBI:78277 +name: menatetrenone +is_a: CHEBI:16374 ! menaquinone +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:38877 -name: intravenous anaesthetic -is_a: CHEBI:38869 ! general anaesthetic +id: CHEBI:78278 +name: omega-hydroxymenaquinone-4 +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26254 ! prenylnaphthoquinone +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:38884 -name: diphenylmethane -is_a: CHEBI:51614 ! diarylmethane +id: CHEBI:78279 +name: lysophosphatidate 18:1 +is_a: CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:3892 -name: corticotropin -is_a: CHEBI:15841 ! polypeptide -is_a: CHEBI:25905 ! peptide hormone -is_a: CHEBI:33694 ! biomacromolecule -relationship: has_role CHEBI:33295 ! diagnostic agent +id: CHEBI:78281 +name: 2,7-dihydroxy-5-methyl-1-naphthoate +is_a: CHEBI:25482 ! naphthoate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38922 -name: dibenzofurans -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:78282 +name: 2-hydroxy-7-methoxy-5-methyl-1-naphthoate +is_a: CHEBI:25482 ! naphthoate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38925 -name: benzopteridine -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78283 +name: 8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:27848 ! alpha-L-rhamnoside +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38932 -name: pyridopyrimidine -is_a: CHEBI:27171 ! organic heterobicyclic compound +id: CHEBI:78285 +name: 8-demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:27848 ! alpha-L-rhamnoside +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38933 -name: 3-aminopropane-1-thiol -is_a: CHEBI:29256 ! thiol +id: CHEBI:78286 +name: 8-demethyl-8-(2,3-O-dimethyl-alpha-L-rhamnosyl)tetracenomycin C +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:27848 ! alpha-L-rhamnoside +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:48132 ! tetracenomycin +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38934 -name: purvalanol -is_a: CHEBI:38001 ! 2,6-diaminopurines +id: CHEBI:78287 +name: 8-demethyl-8-(2,3,4-O-trimethyl-alpha-L-rhamnosyl)tetracenomycin C +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:27848 ! alpha-L-rhamnoside +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:51689 ! enone +is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:38941 -name: schistosomicide drug -is_a: CHEBI:35684 ! antiplatyhelmintic drug +id: CHEBI:78290 +name: L-m-tyrosine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:38958 -name: indole alkaloid -is_a: CHEBI:22315 ! alkaloid -relationship: has_part CHEBI:73398 ! indole skeleton +id: CHEBI:78293 +name: ophiobolin F +is_a: CHEBI:26660 ! sesterterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:38975 -name: methylbenzene -is_a: CHEBI:38976 ! alkylbenzene +id: CHEBI:78294 +name: (3R)-3-hydroxy-L-argininium residue +is_a: CHEBI:141997 ! hydroxy-L-argininium residue +is_a: CHEBI:58942 ! amino-acid cation residue [Term] -id: CHEBI:38976 -name: alkylbenzene -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:33847 ! monocyclic arene +id: CHEBI:78295 +name: food component +is_a: CHEBI:52211 ! physiological role [Term] -id: CHEBI:38999 -name: GABA-gated chloride channel antagonist -is_a: CHEBI:38632 ! membrane transport modulator +id: CHEBI:78296 +name: (3S)-3-ammonio-3-(3-chloro-4,5-dihydroxyphenyl)propanoyl residue +is_a: CHEBI:58942 ! amino-acid cation residue [Term] -id: CHEBI:39000 -name: sodium channel modulator -is_a: CHEBI:38632 ! membrane transport modulator +id: CHEBI:78297 +name: (3S)-3-ammonio-3-(3-chloro-4-hydroxyphenyl)propanoyl residue +is_a: CHEBI:58942 ! amino-acid cation residue [Term] -id: CHEBI:39015 -name: apolipoprotein -is_a: CHEBI:13850 ! apoprotein +id: CHEBI:78298 +name: environmental contaminant +is_a: CHEBI:51086 ! chemical role [Term] -id: CHEBI:39022 -name: inclusion compound -is_a: CHEBI:50967 ! non-covalently-bound molecular entity +id: CHEBI:78299 +name: environmental food contaminant +is_a: CHEBI:78295 ! food component +is_a: CHEBI:78298 ! environmental contaminant [Term] -id: CHEBI:39024 -name: clathrate compound -is_a: CHEBI:39022 ! inclusion compound +id: CHEBI:78301 +name: dTDP-beta-L-rhodosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:39025 -name: high-density lipoprotein -is_a: CHEBI:6495 ! lipoprotein -relationship: has_part CHEBI:47775 ! high-density lipoprotein cholesterol +id: CHEBI:78302 +name: dTDP-2-deoxy-beta-L-fucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:39026 -name: low-density lipoprotein -is_a: CHEBI:6495 ! lipoprotein -relationship: has_part CHEBI:47774 ! low-density lipoprotein cholesterol +id: CHEBI:78303 +name: aclacinomycin S zwitterion +is_a: CHEBI:27369 ! zwitterion +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:39027 -name: very-low-density lipoprotein -is_a: CHEBI:6495 ! lipoprotein -relationship: has_part CHEBI:47773 ! very-low-density lipoprotein cholesterol -relationship: has_part CHEBI:47776 ! very-low-density lipoprotein triglyceride +id: CHEBI:78311 +name: 15-oxolipoxin A4(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:39053 -name: nitrilotriacetate(1-) -is_a: CHEBI:36299 ! tricarboxylic acid monoanion -is_a: CHEBI:39054 ! NTA +id: CHEBI:78312 +name: 5,10-dihydrophenazine-1-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:39054 -name: NTA -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:38161 ! chelator +id: CHEBI:78313 +name: 5,10-dihydro-9-dimethylallylphenazine 1-carboxylate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:39056 -name: nitrilotriacetate(2-) -is_a: CHEBI:36300 ! tricarboxylic acid dianion -is_a: CHEBI:39054 ! NTA +id: CHEBI:78314 +name: 4-O-dimethylallyl-L-tyrosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:39093 -name: organophosphorus pesticide -is_a: CHEBI:25710 ! organophosphorus compound -relationship: has_role CHEBI:25944 ! pesticide +id: CHEBI:78318 +name: pppGp(2'->5')A(5-) +is_a: CHEBI:58945 ! organophosphate oxoanion + +[Term] +id: CHEBI:78320 +name: 2-hydroxypropanoic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite +relationship: has_role CHEBI:84735 ! algal metabolite + +[Term] +id: CHEBI:78324 +name: baicalein(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48578 ! radical scavenger +relationship: has_role CHEBI:49020 ! hormone antagonist +relationship: has_role CHEBI:49023 ! prostaglandin antagonist +relationship: has_role CHEBI:64995 ! EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor +relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor [Term] -id: CHEBI:39123 -name: calcium cation -is_a: CHEBI:33513 ! alkaline earth cation -is_a: CHEBI:39124 ! calcium ion +id: CHEBI:78325 +name: 13,14-dihydro-15-oxolipoxin A4(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:39124 -name: calcium ion -is_a: CHEBI:25213 ! metal cation -is_a: CHEBI:35155 ! elemental calcium +id: CHEBI:78326 +name: 5-hydroxyxanthotoxin(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:39127 -name: magnesium cation -is_a: CHEBI:33513 ! alkaline earth cation -is_a: CHEBI:39128 ! magnesium ion +id: CHEBI:78327 +name: pseudobaptigenin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:35820 ! antiprotozoal drug +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:39128 -name: magnesium ion -is_a: CHEBI:33973 ! elemental magnesium +id: CHEBI:78328 +name: scutellarein(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:39141 -name: Bronsted acid -is_a: CHEBI:17891 ! donor -is_a: CHEBI:37527 ! acid +id: CHEBI:78329 +name: 13,14-dihydrolipoxin A4(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:39142 -name: Bronsted base -is_a: CHEBI:15339 ! acceptor -is_a: CHEBI:22695 ! base +id: CHEBI:78338 +name: wogonin(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:39143 -name: Lewis acid -is_a: CHEBI:15339 ! acceptor -is_a: CHEBI:37527 ! acid +id: CHEBI:78340 +name: 1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:39144 -name: Lewis base -is_a: CHEBI:17891 ! donor -is_a: CHEBI:22695 ! base +id: CHEBI:78341 +name: 1-(1Z-octadecenyl)-2-oleoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:78355 ! 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-) [Term] -id: CHEBI:39146 -name: trichostatin -is_a: CHEBI:49319 ! carbocyclic antibiotic +id: CHEBI:78342 +name: 1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:77290 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:39154 -name: chlorocyclohexane -is_a: CHEBI:39155 ! chlorocycloalkane +id: CHEBI:78343 +name: 1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:78355 ! 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-) [Term] -id: CHEBI:39155 -name: chlorocycloalkane -is_a: CHEBI:23115 ! chlorohydrocarbon +id: CHEBI:78345 +name: D-ribofuranose-2,5-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:39157 -name: trichostatic acid -is_a: CHEBI:35983 ! 7-oxo monocarboxylic acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +id: CHEBI:78346 +name: D-ribofuranose 5-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:39158 -name: (R)-trichostatic acid -is_a: CHEBI:39157 ! trichostatic acid +id: CHEBI:78347 +name: 3-linalylflaviolin-2-olate +is_a: CHEBI:25696 ! organic anion +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:39159 -name: (S)-trichostatic acid -is_a: CHEBI:39157 ! trichostatic acid +id: CHEBI:78349 +name: 3-sulfinopropionyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:39161 -name: 1,1,1-trichloro-2,2-diphenylethane -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:78352 +name: cyclooctat-9-en-7-ol +is_a: CHEBI:23849 ! diterpenoid [Term] -id: CHEBI:39162 -name: (R)-nicotine -is_a: CHEBI:138000 ! 3-(1-methylpyrrolidin-2-yl)pyridine +id: CHEBI:78355 +name: 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:65220 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:78882 ! 1-(alk-1-enyl)-2-acylglycero-3-phospho-L-serine(1-) [Term] -id: CHEBI:39166 -name: tetramine -is_a: CHEBI:88061 ! polyamine +id: CHEBI:78357 +name: 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:39172 -name: monochloropyridine -is_a: CHEBI:39173 ! chloropyridine +id: CHEBI:78358 +name: Delta(4)-dafachronate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:39173 -name: chloropyridine -is_a: CHEBI:26421 ! pyridines -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:78361 +name: lichen metabolite +is_a: CHEBI:25212 ! metabolite [Term] -id: CHEBI:39174 -name: 2-chloropyridine -is_a: CHEBI:39172 ! monochloropyridine +id: CHEBI:78366 +name: EC 2.7.1.1 (hexokinase) inhibitor +is_a: CHEBI:50916 ! lipid kinase inhibitor +is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor [Term] -id: CHEBI:39192 -name: dithiolanes -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:78367 +name: 1-hexadecyl-2-propionyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:39201 -name: phenazines -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78368 +name: 1-hexadecyl-2-butanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine +is_a: CHEBI:50477 ! butyrate ester [Term] -id: CHEBI:39203 -name: dibenzopyran -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:78369 +name: 1-hexadecyl-2-succinyl-sn-glycero-3-phosphocholine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:39205 -name: dibenzopyrrole -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78370 +name: cyclooctatin +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:78372 ! EC 3.1.1.5 (lysophospholipase) inhibitor [Term] -id: CHEBI:39206 -name: dibenzopyridine -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78371 +name: 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:39226 -name: chlorocarbon -is_a: CHEBI:36683 ! organochlorine compound +id: CHEBI:78372 +name: EC 3.1.1.5 (lysophospholipase) inhibitor +is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] -id: CHEBI:39250 -name: isopentadecanoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:39417 ! branched-chain saturated fatty acid -is_a: CHEBI:62499 ! methyl-branched fatty acid +id: CHEBI:78375 +name: N(5)-phenyl-L-glutamine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:39258 -name: diphenyl ether -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78376 +name: 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:39268 -name: dibenzothiazepine -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38106 ! organosulfur heterocyclic compound +id: CHEBI:78377 +name: EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor +is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor [Term] -id: CHEBI:39279 -name: halomethane -is_a: CHEBI:24469 ! haloalkane -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:78378 +name: 2-deoxy-alpha-L-fucosylaclacinomycin S zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:39281 -name: fluoromethanes -is_a: CHEBI:24067 ! fluoroalkane -is_a: CHEBI:39279 ! halomethane +id: CHEBI:78379 +name: EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor +is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] -id: CHEBI:39317 -name: growth regulator -is_a: CHEBI:24432 ! biological role +id: CHEBI:78385 +name: 1-palmityl-2-acetyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:73332 ! 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:39352 -name: dinitrophenol -is_a: CHEBI:25562 ! nitrophenol +id: CHEBI:78387 +name: 1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:60520 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:39362 -name: mononitrophenol -is_a: CHEBI:25562 ! nitrophenol +id: CHEBI:78390 +name: 1-hexadecyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:76168 ! 1-alkyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:39412 -name: bridged diphenyl acaricide -is_a: CHEBI:22153 ! acaricide +id: CHEBI:78396 +name: 4-hydroxy-3-polyprenylbenzoate +is_a: CHEBI:22718 ! benzoates [Term] -id: CHEBI:39417 -name: branched-chain saturated fatty acid -is_a: CHEBI:26607 ! saturated fatty acid -is_a: CHEBI:35819 ! branched-chain fatty acid +id: CHEBI:78402 +name: 1-oleyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58014 ! 1-alkyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:39418 -name: straight-chain saturated fatty acid -is_a: CHEBI:26607 ! saturated fatty acid -is_a: CHEBI:59202 ! straight-chain fatty acid +id: CHEBI:78415 +name: trioxilin anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:39446 -name: pyrimidine ribonucleosides -is_a: CHEBI:18254 ! ribonucleoside -is_a: CHEBI:26440 ! pyrimidine nucleoside +id: CHEBI:78419 +name: 1-(Z)-alk-1-enyl-2-acetyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:78218 ! 1-(alk-1-enyl)-2-acetyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:39447 -name: pyrimidines -is_a: CHEBI:38313 ! diazines +id: CHEBI:78421 +name: 1-oleoyl-2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:39457 -name: pyrimidine ribonucleoside 5'-monophosphate -is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate -is_a: CHEBI:26446 ! pyrimidine ribonucleotide -is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate +id: CHEBI:78423 +name: (R)-11-hydroxylaurate(1-) +is_a: CHEBI:76628 ! 11-hydroxylaurate [Term] -id: CHEBI:39474 -name: polyazaalkane -is_a: CHEBI:46686 ! azaalkane -is_a: CHEBI:88061 ! polyamine +id: CHEBI:78424 +name: 18-hydroxyoleate +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:39482 -name: chloroolefin -is_a: CHEBI:23115 ! chlorohydrocarbon +id: CHEBI:78426 +name: 1-(3-O-sulfo-beta-D-galactosyl-(1->4)-beta-D-glucosyl)-N-acylsphingosine(1-) +is_a: CHEBI:90163 ! beta-D-3-sulfogalactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) [Term] -id: CHEBI:39547 -name: (R)-carnitinium -is_a: CHEBI:3424 ! carnitinium +id: CHEBI:78428 +name: 1-alkyl-2-acyl-3-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid +is_a: CHEBI:83262 ! alkyl,acyl-3-(beta-D-galactosyl)-sn-glycerol [Term] -id: CHEBI:3962 -name: curcumin -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:51689 ! enone -is_a: CHEBI:67265 ! beta-diketone -is_a: CHEBI:78802 ! diarylheptanoid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:26130 ! biological pigment -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35617 ! flavouring agent -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:35856 ! lipoxygenase inhibitor -relationship: has_role CHEBI:37958 ! dye -relationship: has_role CHEBI:38157 ! iron chelator -relationship: has_role CHEBI:48550 ! EC 1.1.1.21 (aldehyde reductase) inhibitor -relationship: has_role CHEBI:48578 ! radical scavenger -relationship: has_role CHEBI:49323 ! contraceptive drug -relationship: has_role CHEBI:50390 ! EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor -relationship: has_role CHEBI:50733 ! nutraceutical -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:52214 ! ligand -relationship: has_role CHEBI:53746 ! EC 1.1.1.205 (IMP dehydrogenase) inhibitor -relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor -relationship: has_role CHEBI:62868 ! hepatoprotective agent -relationship: has_role CHEBI:63726 ! neuroprotective agent -relationship: has_role CHEBI:64670 ! EC 1.8.1.9 (thioredoxin reductase) inhibitor -relationship: has_role CHEBI:67079 ! anti-inflammatory agent -relationship: has_role CHEBI:76617 ! EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor -relationship: has_role CHEBI:77182 ! food colouring -relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor +id: CHEBI:78429 +name: 1-alkyl-2-acyl-3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:39745 -name: dihydrogenphosphate -is_a: CHEBI:35780 ! phosphate ion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:78430 +name: 1,2-diacyl-3-(3-O-sulfo-beta-D-galactosyl)glycerol(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:39870 -name: propylamine -is_a: CHEBI:22331 ! alkylamines +id: CHEBI:78433 +name: refrigerant +is_a: CHEBI:33232 ! application [Term] -id: CHEBI:3992 -name: cyclic ketone -is_a: CHEBI:17087 ! ketone +id: CHEBI:78435 +name: [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphospho-ditrans,polycis-undecaprenol polyanion +is_a: CHEBI:61469 ! polyanionic polymer [Term] -id: CHEBI:40 -name: (+)-pinoresinol -is_a: CHEBI:8225 ! pinoresinol -relationship: has_role CHEBI:35526 ! hypoglycemic agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76989 ! phytoestrogen +id: CHEBI:78436 +name: ganglioside GD3(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:40036 -name: amitrole -is_a: CHEBI:33860 ! aromatic amine -is_a: CHEBI:35727 ! triazoles -relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor -relationship: has_role CHEBI:24527 ! herbicide -relationship: has_role CHEBI:75380 ! EC 1.11.1.6 (catalase) inhibitor +id: CHEBI:78437 +is_obsolete: true [Term] -id: CHEBI:40070 -name: 4-hydroxycoumarin -is_a: CHEBI:37912 ! hydroxycoumarin +id: CHEBI:78438 +name: alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(3-) +is_a: CHEBI:141753 ! N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:88075 ! trisialodiglycosylceramide(3-) [Term] -id: CHEBI:40096 -name: adenosine 5'-(hexahydrogen pentaphosphate) -is_a: CHEBI:37096 ! adenosine 5'-phosphate -is_a: CHEBI:37102 ! nucleoside pentaphosphate +id: CHEBI:78442 +name: AMP 3'-end(1-) residue +is_a: CHEBI:74896 ! 3'-end ribonucleotide(1-) residue [Term] -id: CHEBI:40235 -name: 9H-purine-2,6-diamine -is_a: CHEBI:38001 ! 2,6-diaminopurines -is_a: CHEBI:50994 ! primary amino compound -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:78444 +name: EC 3.1.1.1 (carboxylesterase) inhibitor +is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] -id: CHEBI:4027 -name: cyclophosphamide -is_a: CHEBI:35467 ! phosphorodiamide -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:37598 ! nitrogen mustard -relationship: has_role CHEBI:22333 ! alkylating agent -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:35842 ! antirheumatic drug -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:78298 ! environmental contaminant -relationship: has_role CHEBI:88188 ! drug allergen +id: CHEBI:78445 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(2-) +is_a: CHEBI:82637 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) +is_a: CHEBI:88057 ! ganglioside GD1(2-) [Term] -id: CHEBI:40303 -name: lovastatin -is_a: CHEBI:18946 ! delta-lactone -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:35748 ! fatty acid ester -is_a: CHEBI:36785 ! carbobicyclic compound -is_a: CHEBI:87632 ! statin (naturally occurring) -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35821 ! anticholesteremic drug -relationship: has_role CHEBI:50266 ! prodrug -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:78446 +name: O-(S-acetylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:4031 -name: cyclosporin A -is_a: CHEBI:24613 ! homodetic cyclic peptide -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:35842 ! antirheumatic drug -relationship: has_role CHEBI:37153 ! EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor -relationship: has_role CHEBI:49167 ! anti-asthmatic drug -relationship: has_role CHEBI:50177 ! dermatologic drug -relationship: has_role CHEBI:50903 ! carcinogenic agent +id: CHEBI:78447 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88058 ! ganglioside GT1(3-) +is_a: CHEBI:90501 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(3-) [Term] -id: CHEBI:40519 -name: adamantane -is_a: CHEBI:35713 ! polycyclic alkane -is_a: CHEBI:51339 ! adamantanes +id: CHEBI:78449 +name: O-(S-malonylpantetheine-4'-phosphoryl)serine(2-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:405237 -name: L-canavanine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:78450 +name: O-(S-acetoacetylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:4056 -name: cytochrome -is_a: CHEBI:35137 ! hemoprotein +id: CHEBI:78451 +name: O-[S-(3R)-hydroxybutanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:40611 -name: adamantanone -is_a: CHEBI:22235 ! adamantanones +id: CHEBI:78452 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) +is_a: CHEBI:79220 ! N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(2-) +is_a: CHEBI:82940 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:88058 ! ganglioside GT1(3-) [Term] -id: CHEBI:40666 -name: 1,6-anhydro-N-acetyl-beta-muramic acid -is_a: CHEBI:63379 ! anhydrohexose derivative +id: CHEBI:78453 +name: O-[S-(2E)-butenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue [Term] -id: CHEBI:40721 -name: adenosine 5'-monophosphate(1+) -is_a: CHEBI:25697 ! organic cation -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:78454 +name: O-(S-butanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:40729 -name: N-acetyl-beta-D-muramic acid -is_a: CHEBI:21615 ! N-acetyl-D-muramic acid +id: CHEBI:78455 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1)(4-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88059 ! ganglioside GQ1(4-) +is_a: CHEBI:90862 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(4-) [Term] -id: CHEBI:40886 -name: beta-L-arabinopyranose -is_a: CHEBI:17535 ! L-arabinopyranose +id: CHEBI:78456 +name: O-(S-3-oxohexanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:40910 -name: azide anion -is_a: CHEBI:36828 ! pseudohalide anion -relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor +id: CHEBI:78457 +name: O-[S-(3R)-hydroxyhexanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:40968 -name: astaxanthin -is_a: CHEBI:23045 ! carotenol -is_a: CHEBI:35310 ! carotenone -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:50249 ! anticoagulant -relationship: has_role CHEBI:75767 ! animal metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77182 ! food colouring +id: CHEBI:78458 +name: O-[S-(2E)-hexenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue [Term] -id: CHEBI:41139 -name: N,N,N-trimethylglycinium -is_a: CHEBI:35267 ! quaternary ammonium ion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:78459 +name: O-(S-hexanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41189 -name: butane-1,4-diol -is_a: CHEBI:13643 ! glycol -is_a: CHEBI:52684 ! butanediol -relationship: has_role CHEBI:48356 ! protic solvent -relationship: has_role CHEBI:50266 ! prodrug -relationship: has_role CHEBI:50910 ! neurotoxin +id: CHEBI:78460 +name: O-(S-3-oxooctanoylpantetheine-4-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:41218 -name: mercaptoethanol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:47908 ! alkanethiol +id: CHEBI:78461 +name: O-[S-(3R)-hydroxyoctanoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41275 -name: 1H-benzimidazole -is_a: CHEBI:36622 ! benzimidazole -is_a: CHEBI:38180 ! polycyclic heteroarene +id: CHEBI:78462 +name: O-[S-(2E)-octenoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue [Term] -id: CHEBI:41308 -name: benzophenone -is_a: CHEBI:22726 ! benzophenones -relationship: has_role CHEBI:47868 ! photosensitizing agent -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78463 +name: O-(S-octanoylpantetheine-4-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:4139 -name: D-galactopyranose -is_a: CHEBI:12936 ! D-galactose -is_a: CHEBI:37621 ! galactopyranose -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:78464 +name: O-(S-3-oxodecanoylpantetheine-4-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:41402 -name: carboxymethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:78466 +name: O-[S-(3R)-hydroxydecanoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:4153 -name: D-galactopyranuronic acid -is_a: CHEBI:18024 ! D-galacturonic acid +id: CHEBI:78467 +name: O-[S-(2E)-decenoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue [Term] -id: CHEBI:41550 -name: fluoroform -is_a: CHEBI:39281 ! fluoromethanes -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:78468 +name: O-(S-decanoylpantetheine-4-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41582 -name: D-pipecolic acid -is_a: CHEBI:17964 ! pipecolic acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78469 +name: O-(S-3-oxododecanoylpantetheine-4-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:41609 -name: carbonate -is_a: CHEBI:35604 ! carbon oxoanion +id: CHEBI:78470 +name: O-[S-(3R)-hydroxydodecanoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:4167 -name: D-glucopyranose -is_a: CHEBI:17634 ! D-glucose -is_a: CHEBI:37661 ! glucopyranose -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78472 +name: O-[S-(2E)-dodecenoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue [Term] -id: CHEBI:41721 -name: L-cysteine-S-dioxide -is_a: CHEBI:83824 ! L-cysteine derivative +id: CHEBI:78473 +name: O-(S-3-oxotetradecanoylpantetheine-4-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:4178 -name: D-glucuronic acid -is_a: CHEBI:24298 ! glucuronic acid +id: CHEBI:78474 +name: O-[S-(3R)-hydroxytetradecanoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41808 -name: decane -is_a: CHEBI:18310 ! alkane +id: CHEBI:78475 +name: O-[S-(2E)-tetradecenoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41879 -name: dexamethasone -is_a: CHEBI:24261 ! glucocorticoid -is_a: CHEBI:35342 ! 17alpha-hydroxy steroid -is_a: CHEBI:35344 ! 21-hydroxy steroid -is_a: CHEBI:35346 ! 11beta-hydroxy steroid -is_a: CHEBI:36885 ! 20-oxo steroid -is_a: CHEBI:50830 ! fluorinated steroid -is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid -relationship: has_role CHEBI:35472 ! anti-inflammatory drug -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:37962 ! adrenergic agent -relationship: has_role CHEBI:50919 ! antiemetic -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:78477 +name: O-(S-tetradecanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41929 -name: 2-deoxy-5-O-phosphono-beta-L-ribofuranosylcytosine -is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +id: CHEBI:78478 +name: O-(S-3-oxohexadecanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:4194 -name: D-hexose -is_a: CHEBI:18133 ! hexose +id: CHEBI:78480 +name: O-[S-(3R)-hydroxyhexadecanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41945 -name: 9-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)guanine -is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate +id: CHEBI:78481 +name: O-[S-(2E)-hexadecenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue [Term] -id: CHEBI:4195 -name: D-hexose 6-phosphate -is_a: CHEBI:15965 ! D-hexose phosphate -is_a: CHEBI:47877 ! hexose 6-phosphate +id: CHEBI:78482 +name: N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide(1-) +is_a: CHEBI:141688 ! N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:88068 ! monosialomonoglycosylceramide(1-) [Term] -id: CHEBI:41977 -name: daunorubicin -is_a: CHEBI:22507 ! aminoglycoside antibiotic -is_a: CHEBI:25830 ! p-quinones -is_a: CHEBI:48120 ! anthracycline -is_a: CHEBI:51286 ! tetracenequinones -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:78483 +name: O-(S-hexadecanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:41983 -name: 4'-epidoxorubicinium -is_a: CHEBI:64678 ! anthracycline cation +id: CHEBI:78484 +name: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-stearoylsphingosine +is_a: CHEBI:27938 ! beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer [Term] -id: CHEBI:42111 -name: (R)-lactic acid -is_a: CHEBI:78320 ! 2-hydroxypropanoic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78485 +name: ganglioside GM2 (18:0) (1-) +is_a: CHEBI:71502 ! beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:42112 -name: 1-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)thymine -is_a: CHEBI:36995 ! pyrimidine 2'-deoxyribonucleoside 5'-monophosphate +id: CHEBI:78486 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-stearoylsphingosine +is_a: CHEBI:27731 ! N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide [Term] -id: CHEBI:422 -name: (S)-lactic acid -is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid -is_a: CHEBI:78320 ! 2-hydroxypropanoic acid -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78487 +name: O-(S-3-oxooctadecanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:42223 -name: emodin -is_a: CHEBI:37488 ! trihydroxyanthraquinone -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor -relationship: has_role CHEBI:50503 ! laxative -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78488 +name: O-[S-(3R)-hydroxyoctadecanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue -[Term] -id: CHEBI:42255 -name: (-)-epigallocatechin -is_a: CHEBI:23053 ! catechin -is_a: CHEBI:71224 ! flavan-3,3',4',5,5',7-hexol -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78295 ! food component +[Term] +id: CHEBI:78489 +name: O-[S-(2E)-octadecenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78784 ! O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue [Term] -id: CHEBI:42266 -name: ethane -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78433 ! refrigerant +id: CHEBI:78494 +name: 3'-(L-leucyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:42471 -name: forskolin -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:27136 ! triol -is_a: CHEBI:36770 ! labdane diterpenoid -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:47622 ! acetate ester -relationship: has_role CHEBI:35674 ! antihypertensive agent -relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor -relationship: has_role CHEBI:64946 ! anti-HIV agent -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:78547 ! protein kinase A agonist -relationship: has_role CHEBI:78548 ! adenylate cyclase agonist +id: CHEBI:78495 +name: O-(S-octadecanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:42485 -name: formyl group -is_a: CHEBI:27207 ! univalent carboacyl group +id: CHEBI:78497 +name: 3'-(L-alanyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:4251 -name: D-tagatofuranose 6-phosphate -is_a: CHEBI:17837 ! D-tagatose 6-phosphate +id: CHEBI:78499 +name: C-terminal-gamma-L-glutamyl-L-2-aminoadipate 6-phosphate(4-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:42717 -name: alpha-D-glucuronic acid -is_a: CHEBI:47952 ! D-glucopyranuronic acid +id: CHEBI:78501 +name: C-terminal-gamma-L-glutamyl-L-2-aminoadipate semialdehyde(2-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:42724 -name: (R)-amphetamine -is_a: CHEBI:132233 ! 1-phenylpropan-2-amine +id: CHEBI:78502 +name: (S)-2-aminopropan-1-ol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:50994 ! primary amino compound [Term] -id: CHEBI:42896 -name: 1-thio-beta-D-glucopyranose -is_a: CHEBI:29256 ! thiol -is_a: CHEBI:63367 ! monosaccharide derivative -is_a: CHEBI:73754 ! thiosugar +id: CHEBI:78503 +name: C-terminal-gamma-L-glutamyl-L-2-aminoadipate(3-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:43034 -name: 7,8-didemethyl-8-hydroxy-5-deazariboflavin -is_a: CHEBI:59535 ! pyrimidoquinolines -relationship: has_role CHEBI:26348 ! prosthetic group +id: CHEBI:78512 +name: 1-decanoyl-sn-glycero-3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:43035 -name: (R)-hydratropic acid -is_a: CHEBI:48526 ! hydratropic acid +id: CHEBI:78513 +name: 3'-(L-arginyl)adenylyl(1+) group +is_a: CHEBI:64769 ! organic cationic group [Term] -id: CHEBI:43176 -name: hydroxy group -is_a: CHEBI:33246 ! inorganic group +id: CHEBI:78515 +name: 3'-(L-asparaginyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:43254 -name: (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one -is_a: CHEBI:38337 ! pyrimidone +id: CHEBI:78516 +name: 3'-(L-aspartate)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:43451 -name: hydrogen iodide -is_a: CHEBI:138675 ! gas molecular entity -is_a: CHEBI:18140 ! hydrogen halide -is_a: CHEBI:37176 ! mononuclear parent hydride -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:78517 +name: 3'-(L-cysteinyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:43474 -name: hydrogenphosphate -is_a: CHEBI:35780 ! phosphate ion -is_a: CHEBI:79388 ! divalent inorganic anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:78520 +name: 3'-(L-glutamate)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:43572 -name: kojic acid -is_a: CHEBI:131906 ! 4-pyranones -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:33823 ! enol -relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor -relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor -relationship: has_role CHEBI:76956 ! Aspergillus metabolite -relationship: has_role CHEBI:85046 ! skin lightening agent -relationship: has_role CHEBI:85049 ! EC 1.10.3.1 (catechol oxidase) inhibitor -relationship: has_role CHEBI:85050 ! EC 1.10.3.2 (laccase) inhibitor -relationship: has_role CHEBI:85051 ! EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor -relationship: has_role CHEBI:85052 ! EC 1.4.3.3 (D-amino-acid oxidase) inhibitor +id: CHEBI:78521 +name: 3'-(L-glutaminyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:43619 -name: icosane -is_a: CHEBI:83563 ! long-chain alkane -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78522 +name: 3'-glycyladenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group +is_a: CHEBI:78442 ! AMP 3'-end(1-) residue [Term] -id: CHEBI:43703 -name: beta-L-fructofuranose -is_a: CHEBI:37725 ! L-fructofuranose +id: CHEBI:78525 +name: L-glutamo(2-) group +is_a: CHEBI:90782 ! C-terminal proteinogenic amino-acid residue(1-) [Term] -id: CHEBI:43732 -name: thiazole -is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent -is_a: CHEBI:38179 ! monocyclic heteroarene -is_a: CHEBI:38418 ! 1,3-thiazoles +id: CHEBI:78526 +name: C-terminal-gamma-L-glutamyl-L-lysine(1-) group +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:43799 -name: butan-1-amine -is_a: CHEBI:17062 ! primary aliphatic amine +id: CHEBI:78527 +name: 3'-(L-histidyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:43966 -name: melagatran -is_a: CHEBI:35359 ! carboxamidine -is_a: CHEBI:35735 ! dicarboxylic acid monoamide -is_a: CHEBI:38777 ! azetidines -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:50249 ! anticoagulant -relationship: has_role CHEBI:64926 ! serine protease inhibitor -relationship: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor +id: CHEBI:78528 +name: 3'-(L-isoleucyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:44185 -name: methotrexate -is_a: CHEBI:26373 ! pteridines -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:35692 ! dicarboxylic acid -relationship: has_role CHEBI:35221 ! antimetabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:35842 ! antirheumatic drug -relationship: has_role CHEBI:50177 ! dermatologic drug -relationship: has_role CHEBI:50683 ! EC 1.5.1.3 (dihydrofolate reductase) inhibitor -relationship: has_role CHEBI:50691 ! abortifacient -relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor +id: CHEBI:78529 +name: 3'-(L-lysyl)adenylyl(1+) group +is_a: CHEBI:64769 ! organic cationic group [Term] -id: CHEBI:44215 -name: NAD zwitterion -is_a: CHEBI:13389 ! NAD +id: CHEBI:78530 +name: 3'-(L-methionyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:4431 -name: deoxyribonucleotide -is_a: CHEBI:23634 ! deoxyaldopentose phosphate -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:78531 +name: 3'-(L-phenylalanyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:44312 -name: beta-muramic acid -is_a: CHEBI:7027 ! 2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose +id: CHEBI:78532 +name: 3'-(L-prolyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:443725 -name: fosmidomycin -is_a: CHEBI:24650 ! hydroxamic acid -is_a: CHEBI:26069 ! phosphonic acids -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:77654 ! EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor +id: CHEBI:78533 +name: 3'-(L-seryl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:4439 -name: dermatan -is_a: CHEBI:37395 ! mucopolysaccharide +id: CHEBI:78534 +name: 3'-(L-threonyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:44409 -name: NADP zwitterion -is_a: CHEBI:25523 ! NADP -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:78535 +name: 3'-(L-tryptophyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:44423 -name: hydroxyurea -is_a: CHEBI:47857 ! ureas -is_a: CHEBI:64708 ! one-carbon compound -relationship: has_role CHEBI:35221 ! antimetabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:48578 ! radical scavenger -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor -relationship: has_role CHEBI:64911 ! antimitotic -relationship: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor +id: CHEBI:78536 +name: 3'-(L-tyrosyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:44557 -name: nitrilotriacetic acid -is_a: CHEBI:27093 ! tricarboxylic acid -is_a: CHEBI:39054 ! NTA -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50909 ! nephrotoxic agent +id: CHEBI:78537 +name: 3'-(L-valyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:44667 -name: L-ornithinium(2+) -is_a: CHEBI:46913 ! ornithinium(2+) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78542 +name: beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-) +is_a: CHEBI:88077 ! disialotriglycosylceramide(2-) [Term] -id: CHEBI:4469 -name: (S)-amphetamine -is_a: CHEBI:132233 ! 1-phenylpropan-2-amine -relationship: has_role CHEBI:35524 ! sympathomimetic agent -relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor -relationship: has_role CHEBI:37962 ! adrenergic agent -relationship: has_role CHEBI:48560 ! dopaminergic agent -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor +id: CHEBI:78547 +name: protein kinase A agonist +is_a: CHEBI:64106 ! protein kinase agonist [Term] -id: CHEBI:4470 -name: dextromethorphan -is_a: CHEBI:25418 ! morphinane alkaloid -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:38163 ! organic heterotetracyclic compound -is_a: CHEBI:83818 ! morphinane-like compound -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:51177 ! antitussive -relationship: has_role CHEBI:60643 ! NMDA receptor antagonist -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:78548 +name: adenylate cyclase agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:44747 -name: homogentisic acid -is_a: CHEBI:24646 ! hydroquinones -is_a: CHEBI:61409 ! dihydroxyphenylacetic acid -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78551 +name: 3'-(O-phosphonato-L-seryl)adenylyl(2-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:44800 -name: (2R,4S)-2-methyltetrahydrofuran-2,3,3,4-tetrol -is_a: CHEBI:33573 ! tetrol -is_a: CHEBI:47041 ! tetrahydroxytetrahydrofuran -is_a: CHEBI:59779 ! cyclic ketal -is_a: CHEBI:63734 ! ketone hydrate -relationship: has_role CHEBI:71338 ! autoinducer +id: CHEBI:78552 +name: ribonucleoside 2'-monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:44811 -name: 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine -is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine -relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:35674 ! antihypertensive agent -relationship: has_role CHEBI:50141 ! bronchoconstrictor agent -relationship: has_role CHEBI:50248 ! hematologic agent +id: CHEBI:78554 +name: 2-methyl-3-hydroxybutyrate +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:44813 -name: N,N-dimethyl-L-prolinium -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:78556 +name: 3'-(L-pyrrolysyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:44897 -name: phosphoenolpyruvic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:36952 ! carboxyalkyl phosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:78559 +name: (2S,3S)-3-hydroxy-2-methylbutanoate +is_a: CHEBI:78554 ! 2-methyl-3-hydroxybutyrate [Term] -id: CHEBI:44976 -name: phosphonic acid -is_a: CHEBI:26069 ! phosphonic acids -is_a: CHEBI:33457 ! phosphorus oxoacid -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:78565 +name: beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)- beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36642 ! glycohexaosylceramide [Term] -id: CHEBI:45013 -name: 2-phospho-L-lactic acid -is_a: CHEBI:340863 ! 2-phospholactic acid -is_a: CHEBI:36952 ! carboxyalkyl phosphate +id: CHEBI:78566 +name: 1-(1Z)-alkenyl-2-acetyl-sn-glycero-3-phosphocholine +is_a: CHEBI:77286 ! 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:45049 -name: 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol -is_a: CHEBI:36993 ! purine 2'-deoxyribonucleoside 5'-monophosphate +id: CHEBI:78568 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88056 ! ganglioside GM1/1b(1-) +is_a: CHEBI:90151 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) [Term] -id: CHEBI:45064 -name: phosphite(3-) -is_a: CHEBI:26045 ! phosphite ion -is_a: CHEBI:79387 ! trivalent inorganic anion +id: CHEBI:78569 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) +is_a: CHEBI:88057 ! ganglioside GD1(2-) +is_a: CHEBI:90246 ! alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer(2-) [Term] -id: CHEBI:45075 -name: 7-cyano-7-deazaguanine -is_a: CHEBI:18379 ! nitrile -is_a: CHEBI:38670 ! pyrrolopyrimidine -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:78571 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(3-) +is_a: CHEBI:141724 ! N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88058 ! ganglioside GT1(3-) [Term] -id: CHEBI:45257 -name: ribostamycin -is_a: CHEBI:22479 ! amino cyclitol glycoside -is_a: CHEBI:22507 ! aminoglycoside antibiotic -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:36047 ! antibacterial drug +id: CHEBI:78572 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(4-) +is_a: CHEBI:141711 ! N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(4-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88059 ! ganglioside GQ1(4-) [Term] -id: CHEBI:45373 -name: sulfanilamide -is_a: CHEBI:35358 ! sulfonamide -is_a: CHEBI:48975 ! substituted aniline -is_a: CHEBI:87228 ! sulfonamide antibiotic -relationship: has_role CHEBI:23018 ! EC 4.2.1.1 (carbonic anhydrase) inhibitor -relationship: has_role CHEBI:33282 ! antibacterial agent +id: CHEBI:78573 +name: 3'-(L-selenocysteinyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:45506 -name: alpha-D-ribose -is_a: CHEBI:47013 ! D-ribofuranose +id: CHEBI:78574 +name: pyrimidinecarboxylic acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:39447 ! pyrimidines [Term] -id: CHEBI:45525 -name: (R)-2-methylbutyric acid -is_a: CHEBI:37070 ! 2-methylbutyric acid +id: CHEBI:78588 +name: 6-linalyl-2-O,3-dimethylflaviolin-7-olate +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:45557 -name: sec-butyl group -is_a: CHEBI:22323 ! alkyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:78589 +name: 2-O,3-dimethylflaviolin-7-olate +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:45599 -name: dodecyl hydrogen sulfate -is_a: CHEBI:29281 ! alkyl sulfate +id: CHEBI:78590 +name: 7-O-geranyl-2-O,3-dimethylflaviolin +is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:456215 -name: adenosine 5'-monophosphate(2-) -is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:78594 +name: 5alpha-pregan-20beta-ol-3-one +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:36854 ! 20-hydroxy steroid [Term] -id: CHEBI:456216 -name: ADP(3-) -is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:78595 +name: 21-dehydrocortisol +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:36886 ! 21-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid [Term] -id: CHEBI:45696 -name: hydrogensulfate -is_a: CHEBI:33482 ! sulfur oxoanion +id: CHEBI:78596 +name: 21-dehydrocortisone +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:36886 ! 21-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid [Term] -id: CHEBI:45725 -name: spermine(4+) -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:78597 +name: N-terminal alpha-amino-acid(1+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue [Term] -id: CHEBI:45744 -name: N-acetyl-beta-neuraminic acid -is_a: CHEBI:17012 ! N-acetylneuraminic acid -relationship: has_role CHEBI:53000 ! epitope +id: CHEBI:78598 +name: N-acetylamino-acid residue +is_a: CHEBI:33708 ! amino-acid residue [Term] -id: CHEBI:45804 -name: beta-D-tagatofuranose 6-phosphate -is_a: CHEBI:4251 ! D-tagatofuranose 6-phosphate +id: CHEBI:78599 +name: (gamma-L-glutamyl) N-terminal alpha-amino-acid zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:45863 -name: paclitaxel -is_a: CHEBI:50367 ! taxane diterpenoid -is_a: CHEBI:52557 ! tetracyclic diterpenoid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:61950 ! microtubule-stabilising agent +id: CHEBI:78600 +name: 11-dehydrocorticosterone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50858 ! corticosteroid +relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:45906 -name: suramin -is_a: CHEBI:36336 ! naphthalenesulfonic acid -relationship: has_role CHEBI:35444 ! antinematodal drug -relationship: has_role CHEBI:36335 ! trypanocidal drug +id: CHEBI:78601 +name: 11,21-dioxoprogesterone +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:36886 ! 21-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:61313 ! C21-steroid [Term] -id: CHEBI:45931 -name: thiamine(1+) diphosphate(1-) -is_a: CHEBI:26945 ! thiamine phosphate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78602 +name: isoursodeoxycholate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:45969 -name: tricarballylic acid -is_a: CHEBI:27093 ! tricarboxylic acid +id: CHEBI:78603 +name: 3beta-hydroxy-7-oxo-5beta-cholan-24-oate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:45979 -name: thiabendazole -is_a: CHEBI:22715 ! benzimidazoles -is_a: CHEBI:38418 ! 1,3-thiazoles -is_a: CHEBI:87036 ! benzimidazole fungicide -relationship: has_role CHEBI:35444 ! antinematodal drug -relationship: has_role CHEBI:86328 ! antifungal agrochemical +id: CHEBI:78604 +name: ursodeoxycholate +is_a: CHEBI:131878 ! cholanic acid anion +is_a: CHEBI:36235 ! bile acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:45996 -name: ribothymidine -is_a: CHEBI:25347 ! methyluridine -relationship: has_role CHEBI:59132 ! antigen -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78605 +name: 7-oxolithocholate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:46024 -name: trichostatin A -is_a: CHEBI:24650 ! hydroxamic acid -is_a: CHEBI:39146 ! trichostatin -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:78607 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:90189 ! alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-Cer(1-) [Term] -id: CHEBI:46053 -name: 2,4,6-trinitrotoluene -is_a: CHEBI:27135 ! trinitrotoluene -relationship: has_role CHEBI:63490 ! explosive +id: CHEBI:78608 +name: alpha-amino acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:46077 -name: 4H-1,2,4-triazole -is_a: CHEBI:35560 ! 1,2,4-triazole +id: CHEBI:78611 +name: 3-hydroxybutanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:46081 -name: fluconazole -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:38582 ! difluorobenzene -is_a: CHEBI:87071 ! conazole antifungal drug -is_a: CHEBI:87101 ! triazole antifungal drug -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:50183 ! P450 inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:78612 +name: C-terminal L-Cys-L-Leu-L-Val-L-Cys(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:46195 -name: paracetamol -is_a: CHEBI:22160 ! acetamides -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug -relationship: has_role CHEBI:35481 ! non-narcotic analgesic -relationship: has_role CHEBI:35493 ! antipyretic -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor -relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor -relationship: has_role CHEBI:50908 ! hepatotoxic agent -relationship: has_role CHEBI:73263 ! cyclooxygenase 3 inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:78613 +name: C-terminal L-Ala-L-Leu-L-valinamide-N-CH=CH-S residue +is_a: CHEBI:33456 ! organoheteryl group [Term] -id: CHEBI:46261 -name: N-phenylthiourea -is_a: CHEBI:51276 ! thioureas -relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor +id: CHEBI:78616 +name: carbohydrates and carbohydrate derivatives +is_a: CHEBI:36963 ! organooxygen compound [Term] -id: CHEBI:4629 -name: diosgenin -is_a: CHEBI:26606 ! sapogenin -is_a: CHEBI:35348 ! 3beta-sterol -is_a: CHEBI:70994 ! hexacyclic triterpenoid -is_a: CHEBI:72600 ! spiroketal -relationship: has_role CHEBI:22587 ! antiviral agent -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:68495 ! apoptosis inducer +id: CHEBI:78619 +name: iron(III) oxide-hydroxide(1-) +is_a: CHEBI:79389 ! monovalent inorganic anion [Term] -id: CHEBI:46342 -name: undecane -is_a: CHEBI:18310 ! alkane +id: CHEBI:78620 +name: 3-methoxy-5-methyl-1-naphthoate +is_a: CHEBI:25482 ! naphthoate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:46345 -name: 5-fluorouracil -is_a: CHEBI:37143 ! organofluorine compound -is_a: CHEBI:67142 ! nucleobase analogue -relationship: has_role CHEBI:132992 ! radiosensitizing agent -relationship: has_role CHEBI:35221 ! antimetabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:78624 +name: c[G(2',5')pA(3',5')p](2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:4638 -name: diphenidol -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:26151 ! piperidines -is_a: CHEBI:26878 ! tertiary alcohol -relationship: has_role CHEBI:50919 ! antiemetic +id: CHEBI:78625 +name: clavaldehyde(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:46398 -name: UTP(4-) -is_a: CHEBI:61557 ! nucleoside triphosphate(4-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78628 +name: 2-hydroxyglutaryl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:46442 -name: vanadate(3-) -is_a: CHEBI:30528 ! vanadium oxoanion -is_a: CHEBI:79387 ! trivalent inorganic anion -relationship: has_role CHEBI:35608 ! EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor -relationship: has_role CHEBI:37153 ! EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor -relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor -relationship: has_role CHEBI:77024 ! EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor +id: CHEBI:78629 +name: N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion monomer +is_a: CHEBI:53368 ! ionic macromolecule [Term] -id: CHEBI:46502 -name: tungstate -is_a: CHEBI:36270 ! tungsten oxoanion -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:78630 +name: 9-cis-retinoate +is_a: CHEBI:15036 ! retinoate +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50176 ! keratolytic drug +relationship: has_role CHEBI:63794 ! retinoid X receptor agonist [Term] -id: CHEBI:46570 -name: cis-zeatin -is_a: CHEBI:15333 ! zeatin -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:78631 +name: chroman-6-ol +is_a: CHEBI:23229 ! chromanol +is_a: CHEBI:33853 ! phenols [Term] -id: CHEBI:46574 -name: wybutosine -is_a: CHEBI:23003 ! carbamate ester -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:60783 ! nucleoside analogue +id: CHEBI:78636 +name: vitexin 2''-O-beta-L-rhamnoside(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:46629 -name: oxo group -is_a: CHEBI:33246 ! inorganic group +id: CHEBI:78640 +name: 7-O-methylvitexin 2''-O-beta-L-rhamnoside(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:46633 -name: carbapenems -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:27933 ! beta-lactam antibiotic -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -relationship: has_role CHEBI:33282 ! antibacterial agent +id: CHEBI:78646 +name: N-hexadecanoylsphingosine-1-phosphocholine +is_a: CHEBI:106304 ! sphingomyelin d18:1/16:0 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:46640 -name: diketone -is_a: CHEBI:17087 ! ketone +id: CHEBI:78647 +name: N-hexadecanoylsphinganine-1-phosphocholine +is_a: CHEBI:67090 ! N-acylsphinganine-1-phosphocholine +is_a: CHEBI:72513 ! sphingomyelin 34:0 +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:46645 -name: isobutanol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:50584 ! alkyl alcohol -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:78650 +name: N-hexadecanoylphytosphingosine-1-phosphocholine +is_a: CHEBI:72513 ! sphingomyelin 34:0 +is_a: CHEBI:78651 ! N-acylphytosphingosine-1-phosphocholine [Term] -id: CHEBI:46662 -name: mineral -is_a: CHEBI:59999 ! chemical substance +id: CHEBI:78651 +name: N-acylphytosphingosine-1-phosphocholine +is_a: CHEBI:64583 ! sphingomyelin [Term] -id: CHEBI:46668 -name: amino acid ester -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:78654 +name: N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion +is_a: CHEBI:78655 ! N-acylsphinganine-1-phosphoethanolamine zwitterion [Term] -id: CHEBI:46686 -name: azaalkane -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:78655 +name: N-acylsphinganine-1-phosphoethanolamine zwitterion +is_a: CHEBI:73202 ! ceramide phosphoethanolamine zwitterion [Term] -id: CHEBI:46687 -name: diazaalkane -is_a: CHEBI:39474 ! polyazaalkane +id: CHEBI:78656 +name: N-hexadecanoylphytosphingosine-1-phosphoethanolamine zwitterion +is_a: CHEBI:78657 ! N-acylphytosphingosine-1-phosphoethanolamine zwitterion [Term] -id: CHEBI:46691 -name: 2,3-dihydroxy-5-methyl-1,4-benzoquinone -is_a: CHEBI:132124 ! 1,4-benzoquinones +id: CHEBI:78657 +name: N-acylphytosphingosine-1-phosphoethanolamine zwitterion +is_a: CHEBI:73202 ! ceramide phosphoethanolamine zwitterion [Term] -id: CHEBI:46695 -name: fluorohydrocarbon -is_a: CHEBI:24472 ! halohydrocarbon -is_a: CHEBI:37143 ! organofluorine compound +id: CHEBI:78662 +name: 2,3-epoxysqualene +is_a: CHEBI:26747 ! squalene triterpenoid +is_a: CHEBI:32955 ! epoxide [Term] -id: CHEBI:46700 -name: benzoxazole -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:78663 +name: (5Z,11Z,14Z)-icosatrienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:4672 -name: docetaxel anhydrous -is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone -is_a: CHEBI:52557 ! tetracyclic diterpenoid -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38068 ! antimalarial -relationship: has_role CHEBI:47868 ! photosensitizing agent +id: CHEBI:78664 +name: (5Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:46723 -name: phosphate mineral -is_a: CHEBI:46662 ! mineral +id: CHEBI:78666 +name: 5beta-pregnan-20alpha-ol-3-one +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:36854 ! 20-hydroxy steroid [Term] -id: CHEBI:46733 -name: oxabicycloalkane -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:78670 +name: (8Z,11Z)-icosadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:46761 -name: dipeptide -is_a: CHEBI:25676 ! oligopeptide +id: CHEBI:78675 +name: fundamental metabolite +is_a: CHEBI:25212 ! metabolite [Term] -id: CHEBI:46762 -name: (E,E,E)-geranylgeraniol -is_a: CHEBI:24229 ! geranylgeraniol +id: CHEBI:78679 +name: D-ribose 5-phosphate +is_a: CHEBI:35159 ! ribose monophosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] -id: CHEBI:46765 -name: carbapenem -is_a: CHEBI:46633 ! carbapenems +id: CHEBI:78680 +name: (9Z,12Z)-tetradecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:46767 -name: pyrrolidinecarboxylic acid -is_a: CHEBI:38260 ! pyrrolidines +id: CHEBI:78682 +name: D-fructose 1,6-bisphosphate +is_a: CHEBI:24970 ! ketohexose bisphosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] -id: CHEBI:46770 -name: pyrrolidinecarboxamide -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:38260 ! pyrrolidines +id: CHEBI:78684 +name: (9Z,12Z)-pentadecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:46775 -name: N-alkylpyrrolidine -is_a: CHEBI:38260 ! pyrrolidines -is_a: CHEBI:50996 ! tertiary amino compound +id: CHEBI:78686 +name: Delta(4)-dafachronic acid +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:78698 ! dafachronic acids [Term] -id: CHEBI:46787 -name: solvent -is_a: CHEBI:33232 ! application -is_a: CHEBI:51086 ! chemical role +id: CHEBI:78687 +name: D-fructofuranose 2,6-bisphosphate +is_a: CHEBI:24970 ! ketohexose bisphosphate [Term] -id: CHEBI:46812 -name: 1,3-oxazoles -is_a: CHEBI:35790 ! oxazole +id: CHEBI:78688 +name: 2,4-diacetylphloroglucinol +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:46640 ! diketone +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:46818 -name: urate anion -is_a: CHEBI:25696 ! organic anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78690 +name: (9Z,12Z)-heptadecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:46819 -name: urate salt -is_a: CHEBI:24868 ! organic salt -relationship: has_part CHEBI:46818 ! urate anion +id: CHEBI:78691 +name: EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor +is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor [Term] -id: CHEBI:46827 -name: carboxypyridinecarboxylate -is_a: CHEBI:35695 ! dicarboxylic acid monoanion +id: CHEBI:78697 +name: D-fructose 6-phosphate +is_a: CHEBI:88003 ! fructose 6-phosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] -id: CHEBI:46828 -name: quinolinate(1-) -is_a: CHEBI:132942 ! quinolinate -is_a: CHEBI:46827 ! carboxypyridinecarboxylate -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78698 +name: dafachronic acids +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26764 ! steroid hormone +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:50401 ! cholestanoid [Term] -id: CHEBI:46842 -name: sarcosinium -is_a: CHEBI:33719 ! alpha-amino-acid cation -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78699 +name: Delta(7)-dafachronic acid +is_a: CHEBI:71598 ! 3-oxo Delta(7)-steroid +is_a: CHEBI:78698 ! dafachronic acids +relationship: has_role CHEBI:75767 ! animal metabolite [Term] -id: CHEBI:46845 -name: N-alkylpiperazine -is_a: CHEBI:26144 ! piperazines -is_a: CHEBI:50996 ! tertiary amino compound +id: CHEBI:78700 +name: 9-oxononanoic acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:76328 ! omega-oxo fatty acid +relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor [Term] -id: CHEBI:46848 -name: N-arylpiperazine -is_a: CHEBI:26144 ! piperazines -is_a: CHEBI:33860 ! aromatic amine -is_a: CHEBI:50996 ! tertiary amino compound +id: CHEBI:78703 +name: 2-arachidonoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:37646 ! 2-acyl-sn-glycero-3-phosphoserine [Term] -id: CHEBI:46850 -name: organoammonium salt -is_a: CHEBI:35276 ! ammonium compound +id: CHEBI:78709 +name: 3-deoxy-D-threo-hex-2-ulosaric acid +is_a: CHEBI:63438 ! hexaric acid derivative [Term] -id: CHEBI:46851 -name: N-(2-hydroxyethyl)piperazine -is_a: CHEBI:23981 ! ethanolamines -is_a: CHEBI:46845 ! N-alkylpiperazine +id: CHEBI:78712 +name: tetrahydropyrimidine +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] -id: CHEBI:46867 -name: indolyl carboxylic acid -is_a: CHEBI:24828 ! indoles -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:78715 +name: 1,4,5,6-tetrahydropyrimidines +is_a: CHEBI:78712 ! tetrahydropyrimidine [Term] -id: CHEBI:46883 -name: carboxy group -is_a: CHEBI:33249 ! organyl group +id: CHEBI:78717 +name: UDP-alpha-D-galactosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:46890 -name: silicon hydroxide -is_a: CHEBI:26677 ! silicon molecular entity +id: CHEBI:78718 +name: UDP-alpha-D-glucosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:46891 -name: azetidinecarboxylic acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:38777 ! azetidines +id: CHEBI:7872 +name: oxytocin +is_a: CHEBI:24533 ! heterodetic cyclic peptide +is_a: CHEBI:25905 ! peptide hormone +relationship: has_role CHEBI:35620 ! vasodilator agent +relationship: has_role CHEBI:36063 ! oxytocic [Term] -id: CHEBI:46895 -name: lipopeptide -is_a: CHEBI:16670 ! peptide -is_a: CHEBI:18059 ! lipid +id: CHEBI:78723 +name: 3'-(D-tyrosyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:46896 -name: diacyl lipopeptide -is_a: CHEBI:46895 ! lipopeptide +id: CHEBI:78730 +name: 9(R)-HODE +is_a: CHEBI:72651 ! 9-HODE [Term] -id: CHEBI:46904 -name: oxalate(1-) -is_a: CHEBI:132952 ! oxalate -is_a: CHEBI:35695 ! dicarboxylic acid monoanion +id: CHEBI:78734 +name: tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate +is_a: CHEBI:36243 ! propanoate ester +is_a: CHEBI:37332 ! tropane alkaloid relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:46905 -name: (R)-pantothenic acid -is_a: CHEBI:7916 ! pantothenic acid -relationship: has_role CHEBI:74530 ! antidote to curare poisoning -relationship: has_role CHEBI:75769 ! B vitamin -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:78736 +name: D-fructose 1-phosphate +is_a: CHEBI:78737 ! fructose 1-phosphate [Term] -id: CHEBI:46911 -name: L-ornithinium(1+) -is_a: CHEBI:46912 ! ornithinium(1+) -is_a: CHEBI:62031 ! polar amino acid zwitterion +id: CHEBI:78737 +name: fructose 1-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate +relationship: has_role CHEBI:78675 ! fundamental metabolite [Term] -id: CHEBI:46912 -name: ornithinium(1+) -is_a: CHEBI:33719 ! alpha-amino-acid cation -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:78741 +name: oxidopamine +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:33567 ! catecholamine +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:46913 -name: ornithinium(2+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:78762 +name: 1-oleoyl-sn-glycero-3-phospho-D-myo-inositol(1-) +is_a: CHEBI:64771 ! 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:74466 ! lysophosphatidylinositol 18:1(1-) [Term] -id: CHEBI:46914 -name: L-ornithinate -is_a: CHEBI:32964 ! ornithinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78765 +name: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) +is_a: CHEBI:75243 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) [Term] -id: CHEBI:46915 -name: sarcosinate -is_a: CHEBI:33558 ! alpha-amino-acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:78768 +name: 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:46920 -name: N-methylpiperazine -is_a: CHEBI:46845 ! N-alkylpiperazine -is_a: CHEBI:50996 ! tertiary amino compound +id: CHEBI:78771 +name: ascarylopyranose +is_a: CHEBI:30944 ! ascarylose +is_a: CHEBI:38131 ! lactol [Term] -id: CHEBI:46939 -name: indolyl carboxylate ester -is_a: CHEBI:24828 ! indoles -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:78772 +name: alpha-ascarylopyranose +is_a: CHEBI:78771 ! ascarylopyranose [Term] -id: CHEBI:46951 -name: 3-(2,3-dihydroxyphenyl)propanoate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:78776 +name: O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:46952 -name: oxazinane -is_a: CHEBI:25693 ! organic heteromonocyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:78778 +name: O-[S-(11Z)-hexadecenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:46955 -name: anthracenes -is_a: CHEBI:38032 ! carbotricyclic compound -is_a: CHEBI:51269 ! acenes +id: CHEBI:78779 +name: O-[S-(13Z)-3-oxooctadecenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:46957 -name: 3-(2-hydroxyphenyl)propanoate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite -relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite -relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +id: CHEBI:78783 +name: O-(S-oleoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:46960 -name: dTMP(-) -is_a: CHEBI:15245 ! thymidine 5'-monophosphate +id: CHEBI:78784 +name: O-[S-(2E)-2-enoylpantetheine-4'-phosphoryl]-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:46961 -name: phytosphingosine -is_a: CHEBI:22478 ! amino alcohol -is_a: CHEBI:27136 ! triol -is_a: CHEBI:35785 ! sphingoid -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:78785 +name: O-(S-2,3-saturated acylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:46963 -name: 2-aminooctadecene-1,3-diol -is_a: CHEBI:22501 ! aminodiol -is_a: CHEBI:35785 ! sphingoid +id: CHEBI:78795 +name: pentadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78122 ! fatty acid anion 15:0 +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:46964 -name: 2-aminooctadec-4-ene-1,3-diol -is_a: CHEBI:46963 ! 2-aminooctadecene-1,3-diol +id: CHEBI:78796 +name: nonadecanoate +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:78892 ! fatty acid anion 19:0 +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:46965 -name: (2R,3S)-2-aminooctadec-4-ene-1,3-diol -is_a: CHEBI:46964 ! 2-aminooctadec-4-ene-1,3-diol +id: CHEBI:78798 +name: O-[S-(3Z)-decenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:46966 -name: 2-amino-1-hydroxyoctadecan-3-one -is_a: CHEBI:17087 ! ketone -is_a: CHEBI:35785 ! sphingoid +id: CHEBI:78802 +name: diarylheptanoid +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:33836 ! benzenoid aromatic compound +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:46967 -name: L-erythro-sphingosine -is_a: CHEBI:46965 ! (2R,3S)-2-aminooctadec-4-ene-1,3-diol +id: CHEBI:78803 +name: nematode metabolite +is_a: CHEBI:75767 ! animal metabolite [Term] -id: CHEBI:46968 -name: 2-aminooctadecane-1,3-diol -is_a: CHEBI:22501 ! aminodiol -is_a: CHEBI:35785 ! sphingoid +id: CHEBI:78804 +name: Caenorhabditis elegans metabolite +is_a: CHEBI:78803 ! nematode metabolite [Term] -id: CHEBI:46987 -name: alpha-L-arabinopyranose -is_a: CHEBI:17535 ! L-arabinopyranose +id: CHEBI:78809 +name: N(6)-octanoyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:46988 -name: 4-amino-4-deoxyarabinose -is_a: CHEBI:46989 ! pentosamine +id: CHEBI:78810 +name: 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71721 ! phosphatidylethanolamine 34:2 zwitterion [Term] -id: CHEBI:46989 -name: pentosamine -is_a: CHEBI:60926 ! amino monosaccharide +id: CHEBI:78811 +name: heptanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:46990 -name: 4-amino-4-deoxy-L-arabinose -is_a: CHEBI:46988 ! 4-amino-4-deoxyarabinose +id: CHEBI:78812 +name: ascr#2 +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:79201 ! hydroxy ketone ascaroside +relationship: has_role CHEBI:26013 ! pheromone +relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite [Term] -id: CHEBI:46991 -name: 4-amino-4-deoxy-L-arabinopyranose -is_a: CHEBI:46990 ! 4-amino-4-deoxy-L-arabinose +id: CHEBI:78813 +name: 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71720 ! phosphatidylethanolamine 34:1 [Term] -id: CHEBI:46992 -name: 4-amino-4-deoxy-alpha-L-arabinopyranose -is_a: CHEBI:46991 ! 4-amino-4-deoxy-L-arabinopyranose +id: CHEBI:78814 +name: 1-oleoyl-2-myristoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71712 ! phosphatidylethanolamine 32:1 zwitterion +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:46993 -name: 4-amino-4-deoxy-beta-L-arabinopyranose -is_a: CHEBI:46991 ! 4-amino-4-deoxy-L-arabinopyranose +id: CHEBI:78815 +name: N(6)-(S(8)-acetyldihydrolipoyl)-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:46994 -name: D-arabinopyranose -is_a: CHEBI:17108 ! D-arabinose +id: CHEBI:78816 +name: 5-hydroxyhexan-2-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:35681 ! secondary alcohol [Term] -id: CHEBI:46995 -name: alpha-D-arabinopyranose -is_a: CHEBI:46994 ! D-arabinopyranose +id: CHEBI:78817 +name: (5R)-5-hydroxyhexan-2-one +is_a: CHEBI:78816 ! 5-hydroxyhexan-2-one [Term] -id: CHEBI:46996 -name: beta-D-arabinopyranose -is_a: CHEBI:46994 ! D-arabinopyranose +id: CHEBI:78818 +name: O-(S-3-oxopentanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:46997 -name: L-ribose -is_a: CHEBI:33942 ! ribose +id: CHEBI:78820 +name: O-(S-3-oxo-4-methylpentanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:46998 -name: ribofuranose -is_a: CHEBI:33942 ! ribose -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:78822 +name: O-(S-3-oxo-5-methylhexanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:47000 -name: L-ribofuranose -is_a: CHEBI:46997 ! L-ribose -is_a: CHEBI:46998 ! ribofuranose +id: CHEBI:78823 +name: O-(S-3-oxo-4-methylhexanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:47004 -name: alpha-L-ribose -is_a: CHEBI:47000 ! L-ribofuranose +id: CHEBI:78824 +name: O-(S-3-oxoheptanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:47013 -name: D-ribofuranose -is_a: CHEBI:16988 ! D-ribose -is_a: CHEBI:46998 ! ribofuranose +id: CHEBI:78826 +name: O-(S-3-oxononanoylpantetheine-4'-phosphoryl)serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:47016 -name: tetrahydrofuranone -is_a: CHEBI:26912 ! oxolanes +id: CHEBI:78827 +name: O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:47017 -name: tetrahydrofuranol -is_a: CHEBI:26912 ! oxolanes +id: CHEBI:78832 +name: (5Z,8Z,11Z,13E)-15-HETE(1-) +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:47018 -name: monohydroxytetrahydrofuran -is_a: CHEBI:47017 ! tetrahydrofuranol +id: CHEBI:78833 +name: 11-HETE(1-) +is_a: CHEBI:131858 ! HETE anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:47019 -name: dihydroxytetrahydrofuran -is_a: CHEBI:47017 ! tetrahydrofuranol +id: CHEBI:78836 +name: 11(R)-HETE(1-) +is_a: CHEBI:78833 ! 11-HETE(1-) [Term] -id: CHEBI:47022 -name: tetrahydrofurandione -is_a: CHEBI:47016 ! tetrahydrofuranone +id: CHEBI:78837 +name: 15(R)-HETE(1-) +is_a: CHEBI:78832 ! (5Z,8Z,11Z,13E)-15-HETE(1-) [Term] -id: CHEBI:47025 -name: UDP-4-amino-4-deoxy-beta-L-arabinopyranose -is_a: CHEBI:35262 ! UDP-amino sugar -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:78840 +name: olefinic compound +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:47027 -name: UDP-4-deoxy-4-formamido-beta-L-arabinopyranose -is_a: CHEBI:35262 ! UDP-amino sugar -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:78844 +name: 3'-(N-formyl-L-methionyl)adenylyl(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:47037 -name: cyclic purine dinucleotide -is_a: CHEBI:36982 ! cyclic purine nucleotide +id: CHEBI:78845 +name: O-[S-(methoxycarbonylacetyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:47039 -name: 4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate -is_a: CHEBI:26185 ! polyprenyl glycosyl phosphate +id: CHEBI:78846 +name: O-(S-pimeloylpantetheine-4'-phosphoryl)serine(2-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue [Term] -id: CHEBI:47040 -name: lipid A -is_a: CHEBI:25051 ! lipid As +id: CHEBI:78847 +name: UDP-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(2-) +is_a: CHEBI:137179 ! UDP-2,3-diacyl-alpha-D-glucosamine(2-) [Term] -id: CHEBI:47041 -name: tetrahydroxytetrahydrofuran -is_a: CHEBI:47017 ! tetrahydrofuranol +id: CHEBI:78856 +name: 2-methyl-1-pyrroline +is_a: CHEBI:23763 ! pyrroline +is_a: CHEBI:24783 ! imine [Term] -id: CHEBI:47042 -name: hydroxycalciol -is_a: CHEBI:36853 ! hydroxy seco-steroid +id: CHEBI:78858 +name: (R)-2-methylpyrrolidine +is_a: CHEBI:38260 ! pyrrolidines [Term] -id: CHEBI:4705 -name: double-stranded DNA -is_a: CHEBI:16991 ! deoxyribonucleic acid +id: CHEBI:78859 +name: 12(S)-HPE(5,8,10)TrE +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid [Term] -id: CHEBI:47136 -name: pentachlorobenzene -is_a: CHEBI:83390 ! pentachlorobenzenes -relationship: has_role CHEBI:77853 ! persistent organic pollutant +id: CHEBI:78860 +name: 12(S)-HPE(8,10,14)TrE +is_a: CHEBI:84174 ! 12-HPE(8,10,14)TrE [Term] -id: CHEBI:4743 -name: ecgonine -is_a: CHEBI:37332 ! tropane alkaloid -is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:78861 +name: 14(S)-HPDHE +is_a: CHEBI:84177 ! 14-HPDHE [Term] -id: CHEBI:47537 -name: L-glucaric acid -is_a: CHEBI:17301 ! glucaric acid +id: CHEBI:78862 +name: tetracosapentaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47600 -name: purvalanol A -is_a: CHEBI:38934 ! purvalanol +id: CHEBI:78863 +name: hexacosapentaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47622 -name: acetate ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:78864 +name: hexacosatetraenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:4767 -name: Elastin -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:78865 +name: hexacosenoic acid +is_a: CHEBI:25413 ! monounsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47724 -name: vancomycin aglycone -is_a: CHEBI:24533 ! heterodetic cyclic peptide -is_a: CHEBI:25903 ! peptide antibiotic -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:37407 ! cyclic ether -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:78866 +name: hexacosahexaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47763 -name: beta-L-Ara4N-lipid A -is_a: CHEBI:25051 ! lipid As -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:78867 +name: tetracosatetraenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid -[Term] -id: CHEBI:47773 -name: very-low-density lipoprotein cholesterol -is_a: CHEBI:50404 ! lipoprotein cholesterol +[Term] +id: CHEBI:78868 +name: octacosatetraenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47774 -name: low-density lipoprotein cholesterol -is_a: CHEBI:50404 ! lipoprotein cholesterol +id: CHEBI:78869 +name: octacosapentaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47775 -name: high-density lipoprotein cholesterol -is_a: CHEBI:50404 ! lipoprotein cholesterol +id: CHEBI:78882 +name: 1-(alk-1-enyl)-2-acylglycero-3-phospho-L-serine(1-) +is_a: CHEBI:78224 ! 1-alkyl-2-acylglycero-3-phosphoserine(1-) [Term] -id: CHEBI:47776 -name: very-low-density lipoprotein triglyceride -is_a: CHEBI:17855 ! triglyceride +id: CHEBI:78892 +name: fatty acid anion 19:0 +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:47778 -name: glyceride -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:35741 ! glycerolipid +id: CHEBI:78896 +name: tetradecenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:47779 -name: aminoglycoside -is_a: CHEBI:24400 ! glycoside -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:78902 +name: L-canavanine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:47781 -name: desipramine -is_a: CHEBI:47804 ! dibenzoazepine -is_a: CHEBI:50995 ! secondary amino compound -relationship: has_role CHEBI:35469 ! antidepressant -relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor -relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist -relationship: has_role CHEBI:37955 ! H1-receptor antagonist -relationship: has_role CHEBI:48873 ! cholinergic antagonist -relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor -relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor -relationship: has_role CHEBI:76811 ! EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor -relationship: has_role CHEBI:88188 ! drug allergen +id: CHEBI:78903 +name: mannoprotein +is_a: CHEBI:17089 ! glycoprotein +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] -id: CHEBI:47783 -name: cyclopentafuran -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:78904 +name: 4,4-dimethyl-8,14-cholestadien-3beta-ol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid [Term] -id: CHEBI:47784 -name: nucleotide conjugate -is_a: CHEBI:61120 ! nucleobase-containing molecular entity +id: CHEBI:78907 +name: 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)(3-) +is_a: CHEBI:60110 ! 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate(3-) [Term] -id: CHEBI:47787 -name: 11-oxo steroid -is_a: CHEBI:35789 ! oxo steroid +id: CHEBI:78908 +name: 10(R)-HPO(6,8,12)TrE +is_a: CHEBI:84180 ! 10-HPO(6,8,12)TrE [Term] -id: CHEBI:47788 -name: 3-oxo steroid -is_a: CHEBI:35789 ! oxo steroid -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:78909 +name: 12-HPEPE +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid +relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor [Term] -id: CHEBI:47790 -name: furofuran -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:78911 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:47791 -name: phenylacetaldehyde oxime -is_a: CHEBI:22307 ! aldoxime +id: CHEBI:78915 +name: triacontatetraenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47798 -name: xi-progoitrin(1-) -is_a: CHEBI:62663 ! hydroxy-alkenylglucosinolate +id: CHEBI:78917 +name: triacontahexaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47804 -name: dibenzoazepine -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:78918 +name: dotriacontatetraenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47811 -name: penamcarboxylate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:35992 ! penams +id: CHEBI:78919 +name: dotriacontahexaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47857 -name: ureas -is_a: CHEBI:33256 ! primary amide +id: CHEBI:78920 +name: dotriacontapentaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47867 -name: indicator -is_a: CHEBI:33232 ! application +id: CHEBI:78929 +name: N-hexadecanoylphosphatidylethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:47868 -name: photosensitizing agent -is_a: CHEBI:23888 ! drug +id: CHEBI:78930 +name: 1-acyl-2-hexanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-5'-phosphate)(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:47877 -name: hexose 6-phosphate -is_a: CHEBI:47878 ! hexose phosphate +id: CHEBI:78931 +name: 1-acyl-2-hexanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol)(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:47878 -name: hexose phosphate -is_a: CHEBI:33447 ! phospho sugar -is_a: CHEBI:63385 ! hexose derivative +id: CHEBI:78932 +name: tetratriacontapentaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47881 -name: 3-oxo monocarboxylic acid -is_a: CHEBI:35871 ! oxo monocarboxylic acid +id: CHEBI:78933 +name: tetratriacontahexaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47882 -name: cyclic polypyrrole -is_a: CHEBI:38077 ! polypyrrole +id: CHEBI:78934 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-) +is_a: CHEBI:58088 ! 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) [Term] -id: CHEBI:47885 -name: dinucleotide -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:78935 +name: hexatriacontatetraenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47891 -name: steroid acid -is_a: CHEBI:35341 ! steroid -is_a: CHEBI:64709 ! organic acid +id: CHEBI:78936 +name: hexatriacontapentaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47896 -name: pyridine nucleoside -is_a: CHEBI:33838 ! nucleoside -is_a: CHEBI:36979 ! N-glycosylpyridine +id: CHEBI:78937 +name: hexatriacontahexaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47898 -name: 4'-epidoxorubicin -is_a: CHEBI:139590 ! primary alpha-hydroxy ketone -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:25830 ! p-quinones -is_a: CHEBI:35315 ! deoxy hexoside -is_a: CHEBI:47779 ! aminoglycoside -is_a: CHEBI:48120 ! anthracycline -is_a: CHEBI:49322 ! anthracycline antibiotic -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor +id: CHEBI:78938 +name: octatriacontatetraenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47901 -name: alkanesulfonic acid -is_a: CHEBI:33551 ! organosulfonic acid -relationship: has_part CHEBI:22323 ! alkyl group +id: CHEBI:78939 +name: octatriacontapentaenoic acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:27283 ! very long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:47908 -name: alkanethiol -is_a: CHEBI:29256 ! thiol +id: CHEBI:78940 +name: N-palmitoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:47909 -name: 3-oxo-Delta(4) steroid -is_a: CHEBI:47788 ! 3-oxo steroid -is_a: CHEBI:51689 ! enone -relationship: has_part CHEBI:136849 ! 3-oxo-Delta(4)-steroid group +id: CHEBI:78947 +name: archaeal metabolite +is_a: CHEBI:75787 ! prokaryotic metabolite [Term] -id: CHEBI:47910 -name: S-substituted L-cysteine -is_a: CHEBI:26834 ! sulfur-containing amino acid -is_a: CHEBI:83824 ! L-cysteine derivative +id: CHEBI:78948 +name: L-2-amino-3-oxobutanoic acid zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:47916 -name: flavonoid -is_a: CHEBI:72544 ! flavonoids +id: CHEBI:78954 +name: (omega-1)-hydroxy fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:35681 ! secondary alcohol [Term] -id: CHEBI:47917 -name: 1-ribosylbenzimidazole -is_a: CHEBI:21731 ! N-glycosyl compound -is_a: CHEBI:22715 ! benzimidazoles +id: CHEBI:7896 +name: hexadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76619 ! omega-methyl fatty acid anion +is_a: CHEBI:78123 ! fatty acid anion 16:0 +is_a: CHEBI:83955 ! 2-saturated fatty acid anion +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:47923 -name: tripeptide -is_a: CHEBI:25676 ! oligopeptide +id: CHEBI:78978 +name: (11R)-11-hydroxylauric acid +is_a: CHEBI:76937 ! 11-hydroxylauric acid [Term] -id: CHEBI:47952 -name: D-glucopyranuronic acid -is_a: CHEBI:4178 ! D-glucuronic acid -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:78981 +name: UDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:47958 -name: nicotinic acetylcholine receptor agonist -is_a: CHEBI:38324 ! cholinergic agonist +id: CHEBI:78983 +name: O-[S-(3R)-hydroxypentanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:47962 -name: aldehydo-D-galacturonic acid -is_a: CHEBI:18024 ! D-galacturonic acid +id: CHEBI:78985 +name: O-[S-(3R)-hydroxy-4-methylhexanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:47964 -name: aurone -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:72576 ! aurones +id: CHEBI:78986 +name: O-[S-(3R)-hydroxy-5-methylhexanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:47965 -name: N-acetylmuramic acid -is_a: CHEBI:25432 ! muramic acids +id: CHEBI:78987 +name: O-[S-(3R)-hydroxyheptanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:47977 -name: 2-amino-2-deoxy-D-glucopyranose -is_a: CHEBI:17315 ! D-glucosamine -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:78988 +name: O-[S-(3R)-hydroxynonanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:47978 -name: N-acetylmuramate -is_a: CHEBI:33985 ! muramates +id: CHEBI:78993 +name: 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:47989 -name: enamine -is_a: CHEBI:32952 ! amine -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:78994 +name: 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3',5'-bisphosphate)(5-) +is_a: CHEBI:57923 ! 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) [Term] -id: CHEBI:48001 -name: protein synthesis inhibitor -is_a: CHEBI:76932 ! pathway inhibitor +id: CHEBI:78995 +name: 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)(3-) +is_a: CHEBI:58088 ! 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) +is_a: CHEBI:78993 ! 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-) [Term] -id: CHEBI:48030 -name: tetrapeptide -is_a: CHEBI:25676 ! oligopeptide +id: CHEBI:79005 +name: diphthine methyl ester residue +is_a: CHEBI:33708 ! amino-acid residue [Term] -id: CHEBI:48041 -name: microcystin -is_a: CHEBI:24533 ! heterodetic cyclic peptide -relationship: has_role CHEBI:50908 ! hepatotoxic agent -relationship: has_role CHEBI:88048 ! cyanotoxin +id: CHEBI:79007 +name: tricosanoate +is_a: CHEBI:58950 ! very long-chain fatty acid anion +is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion +is_a: CHEBI:88081 ! fatty acid anion 23:0 [Term] -id: CHEBI:4806 -name: (-)-epigallocatechin 3-gallate -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:37576 ! gallate ester -is_a: CHEBI:38672 ! flavans -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:63726 ! neuroprotective agent -relationship: has_role CHEBI:63962 ! Hsp90 inhibitor -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:79008 +name: (R)-nicotinium(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:48080 -name: brefeldin A -is_a: CHEBI:25105 ! macrolide antibiotic -relationship: has_role CHEBI:76964 ! Penicillium metabolite +id: CHEBI:79010 +name: prostaglandin D1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:48081 -name: bacteriocin -is_a: CHEBI:25903 ! peptide antibiotic +id: CHEBI:79020 +name: alpha,beta-unsaturated monocarboxylic acid +is_a: CHEBI:25384 ! monocarboxylic acid [Term] -id: CHEBI:48107 -name: nitric acid -is_a: CHEBI:33455 ! nitrogen oxoacid -relationship: has_role CHEBI:33893 ! reagent -relationship: has_role CHEBI:48356 ! protic solvent +id: CHEBI:79021 +name: (11Z)-3-oxohexadecenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:84947 ! (11Z)-Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:48109 -name: nitrobenzenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:35716 ! C-nitro compound +id: CHEBI:79031 +name: dihydromonacolin L carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:48110 -name: trinitrobenzene -is_a: CHEBI:48109 ! nitrobenzenes +id: CHEBI:79032 +name: O-[S-(dihydromonacolin L carboxy)pantetheine-4'-phosphoryl]-L-serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:48113 -name: 1,3,5-trinitrobenzene -is_a: CHEBI:48110 ! trinitrobenzene -relationship: has_role CHEBI:63490 ! explosive +id: CHEBI:79034 +name: monacolin J +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:75885 ! 2-pyranones +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35664 ! EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:48116 -name: nucleotide-amino acid -is_a: CHEBI:36976 ! nucleotide -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:79035 +name: monacolin J carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:48117 -name: 1-glycosylimidazole -is_a: CHEBI:21731 ! N-glycosyl compound -is_a: CHEBI:24780 ! imidazoles +id: CHEBI:79036 +name: 3alpha-hydroxy-3,5-dihydromonacolin L carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:48120 -name: anthracycline -is_a: CHEBI:26188 ! polyketide -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:79038 +name: mevinolinate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:48122 -name: hydrogensilicate(3-) -is_a: CHEBI:48123 ! silicate ion -is_a: CHEBI:79387 ! trivalent inorganic anion +id: CHEBI:79044 +name: monacolin L carboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:48123 -name: silicate ion -is_a: CHEBI:37191 ! silicon oxoanion +id: CHEBI:79047 +name: D-mannopyranuronic acid +is_a: CHEBI:33076 ! D-mannonic acid [Term] -id: CHEBI:48124 -name: dihydrogensilicate(2-) -is_a: CHEBI:48123 ! silicate ion -is_a: CHEBI:79388 ! divalent inorganic anion +id: CHEBI:79048 +name: L-glucuronic acid +is_a: CHEBI:24298 ! glucuronic acid [Term] -id: CHEBI:48125 -name: trihydrogensilicate(1-) -is_a: CHEBI:48123 ! silicate ion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:79049 +name: L-glucopyranuronic acid +is_a: CHEBI:79048 ! L-glucuronic acid [Term] -id: CHEBI:48129 -name: benzoisochromanequinone -is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:36141 ! quinone +id: CHEBI:79054 +name: D-arabinofuranose +is_a: CHEBI:17108 ! D-arabinose [Term] -id: CHEBI:48132 -name: tetracenomycin -is_a: CHEBI:26188 ! polyketide -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:79056 +name: plasticiser +is_a: CHEBI:33232 ! application [Term] -id: CHEBI:48136 -name: xanthosines -is_a: CHEBI:26399 ! purine ribonucleoside +id: CHEBI:79057 +name: hercynylcysteine sulfoxide +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:83824 ! L-cysteine derivative +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:48144 -name: cyclosiloxane -is_a: CHEBI:26677 ! silicon molecular entity -is_a: CHEBI:5686 ! heterocyclic compound +id: CHEBI:79058 +name: D-arabinose 5-phosphate +is_a: CHEBI:22600 ! arabinose phosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:48145 -name: cyclotetrasiloxane -is_a: CHEBI:48144 ! cyclosiloxane +id: CHEBI:79059 +name: 2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:17936 ! 2-acyl-sn-glycero-3-phosphate +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:48154 -name: sulfur oxide -is_a: CHEBI:24836 ! inorganic oxide -is_a: CHEBI:26835 ! sulfur molecular entity +id: CHEBI:79063 +name: 4,4'-diapolycopenedioate +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion [Term] -id: CHEBI:48209 -name: aflatoxin B2 -is_a: CHEBI:22271 ! aflatoxin +id: CHEBI:79064 +name: 4,4'-diaponeurosporenoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:48210 -name: cyclopentafurofurochromene -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38164 ! organic heteropentacyclic compound +id: CHEBI:79065 +name: 4,4'-diaponeurosporenal +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:51688 ! enal [Term] -id: CHEBI:48218 -name: antiseptic drug -is_a: CHEBI:35441 ! antiinfective agent +id: CHEBI:79066 +name: 4-O-beta-D-glucosyl-trans-4-coumarate +is_a: CHEBI:47893 ! 4-O-beta-D-glucosyl-4-coumarate [Term] -id: CHEBI:48219 -name: disinfectant -is_a: CHEBI:33281 ! antimicrobial agent +id: CHEBI:79067 +name: 1-hexanoyl-sn-glycero-3-phosphate +is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +is_a: CHEBI:87656 ! hexanoate ester [Term] -id: CHEBI:48278 -name: serotonergic drug -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:79068 +name: crocin-1 +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:51307 ! diester +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77178 ! histological dye +relationship: has_role CHEBI:77182 ! food colouring [Term] -id: CHEBI:48279 -name: serotonergic antagonist -is_a: CHEBI:48278 ! serotonergic drug +id: CHEBI:79070 +name: hercynylselenocysteine +is_a: CHEBI:26629 ! selenoamino acid +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:4828 -name: ergothioneine +id: CHEBI:79071 +name: selenoneine is_a: CHEBI:22860 ! amino-acid betaine -is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:84076 ! L-histidine derivative relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:38161 ! chelator -relationship: has_role CHEBI:76206 ! xenobiotic metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:48318 -name: fragrance -is_a: CHEBI:33232 ! application +id: CHEBI:79072 +name: 15-ketoprostaglandin F1alpha(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:48337 -name: pyrrolopyrazine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:79074 +name: 1,2-dicapryl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:48343 -name: disulfide -is_a: CHEBI:26835 ! sulfur molecular entity +id: CHEBI:79075 +name: 1,2-dioctanoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:48354 -name: polar solvent -is_a: CHEBI:46787 ! solvent +id: CHEBI:79076 +name: 3-methyl-L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid [Term] -id: CHEBI:48355 -name: non-polar solvent -is_a: CHEBI:46787 ! solvent +id: CHEBI:79077 +name: 5-hydroxy-3-methyl-L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:33566 ! catechols [Term] -id: CHEBI:48356 -name: protic solvent -is_a: CHEBI:39141 ! Bronsted acid -is_a: CHEBI:48354 ! polar solvent +id: CHEBI:79079 +name: (4S)-4-hydroxy-L-isoleucine +is_a: CHEBI:22478 ! amino alcohol +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:84111 ! L-isoleucine derivative +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:48357 -name: aprotic solvent -is_a: CHEBI:46787 ! solvent +id: CHEBI:79080 +name: lactose 6-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:48358 -name: polar aprotic solvent -is_a: CHEBI:48354 ! polar solvent -is_a: CHEBI:48357 ! aprotic solvent +id: CHEBI:79081 +name: cyclic 2,3-bisphospho-D-glycerate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:48359 -name: protophilic solvent -is_a: CHEBI:39142 ! Bronsted base -is_a: CHEBI:48354 ! polar solvent +id: CHEBI:79082 +name: 5-methyl-1-naphthoic acid +is_a: CHEBI:25483 ! naphthoic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48360 -name: amphiprotic solvent -is_a: CHEBI:48356 ! protic solvent -is_a: CHEBI:48359 ! protophilic solvent +id: CHEBI:79083 +name: 3-hydroxy-5-methyl-1-naphthoic acid +is_a: CHEBI:25392 ! naphthols +is_a: CHEBI:25483 ! naphthoic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48376 -name: carbamimidic acid -is_a: CHEBI:48379 ! isourea -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:79084 +name: tricyclic diterpenoid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:51959 ! organic tricyclic compound [Term] -id: CHEBI:48377 -name: imidic acid -is_a: CHEBI:33241 ! oxoacid derivative -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:79091 +name: EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor +is_a: CHEBI:37699 ! protein kinase inhibitor +is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor [Term] -id: CHEBI:48378 -name: carboximidic acid -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:48377 ! imidic acid +id: CHEBI:79095 +name: N(5)-hydroxy-L-ornithine +is_a: CHEBI:21368 ! L-ornithine derivative +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:48379 -name: isourea -is_a: CHEBI:48378 ! carboximidic acid +id: CHEBI:79096 +name: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:90433 ! phosphatidylserine(18:0/18:1) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:48407 -name: antiparkinson drug -is_a: CHEBI:66956 ! antidyskinesia agent +id: CHEBI:79097 +name: 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:79098 +name: 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine + +[Term] +id: CHEBI:79099 +name: 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:17476 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine + +[Term] +id: CHEBI:791 +name: 17beta-estradiol 17-glucosiduronic acid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +is_a: CHEBI:36834 ! 3-hydroxy steroid + +[Term] +id: CHEBI:79102 +name: 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine +is_a: CHEBI:65240 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoserine [Term] -id: CHEBI:48420 -name: biphenylyltetrazole -is_a: CHEBI:22888 ! biphenyls -is_a: CHEBI:35689 ! tetrazoles +id: CHEBI:79103 +name: 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine [Term] -id: CHEBI:48422 -name: angiogenesis inhibitor -is_a: CHEBI:23888 ! drug +id: CHEBI:79109 +name: 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:48431 -name: formimidic acid -is_a: CHEBI:48378 ! carboximidic acid -is_a: CHEBI:64708 ! one-carbon compound +id: CHEBI:79110 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:48433 -name: angiotensin -is_a: CHEBI:25905 ! peptide hormone +id: CHEBI:79113 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine [Term] -id: CHEBI:48513 -name: carbazoles -is_a: CHEBI:39205 ! dibenzopyrrole +id: CHEBI:79122 +name: 2,7-dihydroxy-5-methyl-1-naphthoic acid +is_a: CHEBI:23783 ! naphthalenediols +is_a: CHEBI:25483 ! naphthoic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48526 -name: hydratropic acid -is_a: CHEBI:16333 ! 2-arylpropionic acid -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:79125 +name: 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid +is_a: CHEBI:25392 ! naphthols +is_a: CHEBI:25483 ! naphthoic acid +is_a: CHEBI:48851 ! methoxynaphthalene +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48527 -name: (S)-hydratropic acid -is_a: CHEBI:48526 ! hydratropic acid +id: CHEBI:7916 +name: pantothenic acid +is_a: CHEBI:25848 ! pantothenic acids +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:48539 -name: alpha-adrenergic drug -is_a: CHEBI:37962 ! adrenergic agent +id: CHEBI:79169 +name: 15-hydroxypentadecanoic acid +is_a: CHEBI:140997 ! omega-hydroxy-long-chain fatty acid +is_a: CHEBI:39418 ! straight-chain saturated fatty acid [Term] -id: CHEBI:48540 -name: beta-adrenergic drug -is_a: CHEBI:37962 ! adrenergic agent +id: CHEBI:79172 +name: 2-hydroxy-6-(2-oxidophenyl)-6-oxo-cis,cis-hexa-2,4-dienoate(2-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:48542 -name: deca-2,4,6,8-tetraenedioic acid -is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid +id: CHEBI:79173 +name: dTDP-2-deoxy-beta-L-fucose +is_a: CHEBI:23557 ! dTDP-sugar [Term] -id: CHEBI:48544 -name: methanesulfonates -is_a: CHEBI:33261 ! organosulfur compound +id: CHEBI:79174 +name: 2,2',3-trihydroxydiphenyl ether(2-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:48545 -name: pentapeptide -is_a: CHEBI:25676 ! oligopeptide +id: CHEBI:79176 +name: aclacinomycin S +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:51286 ! tetracenequinones +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48550 -name: EC 1.1.1.21 (aldehyde reductase) inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:79181 +name: 5,10-dihydrophenazine-1-carboxylic acid +is_a: CHEBI:33859 ! aromatic carboxylic acid +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48560 -name: dopaminergic agent -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:79182 +name: 18-hydroxyoctadecanoic acid +is_a: CHEBI:140997 ! omega-hydroxy-long-chain fatty acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid +relationship: has_role CHEBI:68495 ! apoptosis inducer [Term] -id: CHEBI:48561 -name: dopaminergic antagonist -is_a: CHEBI:48560 ! dopaminergic agent +id: CHEBI:79183 +name: 5,10-dihydro-9-dimethylallylphenazine-1-carboxylic acid +is_a: CHEBI:33859 ! aromatic carboxylic acid +is_a: CHEBI:39201 ! phenazines +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48578 -name: radical scavenger -is_a: CHEBI:22586 ! antioxidant +id: CHEBI:79185 +name: 4-O-dimethylallyl-L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative [Term] -id: CHEBI:48585 -name: heteroarylpiperidine -is_a: CHEBI:26151 ! piperidines +id: CHEBI:79186 +name: 3'-N-debenzoyl-2'-deoxytaxol(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:48589 -name: piperidones -is_a: CHEBI:26151 ! piperidines +id: CHEBI:79188 +name: (3R)-3-ammonio-3-phenylpropanoyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:48590 -name: hydroxypiperidine -is_a: CHEBI:26151 ! piperidines +id: CHEBI:79189 +name: D-ribofuranose-2,5-bisphosphate +is_a: CHEBI:35158 ! ribose bisphosphate [Term] -id: CHEBI:48597 -name: arsenate(2-) -is_a: CHEBI:22629 ! arsenate ion +id: CHEBI:79191 +name: L-Cys(IAN) zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:48600 -name: arsenate(1-) -is_a: CHEBI:22629 ! arsenate ion +id: CHEBI:79192 +name: 6-acetamido-2-oxohexanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:48626 -name: pyranoindolizinoquinoline -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38164 ! organic heteropentacyclic compound +id: CHEBI:79193 +name: 5-acetamidopentanoate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:48635 -name: fumagillin -is_a: CHEBI:133131 ! spiro-epoxide -is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:36244 ! dicarboxylic acid monoester -is_a: CHEBI:64419 ! meroterpenoid -is_a: CHEBI:87113 ! antibiotic antifungal drug -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:35820 ! antiprotozoal drug -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:48422 ! angiogenesis inhibitor -relationship: has_role CHEBI:73361 ! methionine aminopeptidase 2 inhibitor -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:79196 +name: 3-linalylflaviolin +is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:48676 -name: fibrin modulating drug -is_a: CHEBI:23888 ! drug +id: CHEBI:79200 +name: (R)-dihydrocamalexate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:48705 -name: agonist -is_a: CHEBI:52210 ! pharmacological role +id: CHEBI:79201 +name: hydroxy ketone ascaroside +is_a: CHEBI:79202 ! ascaroside [Term] -id: CHEBI:48706 -name: antagonist -is_a: CHEBI:52210 ! pharmacological role +id: CHEBI:79202 +name: ascaroside +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:35315 ! deoxy hexoside [Term] -id: CHEBI:48775 -name: cadmium(2+) -is_a: CHEBI:30412 ! monoatomic dication -is_a: CHEBI:60240 ! divalent metal cation -is_a: CHEBI:63063 ! cadmium cation +id: CHEBI:79203 +name: 1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:17476 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:487869 -name: clavulanate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:79206 +name: 1-(1Z-octadecenyl)-2-oleoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:65240 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoserine [Term] -id: CHEBI:48796 -name: iron-sulfur-molybdenum cluster -is_a: CHEBI:30408 ! iron-sulfur cluster +id: CHEBI:79207 +name: 1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:17476 ! 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:48819 -name: cyano group -is_a: CHEBI:36823 ! pseudohalo group +id: CHEBI:79208 +name: beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:63415 ! glycodiaosylceramide [Term] -id: CHEBI:48847 -name: heterocyclic fatty acid -is_a: CHEBI:5686 ! heterocyclic compound -is_a: CHEBI:59238 ! cyclic fatty acid +id: CHEBI:79209 +name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:36544 ! sialodiosylceramide [Term] -id: CHEBI:48854 -name: sulfurous acid -is_a: CHEBI:33402 ! sulfur oxoacid +id: CHEBI:79210 +name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:48871 -name: galactaric acid anion -is_a: CHEBI:24576 ! hexaric acid anion +id: CHEBI:79211 +name: 1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:65240 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoserine [Term] -id: CHEBI:48873 -name: cholinergic antagonist -is_a: CHEBI:38323 ! cholinergic drug +id: CHEBI:79213 +name: alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:36544 ! sialodiosylceramide [Term] -id: CHEBI:48876 -name: muscarinic antagonist -is_a: CHEBI:48873 ! cholinergic antagonist +id: CHEBI:79214 +name: alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:48878 -name: nicotinic antagonist -is_a: CHEBI:48873 ! cholinergic antagonist +id: CHEBI:79215 +name: alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:36544 ! sialodiosylceramide [Term] -id: CHEBI:48882 -name: (R)-atropine -is_a: CHEBI:78734 ! tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate +id: CHEBI:79216 +name: alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(3-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:48891 -name: thiazolidinone -is_a: CHEBI:35622 ! thiazolidines +id: CHEBI:79217 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:36541 ! sialotriaosylceramide [Term] -id: CHEBI:48901 -name: thiazoles -is_a: CHEBI:38106 ! organosulfur heterocyclic compound -is_a: CHEBI:68452 ! azole +id: CHEBI:79218 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:48914 -name: glucaric acid anion -is_a: CHEBI:24576 ! hexaric acid anion +id: CHEBI:79219 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:36541 ! sialotriaosylceramide [Term] -id: CHEBI:48916 -name: altraric acid anion -is_a: CHEBI:24576 ! hexaric acid anion +id: CHEBI:79220 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:48923 -name: erythromycin -is_a: CHEBI:23953 ! erythromycins -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:79221 +name: 3-sulfinopropionyl-CoA +is_a: CHEBI:17984 ! acyl-CoA relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:78298 ! environmental contaminant [Term] -id: CHEBI:48927 -name: N-acyl-L-alpha-amino acid -is_a: CHEBI:21644 ! N-acyl-L-amino acid +id: CHEBI:79222 +name: 3-sulfinopropionic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:37783 ! organosulfinic acid [Term] -id: CHEBI:48928 -name: 6-phospho-D-gluconic acid -is_a: CHEBI:35184 ! gluconic acid phosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:79274 +name: 1-hexadecyl-2-succinyl-sn-glycero-3-phosphocholine +is_a: CHEBI:138979 ! hemisuccinate +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:48929 -name: 3-carboxy-2,3-dihydroxypropanoate -is_a: CHEBI:132950 ! tartrate -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:79276 +name: 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine +is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:48937 -name: phytane -is_a: CHEBI:35190 ! diterpene +id: CHEBI:79277 +name: 1-palmityl-2-acetyl-sn-glycero-3-phosphate +is_a: CHEBI:37296 ! 1-alkyl-2-acyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:48942 -name: isovalerate -is_a: CHEBI:58951 ! short-chain fatty acid anion -is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion -is_a: CHEBI:83972 ! 3-methyl fatty acid anion -relationship: has_role CHEBI:75768 ! mammalian metabolite -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:79280 +name: 1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:36712 ! 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:48946 -name: 2-methylbutyrate -is_a: CHEBI:58951 ! short-chain fatty acid anion -is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +id: CHEBI:79283 +name: 1-hexadecyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:18244 ! 1-alkyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:48947 -name: clavulanic acid -is_a: CHEBI:64509 ! oxapenam -relationship: has_role CHEBI:35474 ! anxiolytic drug -relationship: has_role CHEBI:35625 ! EC 3.5.2.6 (beta-lactamase) inhibitor -relationship: has_role CHEBI:36047 ! antibacterial drug +id: CHEBI:79284 +name: trehalulose +is_a: CHEBI:24407 ! glycosyl glycoside +relationship: has_role CHEBI:50505 ! sweetening agent relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:48956 -name: 5-O-phosphono-D-ribofuranosyl diphosphate -is_a: CHEBI:12164 ! 5-phosphoribosyl diphosphate +id: CHEBI:79289 +name: N(5)-phenyl-L-glutamine +is_a: CHEBI:13248 ! anilide +is_a: CHEBI:24317 ! L-glutamine derivative [Term] -id: CHEBI:48958 -name: 1,1'-azobis(N,N-dimethylformamide) -is_a: CHEBI:48959 ! monoazo compound +id: CHEBI:79293 +name: 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:48959 -name: monoazo compound -is_a: CHEBI:37533 ! azo compound +id: CHEBI:79297 +name: 2-deoxy-alpha-L-fucosylaclacinomycin S +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:63571 ! trisaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:48975 -name: substituted aniline -is_a: CHEBI:22562 ! anilines +id: CHEBI:79308 +name: 1-oleyl-sn-glycero-3-phosphate +is_a: CHEBI:17106 ! 1-alkyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:48982 -name: methylquinoline -is_a: CHEBI:26513 ! quinolines +id: CHEBI:79312 +name: 18-hydroxyoleic acid +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:131869 ! hydroxy monounsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:48999 -name: 4-hydroxyphenylacetate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76946 ! fungal metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:79313 +name: glycosinolic acid +is_a: CHEBI:25704 ! organic sulfate +is_a: CHEBI:35275 ! S-glycosyl compound +is_a: CHEBI:35352 ! organonitrogen compound [Term] -id: CHEBI:490095 -name: esculetin -is_a: CHEBI:37912 ! hydroxycoumarin -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:73335 ! ultraviolet filter +id: CHEBI:79314 +name: flame retardant +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:79315 +name: alkenylglucosinolic acid +is_a: CHEBI:79316 ! glucosinolic acid + +[Term] +id: CHEBI:79316 +name: glucosinolic acid +is_a: CHEBI:136440 ! beta-D-thioglucoside +is_a: CHEBI:79313 ! glycosinolic acid relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:49016 -name: 3-(methylthio)propionate -is_a: CHEBI:59848 ! thia fatty acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:79319 +name: gluconapin +is_a: CHEBI:79315 ! alkenylglucosinolic acid [Term] -id: CHEBI:49018 -name: neuraminic acid -is_a: CHEBI:25508 ! neuraminic acids +id: CHEBI:79322 +name: thia-alkylglucosinolic acid +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:79327 ! alkylglucosinolic acid [Term] -id: CHEBI:49019 -name: 3-methylthiopropanol -is_a: CHEBI:22327 ! aliphatic sulfide -is_a: CHEBI:86315 ! methyl sulfide -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:79327 +name: alkylglucosinolic acid +is_a: CHEBI:79316 ! glucosinolic acid [Term] -id: CHEBI:49020 -name: hormone antagonist -is_a: CHEBI:48706 ! antagonist -is_a: CHEBI:51061 ! hormone receptor modulator +id: CHEBI:7933 +name: paromamine +is_a: CHEBI:38751 ! triamine +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:50994 ! primary amino compound [Term] -id: CHEBI:49022 -name: beta-neuraminic acid -is_a: CHEBI:7539 ! 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid +id: CHEBI:79332 +name: 1-alkyl-2-acyl-3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid [Term] -id: CHEBI:49023 -name: prostaglandin antagonist -is_a: CHEBI:49020 ! hormone antagonist +id: CHEBI:79333 +name: 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:4903 -name: 17alpha-ethynylestradiol -is_a: CHEBI:36834 ! 3-hydroxy steroid -is_a: CHEBI:36838 ! 17-hydroxy steroid -is_a: CHEBI:73477 ! terminal acetylenic compound -relationship: has_role CHEBI:76988 ! xenoestrogen +id: CHEBI:79337 +name: 1,2-diacyl-3-(3-O-sulfo-beta-D-galactosyl)glycerol +is_a: CHEBI:24145 ! galactoglycerolipid [Term] -id: CHEBI:49057 -name: (all-E)-deca-2,4,6,8-tetraenedioic acid -is_a: CHEBI:48542 ! deca-2,4,6,8-tetraenedioic acid +id: CHEBI:7934 +name: paromomycin +is_a: CHEBI:22479 ! amino cyclitol glycoside +is_a: CHEBI:22507 ! aminoglycoside antibiotic +relationship: has_role CHEBI:35442 ! antiparasitic agent +relationship: has_role CHEBI:35443 ! anthelminthic drug +relationship: has_role CHEBI:35820 ! antiprotozoal drug +relationship: has_role CHEBI:36047 ! antibacterial drug [Term] -id: CHEBI:49086 -name: CDP-choline(1+) -is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s +id: CHEBI:79342 +name: aralkylglucosinolic acid +is_a: CHEBI:79316 ! glucosinolic acid [Term] -id: CHEBI:49094 -name: tagatose 6-phosphate -is_a: CHEBI:24971 ! ketohexose monophosphate -relationship: has_role CHEBI:76969 ! bacterial metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:79346 +name: anionic ganglioside +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:49095 -name: beta-amino-acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:79348 +name: hydroxy-alkenylglucosinolic acid +is_a: CHEBI:79316 ! glucosinolic acid [Term] -id: CHEBI:49103 -name: drug metabolite -is_a: CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:79350 +name: xi-progoitrin +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:79348 ! hydroxy-alkenylglucosinolic acid [Term] -id: CHEBI:49104 -name: heteroarenecarbaldehyde -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:79352 +name: progoitrin +is_a: CHEBI:79350 ! xi-progoitrin [Term] -id: CHEBI:49107 -name: thiamine(2+) -is_a: CHEBI:26948 ! thiamine +id: CHEBI:79364 +name: indolylmethylglucosinolic acid +is_a: CHEBI:79316 ! glucosinolic acid [Term] -id: CHEBI:4911 -name: etoposide -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:38163 ! organic heterotetracyclic compound -is_a: CHEBI:50307 ! furonaphthodioxole -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor +id: CHEBI:79380 +name: (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:49110 -name: peripheral nervous system drug -is_a: CHEBI:23888 ! drug +id: CHEBI:79383 +name: 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:52618 ! 2-hydroxy carboxylic acid +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:49167 -name: anti-asthmatic drug -is_a: CHEBI:23888 ! drug -is_a: CHEBI:65023 ! anti-asthmatic agent +id: CHEBI:79387 +name: trivalent inorganic anion +is_a: CHEBI:24834 ! inorganic anion [Term] -id: CHEBI:49168 -name: dopa -is_a: CHEBI:24734 ! hydroxyphenylalanine -is_a: CHEBI:62761 ! tyrosine derivative -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:79388 +name: divalent inorganic anion +is_a: CHEBI:24834 ! inorganic anion [Term] -id: CHEBI:49169 -name: D-dopa -is_a: CHEBI:49168 ! dopa -is_a: CHEBI:84124 ! D-tyrosine derivative +id: CHEBI:79389 +name: monovalent inorganic anion +is_a: CHEBI:24834 ! inorganic anion [Term] -id: CHEBI:4917 -name: eugenol -is_a: CHEBI:25235 ! monomethoxybenzene -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:139492 ! sensitiser -relationship: has_role CHEBI:50904 ! allergen -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:85234 ! human blood serum metabolite +id: CHEBI:79392 +name: EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor +is_a: CHEBI:75416 ! EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor [Term] -id: CHEBI:49183 -name: phosphatidylcholine(1+) -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:79394 +name: indolmycin +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:46812 ! 1,3-oxazoles +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:79392 ! EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor [Term] -id: CHEBI:49201 -name: anti-ulcer drug -is_a: CHEBI:23888 ! drug +id: CHEBI:7940 +name: patchouli alcohol +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:38032 ! carbotricyclic compound [Term] -id: CHEBI:49202 -name: elemental platinum -is_a: CHEBI:33749 ! platinum molecular entity +id: CHEBI:79516 +name: Nonylphenol +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:49302 -name: 2-hydroxy monocarboxylic acid -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +id: CHEBI:798 +name: 19-hydroxytestosterone +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36842 ! 19-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:49318 -name: piperidine antibiotic -is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic -is_a: CHEBI:26151 ! piperidines +id: CHEBI:799 +name: 3,17-dioxoandrost-4-en-19-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:38149 ! 19-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:49319 -name: carbocyclic antibiotic -is_a: CHEBI:33598 ! carbocyclic compound -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:79985 +name: flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside] +is_a: CHEBI:63353 ! disaccharide derivative +is_a: CHEBI:72730 ! flavanone glycoside [Term] -id: CHEBI:49322 -name: anthracycline antibiotic -is_a: CHEBI:48120 ! anthracycline -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:80 +name: (-)-argemonine +is_a: CHEBI:77060 ! 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:49323 -name: contraceptive drug -is_a: CHEBI:50689 ! reproductive control drug +id: CHEBI:80029 +name: epothilone C +is_a: CHEBI:60831 ! epothilone [Term] -id: CHEBI:49432 -name: 5-hydroxyectoine -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:35359 ! carboxamidine -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:78715 ! 1,4,5,6-tetrahydropyrimidines +id: CHEBI:8005 +name: peptidoglycan +is_a: CHEBI:86469 ! peptidoglycosaminoglycan [Term] -id: CHEBI:49496 -name: gold(3+) -is_a: CHEBI:27153 ! monoatomic trication -is_a: CHEBI:33970 ! elemental gold +id: CHEBI:8028 +name: perphenazine +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:38093 ! phenothiazines +is_a: CHEBI:46845 ! N-alkylpiperazine +is_a: CHEBI:46851 ! N-(2-hydroxyethyl)piperazine +relationship: has_role CHEBI:37930 ! phenothiazine antipsychotic drug +relationship: has_role CHEBI:48561 ! dopaminergic antagonist +relationship: has_role CHEBI:50919 ! antiemetic [Term] -id: CHEBI:49537 -name: c-di-GMP -is_a: CHEBI:47037 ! cyclic purine dinucleotide -is_a: CHEBI:61295 ! guanyl ribonucleotide -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:62488 ! signalling molecule +id: CHEBI:80291 +name: aliphatic nitrile +is_a: CHEBI:18379 ! nitrile [Term] -id: CHEBI:495505 -name: dATP(3-) -is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion +id: CHEBI:80308 +name: Substance P +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:49552 -name: copper(1+) -is_a: CHEBI:23378 ! copper cation -is_a: CHEBI:25414 ! monoatomic monocation +id: CHEBI:80489 +name: desmethylxanthohumol +is_a: CHEBI:134339 ! 2-acyl-4-prenylphloroglucinol +is_a: CHEBI:23086 ! chalcones +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:49575 -name: diazepam -is_a: CHEBI:35500 ! 1,4-benzodiazepinone -is_a: CHEBI:36683 ! organochlorine compound -relationship: has_role CHEBI:35474 ! anxiolytic drug -relationship: has_role CHEBI:35623 ! anticonvulsant -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:35717 ! sedative -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:80535 +name: methyl farnesoate +is_a: CHEBI:24943 ! juvenile hormone +is_a: CHEBI:4986 ! fatty acid methyl ester +is_a: CHEBI:51702 ! enoate ester +relationship: has_role CHEBI:83039 ! crustacean metabolite [Term] -id: CHEBI:49601 -name: Fe2S2 iron-sulfur cluster -is_a: CHEBI:30408 ! iron-sulfur cluster +id: CHEBI:80536 +name: juvenile hormone III acid +is_a: CHEBI:24943 ! juvenile hormone +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid [Term] -id: CHEBI:49603 -name: lapatinib -is_a: CHEBI:24129 ! furans -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:37143 ! organofluorine compound -is_a: CHEBI:38530 ! quinazolines -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor +id: CHEBI:80545 +name: indolylmethyl desulfoglucosinolate +is_a: CHEBI:136442 ! desulfoglucosinolic acid [Term] -id: CHEBI:49637 -name: hydrogen atom -is_a: CHEBI:24835 ! inorganic molecular entity -is_a: CHEBI:25585 ! nonmetal atom -is_a: CHEBI:33559 ! s-block element atom -relationship: has_role CHEBI:33937 ! macronutrient +id: CHEBI:80651 +name: 1,2-ditetradecanoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:85721 ! diacylglycerol 28:0 [Term] -id: CHEBI:49703 -name: latrunculin B -is_a: CHEBI:25106 ! macrolide -is_a: CHEBI:46733 ! oxabicycloalkane -is_a: CHEBI:48891 ! thiazolidinone -is_a: CHEBI:59780 ! cyclic hemiketal -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:27026 ! toxin -relationship: has_role CHEBI:70728 ! actin polymerisation inhibitor +id: CHEBI:80656 +name: all-trans-4-oxoretinoic acid +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:49709 -name: chlorate -is_a: CHEBI:33437 ! chlorine oxoanion -is_a: CHEBI:79389 ! monovalent inorganic anion +id: CHEBI:80657 +name: all-trans-18-hydroxyretinoic acid +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:49713 -name: lithium(1+) -is_a: CHEBI:25414 ! monoatomic monocation -is_a: CHEBI:33504 ! alkali metal cation -is_a: CHEBI:60242 ! monovalent inorganic cation +id: CHEBI:80658 +name: 5,6-epoxyretinoic acid +is_a: CHEBI:26537 ! retinoid +is_a: CHEBI:32955 ! epoxide +relationship: has_role CHEBI:139556 ! EC 4.1.1.17 (ornithine decarboxylase) inhibitor +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:49747 -name: methylmercury(1+) -is_a: CHEBI:25322 ! methylmercury compound +id: CHEBI:80666 +name: norbelladine +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:38605 ! phenethylamine alkaloid +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:497734 -name: L-thialysine -is_a: CHEBI:27532 ! L-cysteine thioether -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor -relationship: has_role CHEBI:75190 ! EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor +id: CHEBI:80667 +name: 4'-O-methylnorbelladine +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:38605 ! phenethylamine alkaloid +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:49786 -name: nickel(2+) -is_a: CHEBI:25516 ! nickel cation -is_a: CHEBI:30412 ! monoatomic dication -is_a: CHEBI:60240 ! divalent metal cation -is_a: CHEBI:88186 ! metal cation allergen +id: CHEBI:80690 +name: Thyroglobulin triiodothyronine +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:4986 -name: fatty acid methyl ester -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:35748 ! fatty acid ester +id: CHEBI:8075 +name: phenoxyacetic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:35219 ! plant growth retardant +relationship: has_role CHEBI:76956 ! Aspergillus metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:49870 -name: antimonous acid -is_a: CHEBI:36920 ! antimony oxoacid +id: CHEBI:80774 +name: tauroursodeoxycholic acid +is_a: CHEBI:23219 ! bile acid taurine conjugate +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:68494 ! apoptosis inhibitor +relationship: has_role CHEBI:77307 ! cardioprotective agent +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:49900 -name: arsenous acid -is_a: CHEBI:33407 ! arsenic oxoacid +id: CHEBI:80788 +name: 1,4-cineole +is_a: CHEBI:23243 ! cineole +is_a: CHEBI:46733 ! oxabicycloalkane +relationship: has_role CHEBI:35488 ! central nervous system depressant +relationship: has_role CHEBI:39277 ! fumigant insecticide +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:49957 -name: xenon atom -is_a: CHEBI:33309 ! noble gas atom -is_a: CHEBI:33560 ! p-block element atom +id: CHEBI:8087 +name: N(2)-phenylacetylglutamine +is_a: CHEBI:35735 ! dicarboxylic acid monoamide [Term] -id: CHEBI:50007 -name: antimony coordination entity -is_a: CHEBI:36919 ! antimony molecular entity +id: CHEBI:80946 +name: 3-octanone +is_a: CHEBI:18044 ! dialkyl ketone +relationship: has_role CHEBI:22583 ! antifeedant +relationship: has_role CHEBI:24850 ! insect attractant +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:5001 -name: fenofibrate -is_a: CHEBI:23135 ! chlorobenzophenone -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:35725 ! isopropyl ester -is_a: CHEBI:83403 ! monochlorobenzenes -relationship: has_role CHEBI:35679 ! antilipemic drug -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:80992 +name: thiohydroximic acid +is_a: CHEBI:33261 ! organosulfur compound +is_a: CHEBI:35352 ! organonitrogen compound +is_a: CHEBI:36963 ! organooxygen compound [Term] -id: CHEBI:50018 -name: glycosyloxyflavone -is_a: CHEBI:24043 ! flavones -is_a: CHEBI:24400 ! glycoside +id: CHEBI:8100 +name: 3-phenyllactate +is_a: CHEBI:58896 ! 2-hydroxy carboxylate [Term] -id: CHEBI:50047 -name: organic amino compound -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:50860 ! organic molecular entity -relationship: has_role CHEBI:39142 ! Bronsted base +id: CHEBI:81013 +name: 7alpha,25-dihydroxy-4-cholesten-3-one +is_a: CHEBI:131619 ! C27-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:50048 -name: phenylethylamine -is_a: CHEBI:32877 ! primary amine +id: CHEBI:81014 +name: 3beta-hydroxycholest-5-en-26-oic acid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50062 -name: pimaradiene -is_a: CHEBI:35190 ! diterpene +id: CHEBI:81021 +name: nocardicin C +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:50695 ! monobactam +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50063 -name: ent-pimara-8(14),15-diene -is_a: CHEBI:50062 ! pimaradiene +id: CHEBI:81022 +name: isonocardicin C +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35692 ! dicarboxylic acid +is_a: CHEBI:50695 ! monobactam +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50072 -name: abietadiene -is_a: CHEBI:35190 ! diterpene +id: CHEBI:81024 +name: nocardicin G +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:50695 ! monobactam +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50091 -name: S-nitrosoglutathione -is_a: CHEBI:24337 ! glutathione derivative +id: CHEBI:8108 +name: pheophytin +is_a: CHEBI:38252 ! phorbines [Term] -id: CHEBI:50103 -name: excitatory amino acid agonist -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:8113 +name: phlorizin +is_a: CHEBI:28749 ! aryl beta-D-glucoside +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:71230 ! dihydrochalcones +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50112 -name: sex hormone -is_a: CHEBI:24621 ! hormone +id: CHEBI:8116 +name: phorbol +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:52557 ! tetracyclic diterpenoid [Term] -id: CHEBI:50113 -name: androgen -is_a: CHEBI:50112 ! sex hormone +id: CHEBI:81200 +name: (S)-corytuberine +is_a: CHEBI:134209 ! aporphine alkaloid +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50114 -name: estrogen -is_a: CHEBI:50112 ! sex hormone +id: CHEBI:81240 +name: ursocholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:27114 ! trihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:35349 ! 7beta-hydroxy steroid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:138390 ! EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:50121 -name: 1,2-thiazolidine -is_a: CHEBI:38333 ! thiazolidine +id: CHEBI:81243 +name: alpha-muricholic acid +is_a: CHEBI:134216 ! muricholic acids +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid [Term] -id: CHEBI:50126 -name: tetrasaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:81244 +name: hyocholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:134216 ! muricholic acids +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:50127 -name: trifluoromethyl group -is_a: CHEBI:50491 ! haloalkyl group +id: CHEBI:81253 +name: isolithocholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:50141 -name: bronchoconstrictor agent -is_a: CHEBI:23888 ! drug +id: CHEBI:81276 +name: allodeoxycholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:138365 ! allo-bile acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:50160 -name: steroid acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:81298 +name: beta-muricholic acid +is_a: CHEBI:134216 ! muricholic acids +is_a: CHEBI:35349 ! 7beta-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid [Term] -id: CHEBI:5017 -name: ferredoxin -is_a: CHEBI:35135 ! iron-sulfur protein -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:81308 +name: allocholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:138365 ! allo-bile acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:50176 -name: keratolytic drug -is_a: CHEBI:50177 ! dermatologic drug +id: CHEBI:81403 +name: 2-phosphinomethylmalic acid +is_a: CHEBI:26044 ! phosphinic acids +is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50177 -name: dermatologic drug -is_a: CHEBI:23888 ! drug +id: CHEBI:81405 +name: N-Acetyldemethylphosphinothricin +is_a: CHEBI:51569 ! N-acyl-amino acid [Term] -id: CHEBI:50183 -name: P450 inhibitor -is_a: CHEBI:76898 ! EC 1.14.14.1 (unspecific monooxygenase) inhibitor +id: CHEBI:81461 +name: dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50188 -name: provitamin -is_a: CHEBI:24432 ! biological role +id: CHEBI:81462 +name: dTDP-4-amino-2,3,4,6-tetradeoxy-alpha-D-glucose +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:5019 -name: ferrichrome -is_a: CHEBI:61414 ! ferrichromes -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:81463 +name: dTDP-alpha-D-forosamine +is_a: CHEBI:61109 ! pyrimidine nucleotide-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50211 -name: retinol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:26537 ! retinoid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:81467 +name: 7alpha-hydroxypregnenolone +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:61313 ! C21-steroid +relationship: has_role CHEBI:48560 ! dopaminergic agent +relationship: has_role CHEBI:66980 ! nootropic agent +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:50218 -name: EC 3.1.4.* (phosphoric diester hydrolase) inhibitor -is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor +id: CHEBI:81471 +name: 7alpha-hydroxydehydroepiandrosterone +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:50247 -name: antidote -is_a: CHEBI:50267 ! protective agent +id: CHEBI:81474 +name: N-Acetyl-alpha-D-hexosamine 1-phosphate +is_a: CHEBI:33447 ! phospho sugar [Term] -id: CHEBI:50248 -name: hematologic agent -is_a: CHEBI:23888 ! drug +id: CHEBI:81481 +name: 11beta-hydroxytestosterone +is_a: CHEBI:131621 ! C19-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:50249 -name: anticoagulant -is_a: CHEBI:50248 ! hematologic agent +id: CHEBI:81485 +name: osthenol +is_a: CHEBI:37912 ! hydroxycoumarin +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50263 -name: 2-hydroxydicarboxylic acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:81544 +name: 3-(1-hydroxyethyl)bacteriochlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50266 -name: prodrug -is_a: CHEBI:136859 ! pro-agent -is_a: CHEBI:23888 ! drug +id: CHEBI:81545 +name: 3-(1-hydroxyethyl)chlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50267 -name: protective agent -is_a: CHEBI:23888 ! drug +id: CHEBI:81546 +name: bacteriochlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50268 -name: GABA modulator -is_a: CHEBI:38632 ! membrane transport modulator -is_a: CHEBI:51374 ! GABA agent +id: CHEBI:81548 +name: 3-vinylbacteriochlorophyllide d +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:38206 ! chlorophyllide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50274 -name: secoiridoid glycoside -is_a: CHEBI:139166 ! secoiridoid -is_a: CHEBI:61777 ! terpene glycoside +id: CHEBI:81551 +name: bacteriochlorophyllide d +is_a: CHEBI:38206 ! chlorophyllide [Term] -id: CHEBI:50276 -name: EC 5.99.1.2 (DNA topoisomerase) inhibitor -is_a: CHEBI:70727 ! topoisomerase inhibitor +id: CHEBI:81552 +name: bacteriochlorophyllide c +is_a: CHEBI:38206 ! chlorophyllide [Term] -id: CHEBI:50277 -name: farnesyl diphosphate -is_a: CHEBI:24018 ! farnesyl phosphate -is_a: CHEBI:37531 ! polyprenol diphosphate +id: CHEBI:81559 +name: resolvin E1 +is_a: CHEBI:132120 ! resolvin +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:27136 ! triol +is_a: CHEBI:61703 ! nonclassic icosanoid +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:50297 -name: canonical nucleotide residue -is_a: CHEBI:50319 ! nucleotide residue +id: CHEBI:81563 +name: 18(R)-HEPE +is_a: CHEBI:72802 ! 18-HEPE +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:50298 -name: canonical deoxyribonucleotide residue -is_a: CHEBI:50297 ! canonical nucleotide residue +id: CHEBI:81564 +name: resolvin D1 +is_a: CHEBI:132120 ! resolvin +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:27136 ! triol +relationship: has_role CHEBI:67079 ! anti-inflammatory agent [Term] -id: CHEBI:50299 -name: canonical ribonucleotide residue -is_a: CHEBI:50297 ! canonical nucleotide residue +id: CHEBI:81565 +name: resolvin D2 +is_a: CHEBI:132120 ! resolvin +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:27136 ! triol +relationship: has_role CHEBI:63951 ! estrogen receptor agonist +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:74518 ! anti-obesity agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:50305 -name: podophyllotoxin -is_a: CHEBI:25036 ! lignan -is_a: CHEBI:38163 ! organic heterotetracyclic compound -is_a: CHEBI:50307 ! furonaphthodioxole -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50176 ! keratolytic drug -relationship: has_role CHEBI:60832 ! tubulin modulator -relationship: has_role CHEBI:61951 ! microtubule-destabilising agent -relationship: has_role CHEBI:64911 ! antimitotic -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:81567 +name: thyroid stimulating hormone +is_a: CHEBI:17089 ! glycoprotein [Term] -id: CHEBI:50307 -name: furonaphthodioxole -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:38163 ! organic heterotetracyclic compound +id: CHEBI:81646 +name: Pretetramid +is_a: CHEBI:26895 ! tetracyclines [Term] -id: CHEBI:50312 -name: onium compound -is_a: CHEBI:37577 ! heteroatomic molecular entity +id: CHEBI:81666 +name: 4-methyl-5-nitrocatechol +is_a: CHEBI:25566 ! nitrotoluene +is_a: CHEBI:33566 ! catechols +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:50313 -name: onium cation -is_a: CHEBI:50312 ! onium compound +id: CHEBI:81667 +name: 2-hydroxy-5-methylquinone +is_a: CHEBI:67273 ! monohydroxy-1,4-benzoquinones [Term] -id: CHEBI:50314 -name: fluoronium -is_a: CHEBI:50313 ! onium cation +id: CHEBI:81671 +name: (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-decaprenyl diphosphate +is_a: CHEBI:53043 ! decaprenyl diphosphate [Term] -id: CHEBI:50315 -name: chloronium -is_a: CHEBI:50313 ! onium cation +id: CHEBI:81672 +name: (2S)-methylsuccinyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:50317 -name: iodonium -is_a: CHEBI:50313 ! onium cation +id: CHEBI:81873 +name: 12-deoxynogalonic acid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:46955 ! anthracenes +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50319 -name: nucleotide residue -is_a: CHEBI:33247 ! organic group +id: CHEBI:81874 +name: nogalaviketone +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:51270 ! tetracenes +is_a: CHEBI:51286 ! tetracenequinones +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50320 -name: nucleoside residue -is_a: CHEBI:33247 ! organic group +id: CHEBI:8191 +name: all-trans-phytoene +is_a: CHEBI:26119 ! phytoene +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50325 -name: proteinogenic amino-acid side-chain group -is_a: CHEBI:33249 ! organyl group +id: CHEBI:8210 +name: pimara-8(14),15-diene +is_a: CHEBI:50062 ! pimaradiene [Term] -id: CHEBI:50326 -name: sulfanylmethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82204 +name: (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:64274 ! 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one [Term] -id: CHEBI:50327 -name: selanylmethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82207 +name: (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one +is_a: CHEBI:64274 ! 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one [Term] -id: CHEBI:50329 -name: 2-carboxyethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:8225 +name: pinoresinol +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:47790 ! furofuran [Term] -id: CHEBI:50330 -name: 2-amino-2-oxoethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82605 +name: 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:50331 -name: 3-amino-3-oxopropyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82606 +name: 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:50334 -name: pyridinium ion -is_a: CHEBI:25697 ! organic cation +id: CHEBI:82607 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:50335 -name: organic nitrogen anion -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:82608 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:50336 -name: 4-hydroxybenzyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82609 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:50337 -name: 1H-indol-3-ylmethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82610 +name: 6-linalyl-2-O,3-dimethylflaviolin +is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:47985 ! enol ether +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50338 -name: 1H-imidazol-4-ylmethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82612 +name: S-methyl-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:50339 -name: 4-aminobutyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82620 +name: L-tyrosine-O-phosphate(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:50340 -name: 3-carbamimidamidopropyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82626 +name: 15(R)-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion [Term] -id: CHEBI:50341 -name: 1-hydroxyethyl group -is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group +id: CHEBI:82627 +name: 15(R)-HPETE +is_a: CHEBI:24644 ! HPETE [Term] -id: CHEBI:50367 -name: taxane diterpenoid -is_a: CHEBI:23849 ! diterpenoid +id: CHEBI:82628 +name: 11(R)-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion [Term] -id: CHEBI:50370 -name: parasympatholytic -is_a: CHEBI:48873 ! cholinergic antagonist +id: CHEBI:82629 +name: prostaglandin G2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +is_a: CHEBI:62933 ! oxylipin anion [Term] -id: CHEBI:50383 -name: nicotinamide mononucleotide -is_a: CHEBI:25527 ! nicotinamide nucleotide -is_a: CHEBI:26561 ! ribonucleotide +id: CHEBI:82631 +name: N-threonyl-glycosylphosphatidylinositolethanolamine +is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine [Term] -id: CHEBI:50387 -name: tuberculosinol -is_a: CHEBI:23849 ! diterpenoid +id: CHEBI:82632 +name: phytochrome chromophore +is_a: CHEBI:23240 ! chromophore [Term] -id: CHEBI:50390 -name: EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor -is_a: CHEBI:76866 ! EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor +id: CHEBI:82633 +name: N-acetyl-alpha-neuraminosyl-(2->3)-D-galactosylceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:50398 -name: succinamic acid -is_a: CHEBI:35735 ! dicarboxylic acid monoamide -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:82635 +name: 4-nitrophenyl acetate +is_a: CHEBI:140310 ! phenyl acetates +is_a: CHEBI:48109 ! nitrobenzenes [Term] -id: CHEBI:50401 -name: cholestanoid -is_a: CHEBI:35341 ! steroid +id: CHEBI:82637 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:50402 -name: androstanoid -is_a: CHEBI:35341 ! steroid +id: CHEBI:82639 +name: alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:50403 -name: ergostanoid -is_a: CHEBI:35341 ! steroid +id: CHEBI:82657 +name: deoxyhypusine(2+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:50404 -name: lipoprotein cholesterol -is_a: CHEBI:50401 ! cholestanoid +id: CHEBI:82663 +name: elemental iron +is_a: CHEBI:24873 ! iron molecular entity +is_a: CHEBI:33259 ! elemental molecular entity [Term] -id: CHEBI:50406 -name: probe -is_a: CHEBI:33232 ! application +id: CHEBI:82678 +name: 3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid +is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid [Term] -id: CHEBI:50408 -name: visual indicator -is_a: CHEBI:47867 ! indicator +id: CHEBI:82679 +name: 7-oxolithocholic acid +is_a: CHEBI:25753 ! oxo-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid +is_a: CHEBI:36835 ! 3alpha-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:50410 -name: colour indicator -is_a: CHEBI:50408 ! visual indicator +id: CHEBI:82680 +name: monounsaturated fatty acid anion +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:50411 -name: one-colour indicator -is_a: CHEBI:50410 ! colour indicator +id: CHEBI:82681 +name: 3-methoxy-5-methyl-1-naphthoic acid +is_a: CHEBI:25483 ! naphthoic acid +is_a: CHEBI:35618 ! aromatic ether +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50413 -name: hydroxyaldehyde -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:82682 +name: vitexin 2''-O-beta-L-rhamnoside +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:27116 ! trihydroxyflavone +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50427 -name: platelet aggregation inhibitor -is_a: CHEBI:50248 ! hematologic agent +id: CHEBI:82683 +name: O-[2'-(5-phosphoribosyl)-3'-dephospho-CoA]-L-serine(3-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:50441 -name: N-substituted diamine -is_a: CHEBI:23666 ! diamine +id: CHEBI:82684 +name: 7-O-methylvitexin 2''-O-beta-L-rhamnoside +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:25401 ! monomethoxyflavone +is_a: CHEBI:38686 ! dihydroxyflavone +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50448 -name: naphthylamine -is_a: CHEBI:38034 ! aminonaphthalene -is_a: CHEBI:50471 ! primary arylamine +id: CHEBI:82685 +name: Mo(=O)(=S)-molybdopterin cofactor(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:50450 -name: 1-naphthylamine -is_a: CHEBI:50448 ! naphthylamine -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:82687 +name: 5-(2-hydroxyethyl)-1,3-thiazole +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:38418 ! 1,3-thiazoles [Term] -id: CHEBI:50471 -name: primary arylamine -is_a: CHEBI:32877 ! primary amine -is_a: CHEBI:33860 ! aromatic amine +id: CHEBI:82693 +name: 2-[(3S)-3-carboxylato-3-(methylammonio)propyl]-L-histidine residue +is_a: CHEBI:64768 ! zwitterionic group +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:50477 -name: butyrate ester -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:35748 ! fatty acid ester +id: CHEBI:82695 +name: 2-[(3S)-3-carboxylato-3-(dimethylammonio)propyl]-L-histidine residue +is_a: CHEBI:73745 ! 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine residue [Term] -id: CHEBI:50491 -name: haloalkyl group -is_a: CHEBI:33249 ! organyl group +id: CHEBI:82696 +name: diphthine betaine residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:50492 -name: thiocarbonyl compound -is_a: CHEBI:33261 ! organosulfur compound -relationship: has_part CHEBI:30256 ! thiocarbonyl group +id: CHEBI:82697 +name: N-(ADP-D-ribosyl)diphthamide(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:50502 -name: EC 2.5.1.15 (dihydropteroate synthase) inhibitor -is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor +id: CHEBI:82703 +name: N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide(1-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:50503 -name: laxative -is_a: CHEBI:23888 ! drug +id: CHEBI:82705 +name: hercynylselenocysteine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:50505 -name: sweetening agent -is_a: CHEBI:35617 ! flavouring agent +id: CHEBI:82706 +name: hercynylcysteine sulfoxide zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:50509 -name: potassium channel blocker -is_a: CHEBI:50510 ! potassium channel modulator +id: CHEBI:82707 +name: ergothioneine thione form +is_a: CHEBI:139340 ! 1,3-dihydroimidazole-2-thiones +is_a: CHEBI:22860 ! amino-acid betaine +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:76206 ! xenobiotic metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:50510 -name: potassium channel modulator -is_a: CHEBI:38632 ! membrane transport modulator +id: CHEBI:82710 +name: S-alkyl-L-cysteine zwitterion +is_a: CHEBI:58717 ! S-substituted L-cysteine zwitterion [Term] -id: CHEBI:50511 -name: bipyridines -is_a: CHEBI:36820 ! ring assembly -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:64459 ! biaryl +id: CHEBI:82711 +name: aryl thiol +is_a: CHEBI:29256 ! thiol [Term] -id: CHEBI:50513 -name: mydriatic agent -is_a: CHEBI:23888 ! drug +id: CHEBI:82728 +name: S-(5-histidyl)cysteine sulfoxide dizwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:50514 -name: vasoconstrictor agent -is_a: CHEBI:35554 ! cardiovascular drug +id: CHEBI:8273 +name: plumbagin +is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:50249 ! anticoagulant +relationship: has_role CHEBI:50847 ! immunological adjuvant [Term] -id: CHEBI:50521 -name: N-methylnicotinic acid -is_a: CHEBI:50334 ! pyridinium ion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:82730 +name: (7Z)-hexadecenoate +is_a: CHEBI:78095 ! hexadecenoate [Term] -id: CHEBI:50523 -name: butenolide -is_a: CHEBI:24129 ! furans -is_a: CHEBI:37581 ! gamma-lactone +id: CHEBI:82732 +name: N-hexadecanoylsphinganine-1-phosphoethanolamine +is_a: CHEBI:82734 ! N-acylsphinganine-1-phosphoethanolamine [Term] -id: CHEBI:50524 -name: catecholate(1-) -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:82734 +name: N-acylsphinganine-1-phosphoethanolamine +is_a: CHEBI:73204 ! ceramide phosphoethanolamine [Term] -id: CHEBI:50525 -name: phenolate anion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:82735 +name: O-[S-(6-methoxycarbonylhexanoyl)pantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:50526 -name: phenolate -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:82736 +name: N-acylphytosphingosine-1-phosphoethanolamine +is_a: CHEBI:73204 ! ceramide phosphoethanolamine [Term] -id: CHEBI:50533 -name: protein denaturant -is_a: CHEBI:33232 ! application +id: CHEBI:82737 +name: N-hexadecanoylphytosphingosine-1-phosphoethanolamine +is_a: CHEBI:82736 ! N-acylphytosphingosine-1-phosphoethanolamine [Term] -id: CHEBI:50562 -name: tartrate salt -is_a: CHEBI:24868 ! organic salt +id: CHEBI:82740 +name: (5Z,11Z,14Z)-icosatrienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:50563 -name: iridoid monoterpenoid -is_a: CHEBI:25409 ! monoterpenoid +id: CHEBI:82741 +name: (5Z,11Z,14Z,17Z)-icosatetraenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:50566 -name: nitric oxide donor -is_a: CHEBI:17891 ! donor +id: CHEBI:82742 +name: (8Z,11Z)-icosadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:50582 -name: alkenyl alcohol -is_a: CHEBI:2571 ! aliphatic alcohol -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:82743 +name: 5-methylaminomethyl-2-selenouridine 5'-monophosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:50584 -name: alkyl alcohol -is_a: CHEBI:2571 ! aliphatic alcohol +id: CHEBI:82744 +name: aliphatic aldoxime +is_a: CHEBI:22307 ! aldoxime [Term] -id: CHEBI:506227 -name: N-acetyl-D-glucosamine -is_a: CHEBI:21601 ! N-acetyl-D-hexosamine -is_a: CHEBI:59640 ! N-acetylglucosamine -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:82745 +name: (9Z,12Z)-tetradecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:50629 -name: cyclooxygenase 2 inhibitor -is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor +id: CHEBI:82746 +name: (9Z,12Z)-pentadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:50630 -name: cyclooxygenase 1 inhibitor -is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor +id: CHEBI:82747 +name: (9Z,12Z)-heptadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:50646 -name: bone density conservation agent -is_a: CHEBI:23888 ! drug +id: CHEBI:82748 +name: cytidine 5'-monophosphate(1-) residue +is_a: CHEBI:90675 ! ribonucleotide residue(1-) [Term] -id: CHEBI:50648 -name: 9-cis-retinoic acid -is_a: CHEBI:26536 ! retinoic acid -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50176 ! keratolytic drug -relationship: has_role CHEBI:63794 ! retinoid X receptor agonist +id: CHEBI:82750 +name: cholesteryl stearate +is_a: CHEBI:17002 ! cholesteryl ester +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:50660 -name: 7-deazaguanine ribonucleoside -is_a: CHEBI:18254 ! ribonucleoside +id: CHEBI:82751 +name: cholesteryl arachidonate +is_a: CHEBI:132006 ! cholesteryl icosatetraenoate +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:50671 -name: antithyroid drug -is_a: CHEBI:49020 ! hormone antagonist +id: CHEBI:82753 +name: 1-oleoyl-sn-glycero-3-phospho-D-myo-inositol +is_a: CHEBI:64930 ! 1-acyl-sn-glycero-3-phospho-1D-myo-inositol [Term] -id: CHEBI:50674 -name: chitobioses -is_a: CHEBI:22480 ! amino disaccharide +id: CHEBI:82757 +name: 2-hydroxy-5-methyl-1-naphthoate +is_a: CHEBI:25482 ! naphthoate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50675 -name: beta-D-glucosaminyl-(1->4)-D-glucosamine -is_a: CHEBI:50674 ! chitobioses +id: CHEBI:82759 +name: (S)-3-acetyloctanal +is_a: CHEBI:24960 ! ketoaldehyde [Term] -id: CHEBI:50680 -name: methotrexate(1-) -is_a: CHEBI:35695 ! dicarboxylic acid monoanion +id: CHEBI:82762 +name: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:74577 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:50681 -name: methotrexate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:82763 +name: 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:75112 ! 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:50683 -name: EC 1.5.1.3 (dihydrofolate reductase) inhibitor -is_a: CHEBI:73913 ! antifolate -is_a: CHEBI:76863 ! EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor +id: CHEBI:82764 +name: O-[S-2-methylbutanoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:50684 -name: cross-linking reagent -is_a: CHEBI:33893 ! reagent +id: CHEBI:82765 +name: 1,2-dioctanoyl-sn-glycerol 3-diphosphate(3-) +is_a: CHEBI:59996 ! 1,2-diacyl-sn-glycerol 3-diphosphate(3-) [Term] -id: CHEBI:50689 -name: reproductive control drug -is_a: CHEBI:23888 ! drug +id: CHEBI:82766 +name: 2-O-(alpha-D-glucopyranosyl)glycerol +is_a: CHEBI:22390 ! alpha-D-glucoside +is_a: CHEBI:24287 ! glucosylglycerol +relationship: has_role CHEBI:25728 ! osmolyte +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50691 -name: abortifacient -is_a: CHEBI:50689 ! reproductive control drug +id: CHEBI:82767 +name: 4-(5-O-phosphonato-beta-D-ribofuranosyl)phenol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:50699 -name: oligosaccharide -is_a: CHEBI:16646 ! carbohydrate +id: CHEBI:82768 +name: caldopentamine(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:50707 -name: homomethionine -is_a: CHEBI:26834 ! sulfur-containing amino acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:82769 +name: caldopentamine(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:50715 -name: methylnaphthalene -is_a: CHEBI:25477 ! naphthalenes +id: CHEBI:82770 +name: N(4)-aminopropylspermidine(4+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50723 -name: (Z)-phenylacetaldehyde oxime -is_a: CHEBI:47791 ! phenylacetaldehyde oxime +id: CHEBI:82771 +name: N(4)-bis(aminopropyl)spermidine(5+) +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50733 -name: nutraceutical -is_a: CHEBI:23888 ! drug +id: CHEBI:82772 +name: N(4)-aminopropylspermine(5+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:507393 -name: taurine zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:82773 +name: (R)-3-phosphonatomevalonate(3-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:50745 -name: progestogen -is_a: CHEBI:50112 ! sex hormone +id: CHEBI:82774 +name: (R)-3,5-bisphosphonatomevalonate(5-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:50748 -name: antipsoriatic -is_a: CHEBI:50177 ! dermatologic drug +id: CHEBI:82775 +name: 5'-deoxyinosine +is_a: CHEBI:24844 ! inosines +is_a: CHEBI:36988 ! 5'-deoxyribonucleoside +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50750 -name: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor -is_a: CHEBI:70727 ! topoisomerase inhibitor +id: CHEBI:82795 +name: gamma-methyl L-glutamate residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:50753 -name: isoflavonoid -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:38443 ! 1-benzopyran -is_a: CHEBI:72544 ! flavonoids +id: CHEBI:82798 +name: cembrene C +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:36402 ! cycloalkatriene +is_a: CHEBI:51026 ! macrocycle +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50779 -name: appetite enhancer -is_a: CHEBI:50780 ! appetite regulator +id: CHEBI:82799 +name: (R)-nephthenol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:51026 ! macrocycle +is_a: CHEBI:60687 ! cembrane diterpenoid +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76498 ! coral metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:5078 -name: flavonol -is_a: CHEBI:28802 ! flavonols -is_a: CHEBI:38687 ! monohydroxyflavone +id: CHEBI:82800 +name: (R)-cembrene A +is_a: CHEBI:35190 ! diterpene +is_a: CHEBI:36402 ! cycloalkatriene +is_a: CHEBI:51026 ! macrocycle +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76498 ! coral metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50780 -name: appetite regulator -is_a: CHEBI:23888 ! drug +id: CHEBI:82801 +name: (1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36402 ! cycloalkatriene +is_a: CHEBI:51026 ! macrocycle +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:50790 -name: EC 1.14.14.14 (aromatase) inhibitor -is_a: CHEBI:76838 ! EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor +id: CHEBI:82803 +name: opine +is_a: CHEBI:36963 ! organooxygen compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:50830 -name: fluorinated steroid -is_a: CHEBI:35341 ! steroid -is_a: CHEBI:37143 ! organofluorine compound +id: CHEBI:82810 +name: N-palmitoylhexadecasphinganine +is_a: CHEBI:82881 ! N-acylhexadecasphinganine [Term] -id: CHEBI:50846 -name: immunomodulator -is_a: CHEBI:23888 ! drug -is_a: CHEBI:24432 ! biological role +id: CHEBI:82811 +name: N-stearoylhexadecasphinganine +is_a: CHEBI:137568 ! Cer(d34:0) +is_a: CHEBI:82881 ! N-acylhexadecasphinganine [Term] -id: CHEBI:50847 -name: immunological adjuvant -is_a: CHEBI:50846 ! immunomodulator -is_a: CHEBI:60809 ! adjuvant +id: CHEBI:82815 +name: 3-(methylthio)propanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:50855 -name: antiatherogenic agent -is_a: CHEBI:35554 ! cardiovascular drug +id: CHEBI:82827 +name: oleanolic aldehyde +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:50413 ! hydroxyaldehyde +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50857 -name: anti-allergic agent -is_a: CHEBI:23888 ! drug +id: CHEBI:82828 +name: oleanolate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:50858 -name: corticosteroid -is_a: CHEBI:35341 ! steroid +id: CHEBI:82829 +name: sphinganine-based sphingolipid +is_a: CHEBI:26739 ! sphingolipid [Term] -id: CHEBI:50860 -name: organic molecular entity -is_a: CHEBI:33582 ! carbon group molecular entity -relationship: has_part CHEBI:27594 ! carbon atom +id: CHEBI:82830 +name: sphingosine-based sphingolipid +is_a: CHEBI:26739 ! sphingolipid [Term] -id: CHEBI:50887 -name: haloarene -is_a: CHEBI:24472 ! halohydrocarbon +id: CHEBI:82831 +name: queuosine 5'-phosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:50893 -name: azaarene -is_a: CHEBI:33833 ! heteroarene -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:82833 +name: 7-aminomethyl-7-carbaguanine 5'-phosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:50902 -name: genotoxin -is_a: CHEBI:52209 ! aetiopathogenetic role +id: CHEBI:82834 +name: epoxyqueuosine 5'-phosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:50903 -name: carcinogenic agent -is_a: CHEBI:52209 ! aetiopathogenetic role +id: CHEBI:82836 +name: (9Z)-hexacosenoic acid +is_a: CHEBI:78865 ! hexacosenoic acid [Term] -id: CHEBI:50904 -name: allergen -is_a: CHEBI:52209 ! aetiopathogenetic role +id: CHEBI:82837 +name: 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:50905 -name: teratogenic agent -is_a: CHEBI:52209 ! aetiopathogenetic role +id: CHEBI:82839 +name: 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:50906 -name: role +id: CHEBI:82840 +name: 1-oleoyl-2-myristoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:50908 -name: hepatotoxic agent -is_a: CHEBI:52209 ! aetiopathogenetic role +id: CHEBI:82841 +name: N-octanoyldihydrosphingosine +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:50909 -name: nephrotoxic agent -is_a: CHEBI:52209 ! aetiopathogenetic role +id: CHEBI:82842 +name: N-octanoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine [Term] -id: CHEBI:50910 -name: neurotoxin -is_a: CHEBI:52209 ! aetiopathogenetic role -is_a: CHEBI:64909 ! poison +id: CHEBI:82844 +name: UDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose +is_a: CHEBI:35262 ! UDP-amino sugar [Term] -id: CHEBI:50914 -name: EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor -is_a: CHEBI:50916 ! lipid kinase inhibitor -is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor +id: CHEBI:82845 +name: UDP-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine +is_a: CHEBI:137952 ! UDP-2,3-diacyl-alpha-D-glucosamine [Term] -id: CHEBI:50916 -name: lipid kinase inhibitor -is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor +id: CHEBI:82848 +name: 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) +is_a: CHEBI:37393 ! 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate [Term] -id: CHEBI:50918 -name: pyrroloquinoline -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:82849 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate) +is_a: CHEBI:16500 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:50919 -name: antiemetic -is_a: CHEBI:23888 ! drug +id: CHEBI:82850 +name: 7-cyano-7-carbaguanine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:50925 -name: EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor -is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor +id: CHEBI:82852 +name: inosine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:50949 -name: serotonin uptake inhibitor -is_a: CHEBI:48278 ! serotonergic drug +id: CHEBI:82869 +name: (24S)-24-hydroxycholesterol ester +is_a: CHEBI:35915 ! sterol ester +is_a: CHEBI:36865 ! 24-hydroxy steroid [Term] -id: CHEBI:50955 -name: arsonic acids -is_a: CHEBI:33407 ! arsenic oxoacid +id: CHEBI:82875 +name: (24S)-24-hydroxycholesterol 3-linoleoate +is_a: CHEBI:35915 ! sterol ester +is_a: CHEBI:36865 ! 24-hydroxy steroid [Term] -id: CHEBI:50967 -name: non-covalently-bound molecular entity -is_a: CHEBI:36357 ! polyatomic entity +id: CHEBI:82881 +name: N-acylhexadecasphinganine +is_a: CHEBI:139048 ! dihydroceramide [Term] -id: CHEBI:50981 -name: secondary aliphatic amine -is_a: CHEBI:32863 ! secondary amine +id: CHEBI:82883 +name: nucleotide 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:50994 -name: primary amino compound -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:82891 +name: glucocorticoid receptor antagonist +is_a: CHEBI:48706 ! antagonist [Term] -id: CHEBI:50995 -name: secondary amino compound -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:82892 +name: 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole +is_a: CHEBI:23697 ! dichlorobenzene +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:25698 ! ether [Term] -id: CHEBI:50996 -name: tertiary amino compound -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:82894 +name: (R)-miconazole +is_a: CHEBI:82892 ! 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole [Term] -id: CHEBI:51006 -name: unsaturated fatty acyl-CoA -is_a: CHEBI:37554 ! fatty acyl-CoA +id: CHEBI:82897 +name: (S)-miconazole +is_a: CHEBI:82892 ! 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole [Term] -id: CHEBI:51013 -name: beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer -is_a: CHEBI:36541 ! sialotriaosylceramide -is_a: CHEBI:79217 ! N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:8290 +name: Poly(G) +is_a: CHEBI:60027 ! polymer [Term] -id: CHEBI:51026 -name: macrocycle -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:82904 +name: 2-aminophenylglyoxylate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:51031 -name: organic calcium salt -is_a: CHEBI:24868 ! organic salt +id: CHEBI:82918 +name: hexosyl-(1<->1')-N-acylsphinganine +is_a: CHEBI:23079 ! cerebroside [Term] -id: CHEBI:51039 -name: dopamine uptake inhibitor -is_a: CHEBI:48560 ! dopaminergic agent +id: CHEBI:82919 +name: beta-D-glucosyl-(1<->1')-N-acylsphinganine +is_a: CHEBI:82918 ! hexosyl-(1<->1')-N-acylsphinganine +is_a: CHEBI:83264 ! beta-D-glucosylceramide [Term] -id: CHEBI:51057 -name: 3-phenylpropionate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:82921 +name: 1,2-dioctadecanoyl-sn-glycerol-3-phosphate(2-) +is_a: CHEBI:64861 ! 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:51060 -name: hormone agonist -is_a: CHEBI:48705 ! agonist -is_a: CHEBI:51061 ! hormone receptor modulator +id: CHEBI:82924 +name: 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:51061 -name: hormone receptor modulator -is_a: CHEBI:23888 ! drug -is_a: CHEBI:90710 ! receptor modulator +id: CHEBI:82925 +name: 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:51069 -name: organic halide salt -is_a: CHEBI:24868 ! organic salt +id: CHEBI:82927 +name: 1-palmitoyl-2-linoleoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:51075 -name: sophorolipid -is_a: CHEBI:33563 ! glycolipid +id: CHEBI:82928 +name: 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:51078 -name: 13-sophorosyloxydocosanoate 6',6''-diacetate -is_a: CHEBI:51075 ! sophorolipid +id: CHEBI:82929 +name: 1,2-dipalmitoyl-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +is_a: CHEBI:78090 ! 1,2-dipalmitoylglycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:51080 -name: nitrate ester -is_a: CHEBI:36963 ! organooxygen compound -is_a: CHEBI:51081 ! nitrates +id: CHEBI:82930 +name: 3-(3-amino-3-carboxypropyl)uridine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:51081 -name: nitrates -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:82939 +name: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88057 ! ganglioside GD1(2-) [Term] -id: CHEBI:51086 -name: chemical role -is_a: CHEBI:50906 ! role +id: CHEBI:82940 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:79218 ! N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:51119 -name: tricyclic hydrocarbon -is_a: CHEBI:33666 ! polycyclic hydrocarbon +id: CHEBI:82943 +name: 1-palmitoyl-2-icosanoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:51120 -name: ortho- and peri-fused tricyclic hydrocarbon -is_a: CHEBI:51119 ! tricyclic hydrocarbon +id: CHEBI:82945 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:51129 -name: nitrohydrocarbon -is_a: CHEBI:35716 ! C-nitro compound +id: CHEBI:82947 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate) +is_a: CHEBI:17283 ! 1-phosphatidyl-1D-myo-inositol 3-phosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:51132 -name: nitroarene -is_a: CHEBI:51129 ! nitrohydrocarbon +id: CHEBI:82948 +name: 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate) +is_a: CHEBI:26034 ! phosphatidylinositol 3-phosphate [Term] -id: CHEBI:51143 -name: nitrogen molecular entity -is_a: CHEBI:33302 ! pnictogen molecular entity -relationship: has_part CHEBI:25555 ! nitrogen atom +id: CHEBI:82949 +name: 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:51144 -name: nitrogen group -is_a: CHEBI:24433 ! group +id: CHEBI:82950 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:51149 -name: xanthones -is_a: CHEBI:38835 ! xanthenes -is_a: CHEBI:3992 ! cyclic ketone +id: CHEBI:82951 +name: alpha-N-glycoloylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:5115 -name: monofluorobenzene -is_a: CHEBI:83575 ! monofluorobenzenes +id: CHEBI:82953 +name: 1-(3-O-sulfonato-beta-D-galactosyl)ceramide(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:51151 -name: dipolar compound -is_a: CHEBI:72695 ! organic molecule +id: CHEBI:82954 +name: 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3',5'-bisphosphate) +is_a: CHEBI:16851 ! 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate [Term] -id: CHEBI:51177 -name: antitussive -is_a: CHEBI:23888 ! drug +id: CHEBI:82957 +name: 3-hydroxyisovalerate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:5118 -name: fluoxetine -is_a: CHEBI:60911 ! racemate -relationship: has_part CHEBI:86991 ! (R)-fluoxetine -relationship: has_part CHEBI:86992 ! (S)-fluoxetine -relationship: has_role CHEBI:35469 ! antidepressant -relationship: has_role CHEBI:35480 ! analgesic -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor -relationship: has_role CHEBI:78298 ! environmental contaminant -relationship: has_role CHEBI:88188 ! drug allergen +id: CHEBI:82959 +name: N-hexanoylsphingosine 1-phosphate(2-) +is_a: CHEBI:57674 ! N-acylsphingosine 1-phosphate(2-) [Term] -id: CHEBI:51197 -name: calixaromatic -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:51026 ! macrocycle +id: CHEBI:82961 +name: 17beta-estradiol 17-glucosiduronate +is_a: CHEBI:136637 ! steroid glucosiduronic acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:83411 ! beta-D-glucosiduronate [Term] -id: CHEBI:51214 -name: diamminedichloroplatinum -is_a: CHEBI:33862 ! platinum coordination entity +id: CHEBI:82967 +name: (11Z)-3-oxohexadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:51269 -name: acenes -is_a: CHEBI:33836 ! benzenoid aromatic compound +id: CHEBI:82970 +name: dihydromonacolin L acid +is_a: CHEBI:138397 ! octahydronaphthalenes +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite [Term] -id: CHEBI:51270 -name: tetracenes -is_a: CHEBI:51269 ! acenes +id: CHEBI:82971 +name: monacolin J acid +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:51276 -name: thioureas -is_a: CHEBI:50492 ! thiocarbonyl compound +id: CHEBI:82972 +name: 3alpha-hydroxy-3,5-dihydromonacolin L acid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:51277 -name: thioester -is_a: CHEBI:26959 ! thiocarboxylic ester -is_a: CHEBI:36586 ! carbonyl compound +id: CHEBI:8298 +name: poly[(R)-3-hydroxybutanoate] +is_a: CHEBI:60160 ! polyester polymer [Term] -id: CHEBI:51285 -name: acenoquinone -is_a: CHEBI:36141 ! quinone -is_a: CHEBI:51269 ! acenes +id: CHEBI:82982 +name: glycodeoxycholate +is_a: CHEBI:57670 ! N-acylglycinate +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:51286 -name: tetracenequinones -is_a: CHEBI:51285 ! acenoquinone -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:82983 +name: 1-oleoyl-2-acyl-sn-3-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol [Term] -id: CHEBI:5130 -name: flurbiprofen -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:38679 ! fluorobiphenyl -relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug -relationship: has_role CHEBI:35481 ! non-narcotic analgesic -relationship: has_role CHEBI:35493 ! antipyretic -relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor +id: CHEBI:82985 +name: mevinolinic acid +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35748 ! fatty acid ester +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +is_a: CHEBI:36785 ! carbobicyclic compound +relationship: has_role CHEBI:35664 ! EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:50905 ! teratogenic agent +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:51307 -name: diester -is_a: CHEBI:35701 ! ester +id: CHEBI:82987 +name: monacolin L acid +is_a: CHEBI:142348 ! hexahydronaphthalenes +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:51308 -name: dinitrile -is_a: CHEBI:18379 ! nitrile +id: CHEBI:83027 +name: 16beta-hydroxytestosterone +is_a: CHEBI:17354 ! 16beta-hydroxy steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:50113 ! androgen +relationship: has_role CHEBI:83056 ! Daphnia magna metabolite [Term] -id: CHEBI:51316 -name: haloethene -is_a: CHEBI:5610 ! haloalkene +id: CHEBI:83032 +name: 4-O-beta-D-glucosyl-trans-4-coumaric acid +is_a: CHEBI:17335 ! 4-O-beta-D-glucosyl-4-coumaric acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:51324 -name: vinylarene -is_a: CHEBI:33658 ! arene +id: CHEBI:83038 +name: Daphnia galeata metabolite +is_a: CHEBI:83057 ! Daphnia metabolite [Term] -id: CHEBI:51337 -name: organic sulfate salt -is_a: CHEBI:24868 ! organic salt -is_a: CHEBI:35175 ! sulfate salt +id: CHEBI:83039 +name: crustacean metabolite +is_a: CHEBI:75767 ! animal metabolite [Term] -id: CHEBI:51339 -name: adamantanes -is_a: CHEBI:35294 ! carbopolycyclic compound +id: CHEBI:83042 +name: undecenoate +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:51349 -name: polyamine macromolecule -is_a: CHEBI:33839 ! macromolecule -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:83043 +name: 4,4'-diapolycopenedioic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:51354 -name: benzylpenicillin(1-) -is_a: CHEBI:51356 ! penicillinate anion +id: CHEBI:83045 +name: dodecenoate +is_a: CHEBI:59203 ! straight-chain fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:51356 -name: penicillinate anion -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:47811 ! penamcarboxylate +id: CHEBI:83047 +name: 1-stearoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:29017 ! 1-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64576 ! lysophosphatidylethanolamine 18:0 +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:51371 -name: muscle relaxant -is_a: CHEBI:51372 ! neuromuscular agent +id: CHEBI:83048 +name: 4,4'-diaponeurosporenoic acid +is_a: CHEBI:36783 ! apo carotenoid triterpenoid +is_a: CHEBI:78840 ! olefinic compound +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:51372 -name: neuromuscular agent -is_a: CHEBI:23888 ! drug +id: CHEBI:83054 +name: 1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:64930 ! 1-acyl-sn-glycero-3-phospho-1D-myo-inositol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:51374 -name: GABA agent -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:83056 +name: Daphnia magna metabolite +is_a: CHEBI:83057 ! Daphnia metabolite [Term] -id: CHEBI:51384 -name: D-ascorbic acid -is_a: CHEBI:22652 ! ascorbic acid +id: CHEBI:83057 +name: Daphnia metabolite +is_a: CHEBI:83039 ! crustacean metabolite [Term] -id: CHEBI:51387 -name: calix(hetero)arene -is_a: CHEBI:51197 ! calixaromatic +id: CHEBI:83062 +name: 3'-end ribonucleotide 3'-phosphate(3-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:51389 -name: calixpyrroles -is_a: CHEBI:51387 ! calix(hetero)arene +id: CHEBI:83064 +name: 3'-end ribonucleotide 2',3'-cyclic phosphate(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:51422 -name: organodiyl group -is_a: CHEBI:51446 ! organic divalent group +id: CHEBI:83071 +name: tRNA 3'-terminal nucleotidyl-cytidyl-cytidyl-adenosine(4-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:51446 -name: organic divalent group -is_a: CHEBI:33247 ! organic group +id: CHEBI:83072 +name: EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor +is_a: CHEBI:77102 ! EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor [Term] -id: CHEBI:51447 -name: organic univalent group -is_a: CHEBI:33247 ! organic group +id: CHEBI:83088 +name: (R)-lipoate +is_a: CHEBI:30313 ! lipoate [Term] -id: CHEBI:51453 -name: (S)-carnitinium -is_a: CHEBI:3424 ! carnitinium -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83091 +name: (R)-lipoyl-AMP(1-) +is_a: CHEBI:58923 ! lipoyl-AMP(1-) [Term] -id: CHEBI:51454 -name: cyclopropanes -is_a: CHEBI:33598 ! carbocyclic compound +id: CHEBI:83093 +name: (R)-dihydrolipoate +is_a: CHEBI:30316 ! dihydrolipoate [Term] -id: CHEBI:51545 -name: 1,2-benzoxazoles -is_a: CHEBI:51549 ! benzisoxazole +id: CHEBI:83094 +name: (R)-lipoamide +is_a: CHEBI:17460 ! lipoamide [Term] -id: CHEBI:51549 -name: benzisoxazole -is_a: CHEBI:46700 ! benzoxazole +id: CHEBI:83096 +name: (R)-S(6)-acetyldihydrolipoamide +is_a: CHEBI:16807 ! S(6)-acetyldihydrolipoamide [Term] -id: CHEBI:51569 -name: N-acyl-amino acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:37622 ! carboxamide -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:83099 +name: N(6)-[(R)-lipoyl]-L-lysine residue +is_a: CHEBI:14919 ! N(6)-lipoyl-L-lysine residue [Term] -id: CHEBI:51570 -name: biotins -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:38295 ! azabicycloalkane -is_a: CHEBI:38297 ! thiabicycloalkane -is_a: CHEBI:47857 ! ureas +id: CHEBI:83100 +name: N(6)-[(R)-dihydrolipoyl]-L-lysine residue +is_a: CHEBI:50746 ! N(6)-dihydrolipoyl-L-lysine residue [Term] -id: CHEBI:51614 -name: diarylmethane -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:83103 +name: N(6)-[(R)-S(8)-aminomethyldihydrolipoyl]-L-lysine residue +is_a: CHEBI:14949 ! N(6)-(S(8)-aminomethyldihydrolipoyl)-L-lysine residue [Term] -id: CHEBI:51681 -name: dimethoxybenzene -is_a: CHEBI:51683 ! methoxybenzenes +id: CHEBI:83111 +name: N(6)-[(R)-S(8)-acetyldihydrolipoyl]-L-lysine residue +is_a: CHEBI:78815 ! N(6)-(S(8)-acetyldihydrolipoyl)-L-lysine residue [Term] -id: CHEBI:51683 -name: methoxybenzenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:35618 ! aromatic ether +id: CHEBI:83120 +name: N(6)-[(R)-S(8)-succinyldihydrolipoyl]-L-lysine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:51688 -name: enal -is_a: CHEBI:51718 ! alpha,beta-unsaturated aldehyde -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:83139 +name: long-chain fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:51689 -name: enone -is_a: CHEBI:51721 ! alpha,beta-unsaturated ketone -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:83142 +name: N(6)-[(R)-S(8)-isobutyryldihydrolipoyl]-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:51702 -name: enoate ester -is_a: CHEBI:51737 ! alpha,beta-unsaturated carboxylic ester -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:83143 +name: N(6)-[(R)-S(8)-ammoniomethyldihydrolipoyl]-L-lysine(1+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:51705 -name: octacarboxylic acid -is_a: CHEBI:33575 ! carboxylic acid +id: CHEBI:83144 +name: biotinyl-L-lysine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:51718 -name: alpha,beta-unsaturated aldehyde -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:83145 +name: carboxybiotinyl-L-lysine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:51721 -name: alpha,beta-unsaturated ketone -is_a: CHEBI:17087 ! ketone +id: CHEBI:83146 +name: Daphnia tenebrosa metabolite +is_a: CHEBI:83057 ! Daphnia metabolite [Term] -id: CHEBI:51737 -name: alpha,beta-unsaturated carboxylic ester -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:83147 +name: 15alpha-hydroxy steroid +is_a: CHEBI:38089 ! 15-hydroxy steroid [Term] -id: CHEBI:51750 -name: alpha,beta-unsaturated carboxylic acid amide -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:83169 +name: N-acyl homoserine lactone +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:29347 ! monocarboxylic acid amide +relationship: has_role CHEBI:71338 ! autoinducer [Term] -id: CHEBI:51751 -name: enamide -is_a: CHEBI:51750 ! alpha,beta-unsaturated carboxylic acid amide -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:83170 +name: (3R)-3-amino-3-phenylpropanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:51851 -name: ketonitrile -is_a: CHEBI:17087 ! ketone -is_a: CHEBI:18379 ! nitrile +id: CHEBI:83171 +name: (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid +is_a: CHEBI:35960 ! 6-oxo monocarboxylic acid +is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] -id: CHEBI:51852 -name: alpha-ketonitrile -is_a: CHEBI:51851 ! ketonitrile +id: CHEBI:83172 +name: N-tetracosenoylsphingosine-1-phosphocholine +is_a: CHEBI:17636 ! sphingomyelin d18:1 [Term] -id: CHEBI:51856 -name: methylphenidate(1+) -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:83189 +name: phosphatidylinositol monophosphate(3-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:51857 -name: methyl (S)-phenyl[(S)-piperidin-2-yl]acetate -is_a: CHEBI:84276 ! methyl phenyl(piperidin-2-yl)acetate +id: CHEBI:83191 +name: phosphatidylinositol bisphosphate(5-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:51860 -name: dexmethylphenidate -is_a: CHEBI:84276 ! methyl phenyl(piperidin-2-yl)acetate -relationship: has_role CHEBI:37962 ! adrenergic agent +id: CHEBI:83193 +name: phosphatidylinositol trisphosphate(7-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:51867 -name: methyl ketone -is_a: CHEBI:17087 ! ketone +id: CHEBI:83195 +name: glycerophosphoglycerophosphate anion +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:51869 -name: alpha-diketone -is_a: CHEBI:46640 ! diketone +id: CHEBI:83203 +name: 1-stearoylglycerone 3-phosphate(2-) +is_a: CHEBI:57534 ! 1-acylglycerone 3-phosphate(2-) [Term] -id: CHEBI:51877 -name: bisindole -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:83211 +name: tirucallane triterpenoid +is_a: CHEBI:26893 ! tetracyclic triterpenoid [Term] -id: CHEBI:51879 -name: bisindole alkaloid -is_a: CHEBI:22315 ! alkaloid -is_a: CHEBI:51877 ! bisindole +id: CHEBI:83223 +name: L-erythro-N-acylsphingosine +is_a: CHEBI:26739 ! sphingolipid [Term] -id: CHEBI:51914 -name: organic heterohexacyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:83224 +name: beta-D-glucosyl-L-erythro-N-acylsphingosine +is_a: CHEBI:83264 ! beta-D-glucosylceramide [Term] -id: CHEBI:51915 -name: indolocarbazole -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:83226 +name: N(omega)-phospho-L-arginine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:51958 -name: organic polycyclic compound -is_a: CHEBI:33635 ! polycyclic compound -is_a: CHEBI:33832 ! organic cyclic compound +id: CHEBI:83228 +name: L-alpha-amino acid residue +is_a: CHEBI:33710 ! alpha-amino-acid residue [Term] -id: CHEBI:51959 -name: organic tricyclic compound -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:83229 +name: amino acid opine +is_a: CHEBI:82803 ! opine +is_a: CHEBI:83821 ! amino acid derivative [Term] -id: CHEBI:51963 -name: hopanoid -is_a: CHEBI:36615 ! triterpenoid +id: CHEBI:83233 +name: Mo(=O)(=S)-molybdopterin cofactor +is_a: CHEBI:21437 ! Mo-molybdopterin cofactor [Term] -id: CHEBI:51978 -name: oxonium betaine -is_a: CHEBI:35281 ! onium betaine +id: CHEBI:83234 +name: beta-D-galactosyl-(1<->1')-sphinganine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:52090 -name: methoxide -is_a: CHEBI:25696 ! organic anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83235 +name: beta-D-galactosyl-(1<->1')-sphinganine +is_a: CHEBI:36527 ! glycosylsphingoid [Term] -id: CHEBI:52092 -name: ethoxide -is_a: CHEBI:25696 ! organic anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83236 +name: 2-acylglycerophospho-(2'-acylglycerol)(1-) +is_a: CHEBI:83237 ! acylglycerophosphoacylglycerol(1-) [Term] -id: CHEBI:52136 -name: phosphinothricin -is_a: CHEBI:26044 ! phosphinic acids -relationship: has_role CHEBI:24527 ! herbicide +id: CHEBI:83237 +name: acylglycerophosphoacylglycerol(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:52157 -name: organic heteroheptacyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:83239 +name: 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate) +is_a: CHEBI:16500 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate +is_a: CHEBI:50477 ! butyrate ester [Term] -id: CHEBI:52206 -name: biochemical role -is_a: CHEBI:24432 ! biological role +id: CHEBI:83240 +name: 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol) +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol +is_a: CHEBI:50477 ! butyrate ester [Term] -id: CHEBI:52208 -name: biophysical role -is_a: CHEBI:24432 ! biological role +id: CHEBI:83241 +name: 1D-myo-inositol 3,4-biphosphate(4-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion [Term] -id: CHEBI:52209 -name: aetiopathogenetic role -is_a: CHEBI:24432 ! biological role +id: CHEBI:83242 +name: 1D-myo-inositol 1,3-biphosphate(4-) +is_a: CHEBI:76301 ! inositol phosphate oxoanion [Term] -id: CHEBI:52210 -name: pharmacological role -is_a: CHEBI:24432 ! biological role +id: CHEBI:83243 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1D-myo-inositol 3,4,5-triphosphate)(7-) +is_a: CHEBI:57836 ! 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) [Term] -id: CHEBI:52211 -name: physiological role -is_a: CHEBI:24432 ! biological role +id: CHEBI:83244 +name: N-(2-hydroxyhexanoyl)sphingosine +is_a: CHEBI:16456 ! 2-(2-hydroxyacyl)sphingosine [Term] -id: CHEBI:52214 -name: ligand -is_a: CHEBI:51086 ! chemical role +id: CHEBI:83245 +name: N-(2-hydroxyacyl)-beta-D-galactosylsphingosine +is_a: CHEBI:18390 ! N-acyl-beta-D-galactosylsphingosine [Term] -id: CHEBI:52215 -name: photochemical role -is_a: CHEBI:51086 ! chemical role +id: CHEBI:83246 +name: N-(2-hydroxyhexanoyl)-beta-D-galactosylsphingosine +is_a: CHEBI:83245 ! N-(2-hydroxyacyl)-beta-D-galactosylsphingosine [Term] -id: CHEBI:52217 -name: pharmaceutical -is_a: CHEBI:33232 ! application +id: CHEBI:83247 +name: N-(2-hydroxyacyl)sphinganine +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:52254 -name: apatite -is_a: CHEBI:46723 ! phosphate mineral +id: CHEBI:83248 +name: N-(2-hydroxyhexanoyl)sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine [Term] -id: CHEBI:52255 -name: hydroxylapatite -is_a: CHEBI:52254 ! apatite +id: CHEBI:83249 +name: N-(2-hydroxyacyl)-beta-D-galactosylsphinganine +is_a: CHEBI:36498 ! galactosylceramide [Term] -id: CHEBI:52267 -name: 7-hydroxyflavonol -is_a: CHEBI:28802 ! flavonols +id: CHEBI:83257 +name: N-(2-hydroxyhexanoyl)-beta-D-galactosylsphinganine +is_a: CHEBI:83249 ! N-(2-hydroxyacyl)-beta-D-galactosylsphinganine [Term] -id: CHEBI:52288 -name: 1-octadec-9-enoylglycero-3-phosphate -is_a: CHEBI:76629 ! 2-lysophosphatidic acid -relationship: has_role CHEBI:52290 ! mitogen -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83262 +name: alkyl,acyl-3-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid [Term] -id: CHEBI:52289 -name: wortmannin -is_a: CHEBI:18946 ! delta-lactone -is_a: CHEBI:38164 ! organic heteropentacyclic compound -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:47622 ! acetate ester -relationship: has_role CHEBI:50914 ! EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor +id: CHEBI:83264 +name: beta-D-glucosylceramide +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:36500 ! glucosylceramide [Term] -id: CHEBI:52290 -name: mitogen -is_a: CHEBI:24432 ! biological role +id: CHEBI:83273 +name: N-acylsphingoid +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:52317 -name: thalianol -is_a: CHEBI:52340 ! tricyclic triterpenoid +id: CHEBI:83274 +name: juvenile hormone III carboxylate +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:52340 -name: tricyclic triterpenoid -is_a: CHEBI:36615 ! triterpenoid -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:83276 +name: (2E,6E)-farnesoate +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:52362 -name: ortho-fused heteroarene -is_a: CHEBI:33637 ! ortho-fused compound -is_a: CHEBI:38180 ! polycyclic heteroarene +id: CHEBI:83280 +name: flavone C-glycoside +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:24043 ! flavones + +[Term] +id: CHEBI:83290 +name: N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:35284 ! ammonium betaine +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:52395 -name: oxyketone -is_a: CHEBI:17087 ! ketone +id: CHEBI:83308 +name: dioleoylphosphatidate(2-) +is_a: CHEBI:57739 ! phosphatidate(2-) [Term] -id: CHEBI:52396 -name: alpha-oxyketone -is_a: CHEBI:52395 ! oxyketone +id: CHEBI:83317 +name: sterol biosynthesis inhibitor +is_a: CHEBI:35222 ! inhibitor +is_a: CHEBI:52206 ! biochemical role [Term] -id: CHEBI:52424 -name: EC 3.2.1.* (glycosidase) inhibitor -is_a: CHEBI:76761 ! EC 3.2.* (glycosylase) inhibitor +id: CHEBI:83324 +name: pent-2-enoyl-CoA(4-) +is_a: CHEBI:60015 ! 2,3-dehydroacyl-CoA(4-) [Term] -id: CHEBI:52425 -name: EC 3.2.1.18 (exo-alpha-sialidase) inhibitor -is_a: CHEBI:36044 ! antiviral drug -is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor +id: CHEBI:83334 +name: 12-HPE(8,10,14)TrE(1-) +is_a: CHEBI:131875 ! hydroperoxyicosatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:52440 -name: cephalosporin carboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:83336 +name: 14-HPDHE(1-) +is_a: CHEBI:131868 ! HPDHE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:52447 -name: tetrahydrodictyopterin -is_a: CHEBI:15372 ! 5,6,7,8-tetrahydrobiopterin -relationship: has_role CHEBI:26348 ! prosthetic group +id: CHEBI:83342 +name: 10-HPO(6,8,12)TrE(1-) +is_a: CHEBI:133558 ! hydroperoxyoctadecatrienoate [Term] -id: CHEBI:52449 -name: 5-oxo-ETE -is_a: CHEBI:61704 ! oxoicosatetraenoic acid -relationship: has_role CHEBI:50846 ! immunomodulator -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83343 +name: 12(R)-HETE(1-) +is_a: CHEBI:131858 ! HETE anion +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:52450 -name: 2-O-acetyl-1-O-octadecyl-sn-glycero-3-phosphocholine -is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine -relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:35674 ! antihypertensive agent -relationship: has_role CHEBI:50141 ! bronchoconstrictor agent -relationship: has_role CHEBI:50248 ! hematologic agent +id: CHEBI:83344 +name: 8-HPETE methyl ester +is_a: CHEBI:4986 ! fatty acid methyl ester +is_a: CHEBI:61051 ! lipid hydroperoxide [Term] -id: CHEBI:5254 -name: galactolipid -is_a: CHEBI:33563 ! glycolipid +id: CHEBI:83347 +name: organosulfonic ester +is_a: CHEBI:33424 ! sulfur oxoacid derivative +is_a: CHEBI:35701 ! ester [Term] -id: CHEBI:52557 -name: tetracyclic diterpenoid -is_a: CHEBI:23849 ! diterpenoid +id: CHEBI:83348 +name: chlorophyllide a(2-) +is_a: CHEBI:139292 ! chlorophyllide(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:52565 -name: acylglycerophosphoserine -is_a: CHEBI:35766 ! glycerophosphoserine +id: CHEBI:83349 +name: divinyl chlorophyllide a(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:52575 -name: alkylglycerol -is_a: CHEBI:24353 ! glycerol ether +id: CHEBI:83350 +name: protochlorophyllide(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:52602 -name: ganglioside GP1c -is_a: CHEBI:36543 ! sialotetraosylceramide +id: CHEBI:83356 +name: chlorophyllide b(2-) +is_a: CHEBI:139292 ! chlorophyllide(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:52618 -name: 2-hydroxy carboxylic acid -is_a: CHEBI:24669 ! hydroxy carboxylic acid +id: CHEBI:83357 +name: 7(1)-hydroxychlorophyllide a(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:52625 -name: inorganic hydroxy compound -is_a: CHEBI:24651 ! hydroxides -is_a: CHEBI:24835 ! inorganic molecular entity +id: CHEBI:83358 +name: N-stearoylsphingosine-1-phosphocholine +is_a: CHEBI:17636 ! sphingomyelin d18:1 +is_a: CHEBI:72518 ! sphingomyelin 36:1 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:52640 -name: N-acylethanolamine -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:23981 ! ethanolamines +id: CHEBI:83360 +name: N-lignoceroylsphingosine-1-phosphocholine +is_a: CHEBI:17636 ! sphingomyelin d18:1 +is_a: CHEBI:72533 ! sphingomyelin 42:1 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:52641 -name: polyphosphoric acid -is_a: CHEBI:33457 ! phosphorus oxoacid -is_a: CHEBI:37786 ! acyclic phosphorus acid anhydride +id: CHEBI:83373 +name: 3-vinylbacteriochlorophyllide a(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:52646 -name: leptomycin B -is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid -is_a: CHEBI:52651 ! leptomycin -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:83374 +name: all-cis-polyprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:52651 -name: leptomycin -is_a: CHEBI:24654 ! hydroxy fatty acid -is_a: CHEBI:25000 ! lactone -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:27283 ! very long-chain fatty acid -is_a: CHEBI:35819 ! branched-chain fatty acid -is_a: CHEBI:59644 ! oxo fatty acid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +id: CHEBI:83377 +name: 7(1)-hydroxychlorophyll a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:52679 -name: 5-alkylresorcinol -is_a: CHEBI:33572 ! resorcinols +id: CHEBI:83383 +name: D-galactaro-1,5-lactone(1-) +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:52684 -name: butanediol -is_a: CHEBI:22944 ! butanediols +id: CHEBI:83384 +name: D-glucaro-1,5-lactone(1-) +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:52726 -name: proteasome inhibitor -is_a: CHEBI:23888 ! drug +id: CHEBI:83385 +name: 2,5-diformylfuran +is_a: CHEBI:24129 ! furans +is_a: CHEBI:33855 ! arenecarbaldehyde +is_a: CHEBI:38124 ! dialdehyde [Term] -id: CHEBI:52839 -name: acridinium ion -is_a: CHEBI:25697 ! organic cation +id: CHEBI:83386 +name: 2-(dihydroxymethyl)-5-formylfuran +is_a: CHEBI:24129 ! furans +is_a: CHEBI:33855 ! arenecarbaldehyde +is_a: CHEBI:63733 ! aldehyde hydrate [Term] -id: CHEBI:52845 -name: cyclic organic group -is_a: CHEBI:33247 ! organic group +id: CHEBI:83387 +name: 5-formyl-2-furoate +is_a: CHEBI:36056 ! furancarboxylate +is_a: CHEBI:71944 ! aldehydic acid anion [Term] -id: CHEBI:528881 -name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoate -is_a: CHEBI:57560 ! long-chain fatty acid anion +id: CHEBI:83388 +name: 5-(dihydroxymethyl)-2-furoate +is_a: CHEBI:36056 ! furancarboxylate [Term] -id: CHEBI:52897 -name: sphingosylphosphocholine acid -is_a: CHEBI:35267 ! quaternary ammonium ion -is_a: CHEBI:35786 ! phosphosphingolipid -is_a: CHEBI:36700 ! phosphocholines +id: CHEBI:83389 +name: furan-2,5-dicarboxylate +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:36056 ! furancarboxylate [Term] -id: CHEBI:52971 -name: ubiquinone-6 -is_a: CHEBI:16389 ! ubiquinones -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83390 +name: pentachlorobenzenes +is_a: CHEBI:23132 ! chlorobenzenes [Term] -id: CHEBI:52973 -name: ergosteryl 3-beta-D-glucoside -is_a: CHEBI:37424 ! sterol 3-beta-D-glucoside -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83397 +name: L-citrulline residue +is_a: CHEBI:33708 ! amino-acid residue [Term] -id: CHEBI:53000 -name: epitope -is_a: CHEBI:24432 ! biological role +id: CHEBI:83399 +name: marine xenobiotic metabolite +is_a: CHEBI:76206 ! xenobiotic metabolite +is_a: CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:53012 -name: xanthosine 5'-phosphate -is_a: CHEBI:27329 ! xanthosine phosphate +id: CHEBI:83400 +name: RNA polyanion +is_a: CHEBI:60164 ! ionic polymer [Term] -id: CHEBI:53030 -name: oxysterol -is_a: CHEBI:15889 ! sterol +id: CHEBI:83401 +name: anionic tRNA polymer +is_a: CHEBI:53309 ! polyanionic macromolecule [Term] -id: CHEBI:53071 -name: L-galactonate -is_a: CHEBI:24148 ! galactonate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83402 +name: nucleoside 3',5'-bisphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:53079 -name: lysine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:83403 +name: monochlorobenzenes +is_a: CHEBI:23132 ! chlorobenzenes [Term] -id: CHEBI:53121 -name: adenosine A2A receptor antagonist -is_a: CHEBI:71232 ! adenosine receptor antagonist +id: CHEBI:83407 +name: 4-(phosphooxymethyl)-2-furancarboxaldehyde(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:53156 -name: polychlorobiphenyl -is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds -is_a: CHEBI:35446 ! chlorobiphenyl -relationship: has_role CHEBI:138015 ! endocrine disruptor -relationship: has_role CHEBI:77853 ! persistent organic pollutant +id: CHEBI:83408 +name: sn-glycerophosphodiester(1-) +is_a: CHEBI:77847 ! glycerol 1-phosphodiester(1-) [Term] -id: CHEBI:53183 -name: apo carotenoid -is_a: CHEBI:24913 ! isoprenoid +id: CHEBI:83410 +name: alpha-amino acid ester(1+) +is_a: CHEBI:65296 ! primary ammonium ion [Term] -id: CHEBI:53224 -name: poly(amide) macromolecule -is_a: CHEBI:32988 ! amide -is_a: CHEBI:33839 ! macromolecule +id: CHEBI:83411 +name: beta-D-glucosiduronate +is_a: CHEBI:132367 ! beta-D-glucuronoside(1-) +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:53291 -name: 2-halophenol -is_a: CHEBI:38856 ! halophenol +id: CHEBI:83412 +name: N(5)-acyl-L-ornithine ester(1+) +is_a: CHEBI:65296 ! primary ammonium ion [Term] -id: CHEBI:533015 -name: 3,3',5-triiodo-L-thyronine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83414 +name: alkyl sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:53309 -name: polyanionic macromolecule -is_a: CHEBI:33839 ! macromolecule -is_a: CHEBI:53368 ! ionic macromolecule +id: CHEBI:83416 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7-) +is_a: CHEBI:57836 ! 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) [Term] -id: CHEBI:53310 -name: copolymer macromolecule -is_a: CHEBI:33839 ! macromolecule +id: CHEBI:83417 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5-) +is_a: CHEBI:57658 ! 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) [Term] -id: CHEBI:53339 -name: olefinic fatty acid -is_a: CHEBI:27208 ! unsaturated fatty acid -is_a: CHEBI:78840 ! olefinic compound +id: CHEBI:83418 +name: S-(5-histidyl)cysteine sulfoxide +is_a: CHEBI:22063 ! sulfoxide +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83824 ! L-cysteine derivative +is_a: CHEBI:84076 ! L-histidine derivative +relationship: has_role CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:53348 -name: benzenesulfonates -is_a: CHEBI:22713 ! arenesulfonate oxoanion +id: CHEBI:83419 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5-) +is_a: CHEBI:58456 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) [Term] -id: CHEBI:53353 -name: GHB receptor agonist -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:83420 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7-) +is_a: CHEBI:57836 ! 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) [Term] -id: CHEBI:53368 -name: ionic macromolecule -is_a: CHEBI:33839 ! macromolecule +id: CHEBI:83421 +name: O-phospho-L-serine(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:53373 -name: gamma-poly(glutamic acid) macromolecule -is_a: CHEBI:37997 ! homopolymer macromolecule -is_a: CHEBI:53224 ! poly(amide) macromolecule +id: CHEBI:83422 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5-) +is_a: CHEBI:57658 ! 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) [Term] -id: CHEBI:53376 -name: gamma-poly(glutamate) macromolecule -is_a: CHEBI:53224 ! poly(amide) macromolecule -is_a: CHEBI:53368 ! ionic macromolecule +id: CHEBI:83423 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5-) +is_a: CHEBI:58456 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) [Term] -id: CHEBI:53387 -name: poly(hydroxyalkanoate) -is_a: CHEBI:26178 ! polyester macromolecule +id: CHEBI:83425 +name: gamma-glutamyltyramine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:53388 -name: poly(hydroxybutyrate) -is_a: CHEBI:53387 ! poly(hydroxyalkanoate) +id: CHEBI:83431 +name: [5-(ammoniomethyl)-3-furyl]methyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:53390 -name: poly(hydroxyvalerate) -is_a: CHEBI:53387 ! poly(hydroxyalkanoate) +id: CHEBI:83433 +name: 3,6-anhydro-alpha-L-galactopyranose +is_a: CHEBI:22557 ! anhydrohexose +is_a: CHEBI:35990 ! bridged compound +relationship: has_role CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:53391 -name: poly(3-hydroxyvalerate) -is_a: CHEBI:53390 ! poly(hydroxyvalerate) +id: CHEBI:83434 +name: 2-hydroxy-5-methyl-1-naphthoic acid +is_a: CHEBI:25392 ! naphthols +is_a: CHEBI:25483 ! naphthoic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:53392 -name: poly(5-hydroxyvalerate) -is_a: CHEBI:53390 ! poly(hydroxyvalerate) +id: CHEBI:83435 +name: 3,6-anhydro-L-galactonate +is_a: CHEBI:33721 ! carbohydrate acid anion +relationship: has_role CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:53463 -name: heptasaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:83436 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-) +is_a: CHEBI:58178 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) [Term] -id: CHEBI:53628 -name: 2,6-dideoxy-alpha-D-glucoside -is_a: CHEBI:22390 ! alpha-D-glucoside +id: CHEBI:83439 +name: iminoarginine(1+) +is_a: CHEBI:60251 ! guanidinium ion [Term] -id: CHEBI:53634 -name: neomycin C -is_a: CHEBI:47779 ! aminoglycoside +id: CHEBI:83440 +name: O-(S-3-oxoicosanoylpantetheine-4'-phosphoryl)-L-serine(1-) residue +is_a: CHEBI:78776 ! O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue [Term] -id: CHEBI:53746 -name: EC 1.1.1.205 (IMP dehydrogenase) inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:83441 +name: O-[S-(3R)-hydroxyicosanoylpantetheine-4-phosphoryl]serine(1-) residue +is_a: CHEBI:78827 ! O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue [Term] -id: CHEBI:53784 -name: antispasmodic drug -is_a: CHEBI:51371 ! muscle relaxant +id: CHEBI:83444 +name: 4-(5-O-phospho-beta-D-ribofuranosyl)phenol +is_a: CHEBI:20857 ! C-glycosyl compound +is_a: CHEBI:35159 ! ribose monophosphate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:5385 -name: gliotoxin -is_a: CHEBI:35489 ! organic disulfide -is_a: CHEBI:38163 ! organic heterotetracyclic compound -is_a: CHEBI:46761 ! dipeptide -is_a: CHEBI:64130 ! pyrazinoindole -relationship: has_role CHEBI:25442 ! mycotoxin -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:52726 ! proteasome inhibitor -relationship: has_role CHEBI:64133 ! EC 2.5.1.58 (protein farnesyltransferase) inhibitor +id: CHEBI:83545 +name: agmatidine 5'-phosphate(1+) residue +is_a: CHEBI:64769 ! organic cationic group [Term] -id: CHEBI:5386 -name: globin -is_a: CHEBI:35137 ! hemoprotein +id: CHEBI:83546 +name: caldopentamine +is_a: CHEBI:39474 ! polyazaalkane +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:50995 ! secondary amino compound +relationship: has_role CHEBI:76507 ! marine metabolite [Term] -id: CHEBI:5391 -name: glucagon -is_a: CHEBI:25905 ! peptide hormone +id: CHEBI:83547 +name: N(4)-aminopropylspermidine +is_a: CHEBI:39474 ! polyazaalkane +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:5411 -name: gluconapin(1-) -is_a: CHEBI:36451 ! alkenylglucosinolate +id: CHEBI:83550 +name: 1,2-ditetradecanoyl-sn-glycerol-3-phosphate(2-) +is_a: CHEBI:64863 ! 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:5417 -name: glucosamine -is_a: CHEBI:24271 ! glucosamines +id: CHEBI:83553 +name: N(4)-bis(aminopropyl)spermidine(1+) +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:5435 -name: piperidine-2,6-dione -is_a: CHEBI:35356 ! dicarboximide -is_a: CHEBI:48589 ! piperidones +id: CHEBI:83554 +name: N(4)-aminopropylspermine +is_a: CHEBI:39474 ! polyazaalkane +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:50996 ! tertiary amino compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:5445 -name: glyceraldehyde -is_a: CHEBI:33914 ! aldotriose -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:83561 +name: N-terminal L-phenylalanyl-L-alpha-amino acid(1+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue [Term] -id: CHEBI:5457 -name: glycerophosphoglycerol -is_a: CHEBI:24360 ! glycerophosphoglycerols +id: CHEBI:83562 +name: N-terminal L-arginyl-L-alpha-amino acid(2+) residue +is_a: CHEBI:58943 ! alpha-amino-acid cation residue [Term] -id: CHEBI:5530 -name: gramicidin S -is_a: CHEBI:24613 ! homodetic cyclic peptide +id: CHEBI:83563 +name: long-chain alkane +is_a: CHEBI:18310 ! alkane [Term] -id: CHEBI:55322 -name: mu-opioid receptor agonist -is_a: CHEBI:60599 ! mu-opioid agent -is_a: CHEBI:60606 ! opioid receptor agonist +id: CHEBI:83564 +name: (R)-3-phosphomevalonic acid +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:36952 ! carboxyalkyl phosphate [Term] -id: CHEBI:55323 -name: antidiarrhoeal drug -is_a: CHEBI:55324 ! gastrointestinal drug +id: CHEBI:83565 +name: (trifluoromethyl)benzenes +is_a: CHEBI:22712 ! benzenes +is_a: CHEBI:37143 ! organofluorine compound +relationship: has_part CHEBI:50127 ! trifluoromethyl group [Term] -id: CHEBI:55324 -name: gastrointestinal drug -is_a: CHEBI:23888 ! drug +id: CHEBI:83574 +name: (R)-3,5-bisphosphomevalonic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate [Term] -id: CHEBI:5533 -name: granaticin -is_a: CHEBI:25830 ! p-quinones -is_a: CHEBI:48129 ! benzoisochromanequinone -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:83575 +name: monofluorobenzenes +is_a: CHEBI:35496 ! fluorobenzenes [Term] -id: CHEBI:55367 -name: deoxyribonucleotide residue -is_a: CHEBI:50319 ! nucleotide residue +id: CHEBI:83577 +name: 2-carboxytetracosanoyl-CoA(5-) +is_a: CHEBI:84128 ! 2-carboxyacyl CoA(5-) [Term] -id: CHEBI:55370 -name: imidazolidinone -is_a: CHEBI:38261 ! imidazolidines +id: CHEBI:83578 +name: 2-carboxyhexacosanoyl-CoA(5-) +is_a: CHEBI:84128 ! 2-carboxyacyl CoA(5-) [Term] -id: CHEBI:55380 -name: beta-hydroxy ketone -is_a: CHEBI:17087 ! ketone -relationship: has_part CHEBI:43176 ! hydroxy group +id: CHEBI:83579 +name: 3-(methylthio)propanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:55429 -name: cephamycin -is_a: CHEBI:38311 ! cephem +id: CHEBI:83580 +name: trilinoleoyl 2-monolysocardiolipin(2-) +is_a: CHEBI:64743 ! 2-monolysocardiolipin(2-) [Term] -id: CHEBI:55465 -name: 7-hydroxyisoflavones -is_a: CHEBI:38755 ! hydroxyisoflavone +id: CHEBI:83581 +name: tetralinoleoyl cardiolipin(2-) +is_a: CHEBI:72900 ! cardiolipin 72:8(2-) [Term] -id: CHEBI:55491 -name: glycerol 1-phosphodiester -is_a: CHEBI:25703 ! organic phosphate +id: CHEBI:83582 +name: 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin(2-) +is_a: CHEBI:72899 ! cardiolipin 72:7(2-) [Term] -id: CHEBI:55505 -name: 1,2-benzisothiazole -is_a: CHEBI:37947 ! benzothiazoles +id: CHEBI:83583 +name: 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin(2-) +is_a: CHEBI:72892 ! cardiolipin 70:6(2-) [Term] -id: CHEBI:55514 -name: laminaritriose -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:83585 +name: N(tele)-phospho-L-histidine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:5610 -name: haloalkene -is_a: CHEBI:24472 ! halohydrocarbon +id: CHEBI:83586 +name: N(tele)-phosphonato-L-histidine residue +is_a: CHEBI:64898 ! anionic amino-acid residue [Term] -id: CHEBI:5613 -name: haloperidol -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:37143 ! organofluorine compound -is_a: CHEBI:48590 ! hydroxypiperidine -is_a: CHEBI:76224 ! aromatic ketone -is_a: CHEBI:83403 ! monochlorobenzenes -relationship: has_role CHEBI:48279 ! serotonergic antagonist -relationship: has_role CHEBI:48561 ! dopaminergic antagonist -relationship: has_role CHEBI:50919 ! antiemetic -relationship: has_role CHEBI:65190 ! first generation antipsychotic -relationship: has_role CHEBI:66956 ! antidyskinesia agent +id: CHEBI:8359 +name: pratensein +is_a: CHEBI:133959 ! 4'-methoxyisoflavones +is_a: CHEBI:55465 ! 7-hydroxyisoflavones [Term] -id: CHEBI:5653 -name: hemiacetal -is_a: CHEBI:30879 ! alcohol +id: CHEBI:83621 +name: fatty acyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37096 ! adenosine 5'-phosphate [Term] -id: CHEBI:566825 -name: propan-1-aminium -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:83622 +name: fatty acyl-AMP(1-) +is_a: CHEBI:141131 ! acyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:5686 -name: heterocyclic compound -is_a: CHEBI:33595 ! cyclic compound +id: CHEBI:83623 +name: dodecanoyl-AMP(1-) +is_a: CHEBI:133490 ! saturated fatty acyl-AMP(1-) +is_a: CHEBI:83622 ! fatty acyl-AMP(1-) [Term] -id: CHEBI:569624 -name: papulacandin B -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:63353 ! disaccharide derivative -is_a: CHEBI:72596 ! papulacandin -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35718 ! antifungal agent +id: CHEBI:83624 +name: O-adenyl-L-tyrosine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:57248 -name: echinocandin -is_a: CHEBI:46895 ! lipopeptide -is_a: CHEBI:86478 ! antibiotic antifungal agent +id: CHEBI:83625 +name: O-adenyl-L-tyrosine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:57260 -name: 2-methylbut-2-enoyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) +id: CHEBI:83626 +name: tetradecanoyl-AMP(1-) +is_a: CHEBI:133490 ! saturated fatty acyl-AMP(1-) +is_a: CHEBI:136562 ! long-chain fatty acyl-AMP(1-) [Term] -id: CHEBI:57277 -name: 3-(3-hydroxyphenyl)propanoate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:83627 +name: hexadecanoyl-AMP(1-) +is_a: CHEBI:133490 ! saturated fatty acyl-AMP(1-) +is_a: CHEBI:136562 ! long-chain fatty acyl-AMP(1-) [Term] -id: CHEBI:57287 -name: coenzyme A(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83628 +name: N-acylammonia +is_a: CHEBI:37622 ! carboxamide [Term] -id: CHEBI:57288 -name: acetyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83641 +name: juvenile hormone I +is_a: CHEBI:24943 ! juvenile hormone +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:4986 ! fatty acid methyl ester +is_a: CHEBI:51702 ! enoate ester [Term] -id: CHEBI:57289 -name: blasticidin S(1+) -is_a: CHEBI:60251 ! guanidinium ion -is_a: CHEBI:86478 ! antibiotic antifungal agent +id: CHEBI:83661 +name: lysidine monophosphate +is_a: CHEBI:23524 ! cytidines +is_a: CHEBI:25095 ! L-lysine derivative +is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid [Term] -id: CHEBI:57292 -name: succinyl-CoA(5-) -is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83662 +name: lysidine monophosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:57299 -name: ATP(3-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:83664 +name: lysine monophosphate residue +is_a: CHEBI:50319 ! nucleotide residue [Term] -id: CHEBI:57305 -name: glycine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83665 +name: lysidine monophosphate zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:57307 -name: protoporphyrinogen(2-) -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83670 +name: 9-PAHSA(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:57308 -name: uroporphyrinogen III(8-) -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion -is_a: CHEBI:63068 ! octacarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83677 +name: 12-PAHSA(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:57326 -name: (R)-methylmalonyl-CoA(5-) -is_a: CHEBI:58946 ! acyl-CoA oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83683 +name: N-terminal N-acetyl-L-alanine residue +is_a: CHEBI:33715 ! N-terminal alpha-amino-acid residue [Term] -id: CHEBI:57336 -name: 2-methylbutanoyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83690 +name: N-terminal N-acetyl-L-serine residue +is_a: CHEBI:33715 ! N-terminal alpha-amino-acid residue [Term] -id: CHEBI:57344 -name: 3-methylbut-2-enoyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83697 +name: N(5)-alkyl-L-glutamine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:57345 -name: isovaleryl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83714 +name: 1,2,2'-trilinoleoyl-1'-monolysocardiolipin(2-) +is_a: CHEBI:65092 ! 1-monolysocardiolipin(2-) [Term] -id: CHEBI:57369 -name: benzoyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) +id: CHEBI:83716 +name: 2-aminophenylglyoxylic acid +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:48975 ! substituted aniline +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:57371 -name: butyryl-CoA(4-) -is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83717 +name: 1,2-dipalmitoleoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66848 ! phosphatidylcholine 32:2 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:57384 -name: malonyl-CoA(5-) -is_a: CHEBI:58946 ! acyl-CoA oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83718 +name: 1,2-distearoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66858 ! phosphatidylcholine 36:0 [Term] -id: CHEBI:57392 -name: propionyl-CoA(4-) -is_a: CHEBI:137040 ! short chain fatty acyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83721 +name: long-chain 3-substituted propanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) [Term] -id: CHEBI:57403 -name: prostaglandin I2(1-) -is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83723 +name: medium-chain 3-substituted propanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) [Term] -id: CHEBI:57416 -name: D-alanine zwitterion -is_a: CHEBI:66916 ! alanine zwitterion +id: CHEBI:83724 +name: very long-chain 3-substituted propanoyl-CoA(4-) +is_a: CHEBI:138261 ! very long-chain fatty acyl-CoA(4-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) [Term] -id: CHEBI:57418 -name: (2-aminoethyl)phosphonic acid zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:83725 +name: primary alkymercury(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:33255 ! alkylmercury compound [Term] -id: CHEBI:57427 -name: L-leucine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83726 +name: medium-chain 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:57433 -name: sarcosine zwitterion -is_a: CHEBI:66884 ! N-alkylglycine zwitterion +id: CHEBI:83727 +name: long-chain 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:57443 -name: S-adenosylmethioninaminium -is_a: CHEBI:26830 ! sulfonium compound -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83728 +name: very long-chain 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:57445 -name: thromboxane A2(1-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:62945 ! thromboxane anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83736 +name: 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:57450 -name: 5(S)-HPETE(1-) -is_a: CHEBI:59720 ! HPETE anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83738 +name: 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:57451 -name: dihydrofolate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:67014 ! dihydrofolates -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83739 +name: ferroheme c di-L-cysteine(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:57454 -name: 10-formyltetrahydrofolate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83745 +name: validamycins +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:26191 ! polyol +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57461 -name: leukotriene B4(1-) -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -is_a: CHEBI:62942 ! leukotriene anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83746 +name: 3-ketocholest-4-en-26-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:36884 ! 26-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50401 ! cholestanoid [Term] -id: CHEBI:57463 -name: leukotriene A4(1-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:62942 ! leukotriene anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83757 +name: EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor +is_a: CHEBI:76789 ! EC 2.4.1.* (hexosyltransferase) inhibitor [Term] -id: CHEBI:57464 -name: 5'-xanthylate(2-) -is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83760 +name: EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor +is_a: CHEBI:76789 ! EC 2.4.1.* (hexosyltransferase) inhibitor [Term] -id: CHEBI:57472 -name: (N(omega)-L-arginino)succinate(1-) -is_a: CHEBI:35753 ! tricarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83762 +name: EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor +is_a: CHEBI:76789 ! EC 2.4.1.* (hexosyltransferase) inhibitor [Term] -id: CHEBI:57476 -name: L-homoserine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83767 +name: 2''-O-acetyl-ADP-D-ribose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:57481 -name: UTP(3-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +id: CHEBI:83774 +name: 1,2-dioctadecanoyl-sn-glycerol-3-phosphate +is_a: CHEBI:16337 ! phosphatidic acid +is_a: CHEBI:64864 ! 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:57484 -name: trimethylenediaminium -is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83775 +name: 1,2-dioleoyl-sn-glycerol-3-phosphate +is_a: CHEBI:60427 ! dioleoyl phosphatidic acid +is_a: CHEBI:75109 ! 1-acyl-2-oleoyl-sn-glycero-3-phosphate [Term] -id: CHEBI:57485 -name: carnosine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83776 +name: 3-oxo-23,24-bisnorchol-4-en-22-oic acid +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid [Term] -id: CHEBI:57488 -name: hydrogen phosphonatoacetate(2-) -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:83777 +name: 3-oxo-23,24-bisnorchol-4-en-22-oate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:57491 -name: staurosporinium -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:83778 +name: 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:57492 -name: isopropylaminium -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:83783 +name: (25S)-3beta-hydroxy-5-cholesten-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:57497 -name: dolichyl diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:83785 +name: 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:57499 -name: 2-oxoadipate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:35903 ! oxo carboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83792 +name: 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:57504 -name: L-dopa zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83793 +name: 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:57511 -name: cephalosporin C(1-) -is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion +id: CHEBI:83794 +name: 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:57520 -name: D-octopine dizwitterion -is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +id: CHEBI:83795 +name: 3-oxolacceroyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:57527 -name: GDP-alpha-D-mannose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83796 +name: 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oic acid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35983 ! 7-oxo monocarboxylic acid +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:47836 ! oxo seco-steroid [Term] -id: CHEBI:57533 -name: geranylgeranyl diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:83797 +name: 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oate +is_a: CHEBI:35984 ! 7-oxo monocarboxylic acid anion +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:57540 -name: NAD(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:13193 ! hydrogen acceptor -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83798 +name: N-hexanoylsphingosine 1-phosphate +is_a: CHEBI:16197 ! N-acylsphingosine 1-phosphate [Term] -id: CHEBI:57545 -name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) -is_a: CHEBI:60038 ! flavonoid oxoanion +id: CHEBI:83811 +name: proteinogenic amino acid derivative +is_a: CHEBI:83821 ! amino acid derivative [Term] -id: CHEBI:57547 -name: CDP-N-methylethanolamine(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:83812 +name: non-proteinogenic amino acid derivative +is_a: CHEBI:83821 ! amino acid derivative [Term] -id: CHEBI:57554 -name: tropinium -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:83813 +name: proteinogenic amino acid +is_a: CHEBI:33575 ! carboxylic acid +is_a: CHEBI:35352 ! organonitrogen compound [Term] -id: CHEBI:57560 -name: long-chain fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:83818 +name: morphinane-like compound +is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] -id: CHEBI:57564 -name: ADP-L-glycero-D-manno-heptose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:83819 +name: (25S)-3-oxocholest-4-en-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:57566 -name: 2'-deoxycytosine 5'-monophosphate(2-) -is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:8382 +name: prednisone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:24261 ! glucocorticoid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:47787 ! 11-oxo steroid +is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:35705 ! immunosuppressive agent +relationship: has_role CHEBI:37962 ! adrenergic agent +relationship: has_role CHEBI:50266 ! prodrug [Term] -id: CHEBI:57570 -name: dolichyl diphosphooligosaccharide(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:83820 +name: non-proteinogenic amino acid +is_a: CHEBI:33709 ! amino acid [Term] -id: CHEBI:57572 -name: UDP-D-apiose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:83821 +name: amino acid derivative +is_a: CHEBI:35352 ! organonitrogen compound [Term] -id: CHEBI:57577 -name: poly(glycerol phosphate) anion macromolecule -is_a: CHEBI:37997 ! homopolymer macromolecule -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:83822 +name: non-proteinogenic L-alpha-amino acid +is_a: CHEBI:15705 ! L-alpha-amino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:57579 -name: D-fructose 6-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83824 +name: L-cysteine derivative +is_a: CHEBI:23509 ! cysteine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57580 -name: diphthamide zwitterion -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:83828 +name: DNA polyanion +is_a: CHEBI:60164 ! ionic polymer [Term] -id: CHEBI:57585 -name: discadenine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83833 +name: peptidylproline (omega=0) residue +is_a: CHEBI:51422 ! organodiyl group [Term] -id: CHEBI:57586 -name: biotinate -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83834 +name: peptidylproline (omega=180) residue +is_a: CHEBI:51422 ! organodiyl group [Term] -id: CHEBI:57588 -name: phosphatidyl-N-methylethanolamine zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:83836 +name: UDP-beta-L-rhamnose(2-) +is_a: CHEBI:58153 ! UDP-L-rhamnose(2-) [Term] -id: CHEBI:57590 -name: O-phosphonato-L-homoserine(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83856 +name: dalpatein(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:57592 -name: cyclohexylsulfamate -is_a: CHEBI:61660 ! organic sulfamate oxoanion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:83859 +name: dalnigrein(1-) +is_a: CHEBI:60038 ! flavonoid oxoanion [Term] -id: CHEBI:57595 -name: L-histidine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -is_a: CHEBI:62031 ! polar amino acid zwitterion +id: CHEBI:8386 +name: pregnane +is_a: CHEBI:35508 ! steroid fundamental parent [Term] -id: CHEBI:57597 -name: sn-glycerol 3-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83860 +name: (25S)-26-hydroxycholest-4-en-3-one +is_a: CHEBI:63640 ! 26-hydroxycholest-4-en-3-one [Term] -id: CHEBI:57600 -name: GTP(3-) -is_a: CHEBI:37121 ! guanosine 5'-phosphate -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83861 +name: (25R)-26-hydroxycholest-4-en-3-one +is_a: CHEBI:63640 ! 26-hydroxycholest-4-en-3-one [Term] -id: CHEBI:57603 -name: ethanolaminium(1+) -is_a: CHEBI:58001 ! primary aliphatic ammonium ion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83862 +name: (25R)-3-ketocholest-4-en-26-al +is_a: CHEBI:83746 ! 3-ketocholest-4-en-26-al [Term] -id: CHEBI:57613 -name: phosphatidylethanolamine zwitterion -is_a: CHEBI:72823 ! glycerophosphoethanolamine zwitterion +id: CHEBI:83863 +name: (25S)-3-ketocholest-4-en-26-al +is_a: CHEBI:83746 ! 3-ketocholest-4-en-26-al [Term] -id: CHEBI:57614 -name: ITP(3-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83864 +name: (R)-lipoyl-AMP +is_a: CHEBI:55451 ! lipoyl-AMP [Term] -id: CHEBI:57620 -name: poly(ribitol phosphate) polyanion -is_a: CHEBI:26172 ! poly(ribitol phosphate)s -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:83865 +name: androst-5-ene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:47907 ! 3-oxo-Delta(5)-steroid +is_a: CHEBI:50402 ! androstanoid [Term] -id: CHEBI:57623 -name: prenyl diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:59544 ! phosphoantigen -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83866 +name: N-acyl-D-galactosylsphingosine +is_a: CHEBI:36498 ! galactosylceramide +is_a: CHEBI:82830 ! sphingosine-based sphingolipid [Term] -id: CHEBI:57629 -name: D-glucopyranose 1-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:83875 +name: N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) +is_a: CHEBI:84732 ! sulfohexosyl ceramide(1-) [Term] -id: CHEBI:57630 -name: gamma-amino-beta-hydroxybutyric acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83876 +name: cationic sphingoid +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:57632 -name: UDP-alpha-D-xylose(2-) -is_a: CHEBI:140359 ! UDP-monosaccharide(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83898 +name: UDP-N-acetyl-alpha-D-muramoyl-L-alaninate(3-) +is_a: CHEBI:57953 ! UDP-N-acetylmuramoyl-L-alaninate(3-) [Term] -id: CHEBI:57635 -name: UDP-alpha-D-galacturonate(3-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:83900 +name: UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate(4-) +is_a: CHEBI:57968 ! UDP-N-acetylmuramoyl-L-alanyl-D-glutamate(4-) [Term] -id: CHEBI:57642 -name: glycerone phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83903 +name: UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-L-lysinate(3-) +is_a: CHEBI:57736 ! UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine(3-) [Term] -id: CHEBI:57643 -name: 1,2-diacyl-sn-glycero-3-phosphocholine -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:64482 ! phosphatidylcholine +id: CHEBI:83905 +name: UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate(4-) +is_a: CHEBI:58582 ! UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate(4-) [Term] -id: CHEBI:57651 -name: 2-deoxy-D-ribose 5-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83912 +name: N(6)-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl)-D-lysine(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:57652 -name: chondroitin D-glucuronate anion -is_a: CHEBI:61469 ! polyanionic polymer +id: CHEBI:83914 +name: omega-hydroxy-15-methylpalmitate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:57658 -name: 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) -is_a: CHEBI:62643 ! anionic phospholipid -is_a: CHEBI:83191 ! phosphatidylinositol bisphosphate(5-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83916 +name: omega-hydroxyphytanate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion [Term] -id: CHEBI:57661 -name: O-succinyl-L-homoserinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:35693 ! dicarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:83920 +name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:35727 ! triazoles +is_a: CHEBI:83403 ! monochlorobenzenes [Term] -id: CHEBI:57667 -name: dADP(3-) -is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83921 +name: (S)-fenbuconazole +is_a: CHEBI:83920 ! 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile [Term] -id: CHEBI:57668 -name: D-ornithinium(1+) -is_a: CHEBI:33703 ! amino-acid cation -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83922 +name: (R)-fenbuconazole +is_a: CHEBI:83920 ! 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile [Term] -id: CHEBI:57673 -name: 2'-deoxyguanosine 5'-monophosphate(2-) -is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83925 +name: non-proteinogenic alpha-amino acid +is_a: CHEBI:33704 ! alpha-amino acid +is_a: CHEBI:83820 ! non-proteinogenic amino acid [Term] -id: CHEBI:57674 -name: N-acylsphingosine 1-phosphate(2-) -is_a: CHEBI:84404 ! ceramide 1-phosphate(2-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83935 +name: 15-hydroxypalmitic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid [Term] -id: CHEBI:57683 -name: dolichyl phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83936 +name: 15-hydroxypalmitate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:57685 -name: sn-glycerol 1-phosphate(2-) -is_a: CHEBI:231935 ! glycerol 1-phosphate(2-) -relationship: has_role CHEBI:78947 ! archaeal metabolite +id: CHEBI:83937 +name: 14-hydroxypalmitic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid [Term] -id: CHEBI:57691 -name: N(6)-acyl-L-lysine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83938 +name: 14-hydroxypalmitate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:57692 -name: FAD(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83939 +name: 1-acyl-2-stearoyl-sn-glycero-3-phospho-(1D-myo-inositol)(2-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:57694 -name: quercetin-7-olate -is_a: CHEBI:58588 ! flavonol oxoanion +id: CHEBI:83940 +name: 1-stearoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol)(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:57704 -name: cationic chitosan -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:83941 +name: N-acetyl-D-muramoyl-L-alaninate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:57705 -name: UDP-N-acetyl-alpha-D-glucosamine(2-) -is_a: CHEBI:140359 ! UDP-monosaccharide(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83942 +name: N(6)-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl)-D-lysine +is_a: CHEBI:35257 ! UDP-glycopeptide [Term] -id: CHEBI:57706 -name: 4-oxobutanoate -is_a: CHEBI:35974 ! 4-oxo monocarboxylic acid anion -is_a: CHEBI:71944 ! aldehydic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83943 +name: L-alanine derivative +is_a: CHEBI:22278 ! alanine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57716 -name: O-acetyl-L-homoserine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:83944 +name: D-alanine derivative +is_a: CHEBI:22278 ! alanine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:57719 -name: D-tryptophan zwitterion -is_a: CHEBI:64554 ! tryptophan zwitterion +id: CHEBI:83946 +name: N-acyl-L-alanine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative [Term] -id: CHEBI:57724 -name: dCTP(3-) -is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83951 +name: (2E,6E,10E)-omega-hydroxyfarnesol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:26199 ! polyprenol +is_a: CHEBI:36757 ! farnesane sesquiterpenoid +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:57726 -name: D-proline zwitterion -is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +id: CHEBI:83952 +name: (2E,6E,10E)-geranylgeranate +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:57735 -name: 2-oxosuccinamate -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +id: CHEBI:83953 +name: omega-hydroxygeranylgeraniol +is_a: CHEBI:13643 ! glycol +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:26199 ! polyprenol [Term] -id: CHEBI:57738 -name: 2-arylpropionate -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:83955 +name: 2-saturated fatty acid anion +is_a: CHEBI:28868 ! fatty acid anion [Term] -id: CHEBI:57739 -name: phosphatidate(2-) -is_a: CHEBI:62643 ! anionic phospholipid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83957 +name: 1-O-(1,2-saturated-alkyl)-sn-glycerol +is_a: CHEBI:15850 ! 1-O-alkyl-sn-glycerol [Term] -id: CHEBI:57746 -name: 3',5'-cyclic GMP(1-) +id: CHEBI:83958 +name: (2E,6E,10E)-omega-hydroxyfarnesyl diphosphate(3-) is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:57753 -name: vindolinium(1+) -is_a: CHEBI:60082 ! vinca alkaloid cation +id: CHEBI:83960 +name: N(omega)-(ADP-D-ribosyl)-L-arginine(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:57756 -name: sphingosine(1+) -is_a: CHEBI:84410 ! sphingoid base(1+) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83963 +name: 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58958 ! organosulfate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:57757 -name: D-threonine zwitterion -is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +id: CHEBI:83965 +name: L-arginine derivative +is_a: CHEBI:22617 ! arginine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative + +[Term] +id: CHEBI:83966 +name: D-arginine derivative +is_a: CHEBI:22617 ! arginine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:57761 -name: pyridoxaminium(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83968 +name: 3-methyl fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:57762 -name: L-valine zwitterion -is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +id: CHEBI:83969 +name: 3-methylpalmitoyl-CoA(4-) +is_a: CHEBI:83968 ! 3-methyl fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:57783 -name: NADPH(4-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion -relationship: has_role CHEBI:17499 ! hydrogen donor -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83972 +name: 3-methyl fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion [Term] -id: CHEBI:57792 -name: 1-deoxy-D-xylulose 5-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:83976 +name: 2-methyl fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion [Term] -id: CHEBI:57794 -name: dGTP(3-) -is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:83978 +name: L-aspartic acid derivative +is_a: CHEBI:22661 ! aspartic acid derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57812 -name: CMP-N-acetyl-beta-neuraminate(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83979 +name: D-aspartic acid derivative +is_a: CHEBI:22661 ! aspartic acid derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:57817 -name: sphinganine(1+) -is_a: CHEBI:84410 ! sphingoid base(1+) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83981 +name: 3-hydroxyaspartic acid +is_a: CHEBI:22661 ! aspartic acid derivative +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:66873 ! C4-dicarboxylic acid [Term] -id: CHEBI:57834 -name: spermidine(3+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:83982 +name: L-glutamic acid derivative +is_a: CHEBI:24315 ! glutamic acid derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57836 -name: 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) -is_a: CHEBI:62643 ! anionic phospholipid -is_a: CHEBI:83193 ! phosphatidylinositol trisphosphate(7-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83983 +name: D-glutamic acid derivative +is_a: CHEBI:24315 ! glutamic acid derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:57844 -name: L-methionine zwitterion -is_a: CHEBI:64558 ! methionine zwitterion +id: CHEBI:83985 +name: N(2)-acylglutamine +is_a: CHEBI:51569 ! N-acyl-amino acid +is_a: CHEBI:70813 ! glutamine derivative [Term] -id: CHEBI:57847 -name: UDP-N-acetyl-D-galactosamine(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:83989 +name: O-[S-(9Z)-hexadecenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:57852 -name: prephenate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:83991 +name: imidothioate +is_a: CHEBI:16385 ! organic sulfide +is_a: CHEBI:35352 ! organonitrogen compound [Term] -id: CHEBI:57853 -name: hypotaurine zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:83992 +name: beta-D-glucosylsphingosine(1+) +is_a: CHEBI:62495 ! D-glucosylsphingosine(1+) [Term] -id: CHEBI:57856 -name: S-adenosyl-L-homocysteine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84023 +name: 9(10)-EpOME(1-) +is_a: CHEBI:133586 ! epoxyoctadecenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:57858 -name: atropinium -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84024 +name: 14,15-EET(1-) +is_a: CHEBI:131865 ! EET(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:57861 -name: dethiobiotin(1-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84025 +name: 8,9-EET(1-) +is_a: CHEBI:131865 ! EET(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:57862 -name: diphthamide(2+) residue -is_a: CHEBI:58943 ! alpha-amino-acid cation residue +id: CHEBI:84026 +name: vernolate +is_a: CHEBI:133586 ! epoxyoctadecenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:57865 -name: uridine 5'-monophosphate(2-) -is_a: CHEBI:138238 ! pyrimidine ribonucleoside 5'-monophosphate(2-) -is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate -is_a: CHEBI:26446 ! pyrimidine ribonucleotide -is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84027 +name: 9,10-DiHOME(1-) +is_a: CHEBI:131870 ! hydroxy monounsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:57866 -name: 3-methylthiopropylaminium -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84028 +name: 12,13-DiHOME(1-) +is_a: CHEBI:131870 ! hydroxy monounsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:57867 -name: nucleoside 5'-phosphate dianion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84029 +name: (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoate +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:57869 -name: 6-aminopenicillanic acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84031 +name: (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoate +is_a: CHEBI:133539 ! hydroxyicosatrienoate [Term] -id: CHEBI:57871 -name: codeine(1+) -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84032 +name: (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:57873 -name: (S)-reticulinium(1+) -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84041 +name: 2-O-palmitoyl-alpha,alpha-trehalose +is_a: CHEBI:62546 ! monoacyl alpha,alpha-trehalose +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57876 -name: CDP-ethanolamine(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84042 +name: 2,3-dipalmitoyl-alpha,alpha-trehalose +is_a: CHEBI:62547 ! polyacyl alpha,alpha-trehalose +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57880 -name: 1-phosphatidyl-1D-myo-inositol(1-) -is_a: CHEBI:62643 ! anionic phospholipid -is_a: CHEBI:78231 ! 1,2-diacylglycero-3-phospho-1-inositol(1-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84046 +name: pyoverdine +is_a: CHEBI:25676 ! oligopeptide +is_a: CHEBI:26507 ! dihydroxyquinoline +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:26672 ! siderophore +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57887 -name: tryptaminium -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84055 +name: pentose phosphate +is_a: CHEBI:33447 ! phospho sugar +is_a: CHEBI:63409 ! pentose derivative [Term] -id: CHEBI:57894 -name: berbamuninium(2+) -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84059 +name: octyl palmitate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57895 -name: 1D-myo-inositol 1,3,4,5-tetrakisphosphate(8-) -is_a: CHEBI:76301 ! inositol phosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84062 +name: nonyl palmitate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57912 -name: L-tryptophan zwitterion -is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion -is_a: CHEBI:64554 ! tryptophan zwitterion +id: CHEBI:84063 +name: decyl palmitate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57917 -name: 4-nitrophenolate -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:84064 +name: myristyl palmitate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57920 -name: bis(3-azaniumylpropyl)azanium -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84065 +name: arachidyl palmitate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:25835 ! hexadecanoate ester [Term] -id: CHEBI:57922 -name: coenzyme gamma-F420-2(5-) -is_a: CHEBI:26554 ! ribitol phosphate -is_a: CHEBI:35753 ! tricarboxylic acid anion -is_a: CHEBI:58944 ! dialkyl phosphate anion -is_a: CHEBI:59535 ! pyrimidoquinolines +id: CHEBI:84066 +name: stearyl palmitate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:64857 ! cosmetic +relationship: has_role CHEBI:76498 ! coral metabolite [Term] -id: CHEBI:57923 -name: 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) -is_a: CHEBI:62643 ! anionic phospholipid -is_a: CHEBI:83191 ! phosphatidylinositol bisphosphate(5-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84067 +name: tetradecanal +is_a: CHEBI:17176 ! long-chain fatty aldehyde +is_a: CHEBI:84587 ! 2,3-saturated fatty aldehyde +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:57925 -name: glutathionate(1-) -is_a: CHEBI:60334 ! peptide anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84069 +name: pentanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:57926 -name: L-threonine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84072 +name: hexadecyl elaidate +is_a: CHEBI:10036 ! wax ester [Term] -id: CHEBI:57930 -name: nucleoside 5'-diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84076 +name: L-histidine derivative +is_a: CHEBI:24599 ! histidine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57931 -name: D-ribofuranosyl-ADP(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:84080 +name: palmityl laurate +is_a: CHEBI:10036 ! wax ester +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:57932 -name: D-methionine zwitterion -is_a: CHEBI:64558 ! methionine zwitterion +id: CHEBI:84087 +name: human urinary metabolite +is_a: CHEBI:77746 ! human metabolite [Term] -id: CHEBI:57939 -name: sphinganine 1-phosphate(1-) -is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84090 +name: hydroxyretinoic glucuronide +is_a: CHEBI:24302 ! glucosiduronic acid +is_a: CHEBI:26537 ! retinoid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:57942 -name: chlorophyllide a(1-) -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +id: CHEBI:84092 +name: 4-(beta-D-glucopyranuronosyloxy)retinoic acid +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:84090 ! hydroxyretinoic glucuronide [Term] -id: CHEBI:57945 -name: NADH(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:17499 ! hydrogen donor -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84095 +name: 2,6-dimethylheptanoyl carnitine +is_a: CHEBI:17387 ! O-acylcarnitine +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35284 ! ammonium betaine +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:57947 -name: creatine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84105 +name: ketoretinoic acid glucuronide +is_a: CHEBI:24302 ! glucosiduronic acid +is_a: CHEBI:26537 ! retinoid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:57951 -name: L-saccharopinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:35753 ! tricarboxylic acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84107 +name: 1-O-(4-oxoretinoyl)-beta-D-glucuronic acid +is_a: CHEBI:15341 ! beta-D-glucosiduronic acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:84105 ! ketoretinoic acid glucuronide [Term] -id: CHEBI:57954 -name: 3-cyano-L-alaninate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -is_a: CHEBI:66934 ! cyanoamino acid anion +id: CHEBI:84111 +name: L-isoleucine derivative +is_a: CHEBI:24899 ! isoleucine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57957 -name: lipid X(2-) -is_a: CHEBI:137180 ! 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84113 +name: D-isoleucine derivative +is_a: CHEBI:24899 ! isoleucine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:57959 -name: L-kynurenine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84118 +name: ganglioside GM3 +is_a: CHEBI:15681 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +is_a: CHEBI:36544 ! sialodiosylceramide [Term] -id: CHEBI:57966 -name: beta-alanine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84121 +name: L-methionine derivative +is_a: CHEBI:25230 ! methionine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57967 -name: ADP-D-ribose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84122 +name: D-methionine derivative +is_a: CHEBI:25230 ! methionine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:57970 -name: 1-acyl-sn-glycerol 3-phosphate(2-) -is_a: CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) -is_a: CHEBI:78166 ! 2-lysophosphatidate(2-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84123 +name: advanced glycation end-product +is_a: CHEBI:63299 ! carbohydrate derivative [Term] -id: CHEBI:57972 -name: L-alanine zwitterion -is_a: CHEBI:66916 ! alanine zwitterion +id: CHEBI:84124 +name: D-tyrosine derivative +is_a: CHEBI:62761 ! tyrosine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +is_a: CHEBI:84143 ! D-phenylalanine derivative [Term] -id: CHEBI:57977 -name: bilirubin(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:59252 ! linear tetrapyrrole anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84127 +name: 2-carboxyacyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:57981 -name: D-phenylalanine zwitterion -is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +id: CHEBI:84128 +name: 2-carboxyacyl CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:57984 -name: GDP-L-fucose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84129 +name: L-valine derivative +is_a: CHEBI:27267 ! valine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:57986 -name: riboflavin(1-) -is_a: CHEBI:25696 ! organic anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84133 +name: D-serine derivative +is_a: CHEBI:26649 ! serine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:57990 -name: 2-dehydro-3-deoxy-D-gluconate -is_a: CHEBI:33721 ! carbohydrate acid anion -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion +id: CHEBI:84135 +name: L-serine derivative +is_a: CHEBI:26649 ! serine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:58001 -name: primary aliphatic ammonium ion -is_a: CHEBI:65296 ! primary ammonium ion +id: CHEBI:84138 +name: (3R)-3,6-diammoniohexanoate(1+) +is_a: CHEBI:33703 ! amino-acid cation [Term] -id: CHEBI:58007 -name: streptomycin(3+) -is_a: CHEBI:60251 ! guanidinium ion +id: CHEBI:84139 +name: myo-inositol phosphate(2-) +is_a: CHEBI:67140 ! phosphate monoester dianion +is_a: CHEBI:76301 ! inositol phosphate oxoanion [Term] -id: CHEBI:58017 -name: 5-O-phosphonato-alpha-D-ribofuranosyl diphosphate(5-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84140 +name: myo-inositol monophosphate derivative +is_a: CHEBI:25703 ! organic phosphate [Term] -id: CHEBI:58025 -name: octopaminium -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84141 +name: 1D-myo-inositol 5-phosphate(2-) +is_a: CHEBI:84139 ! myo-inositol phosphate(2-) [Term] -id: CHEBI:58027 -name: glyceraldehyde 3-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84142 +name: 1D-myo-inositol 2-phosphate(2-) +is_a: CHEBI:84139 ! myo-inositol phosphate(2-) [Term] -id: CHEBI:58040 -name: dimethylaminium -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:58855 ! secondary aliphatic ammonium ion +id: CHEBI:84143 +name: D-phenylalanine derivative +is_a: CHEBI:25985 ! phenylalanine derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:58043 -name: nucleoside 5'-monophosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84144 +name: L-phenylalanine derivative +is_a: CHEBI:25985 ! phenylalanine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:58045 -name: L-isoleucine zwitterion -is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +id: CHEBI:84145 +name: 3beta-hydroxycholest-5-en-26-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36884 ! 26-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58046 -name: 3,5-dibromo-4-oxidobenzonitrile(1-) -is_a: CHEBI:50525 ! phenolate anion +id: CHEBI:84146 +name: 3beta-hydroxycholest-5-en-26-oate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:58048 -name: L-asparagine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84149 +name: 4-hydroxy-6-undecylpyran-2-one +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58052 -name: UDP-alpha-D-glucuronate(3-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84150 +name: 4-hydroxy-6-(2-oxotridecyl)pyran-2-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58053 -name: IMP(2-) -is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84153 +name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:65090 ! 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol +is_a: CHEBI:90432 ! phosphatidylinositol(18:0/20:4) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:58057 -name: geranyl diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84162 +name: (2E,6E)-farnesoic acid +is_a: CHEBI:36969 ! farnesoic acid +relationship: has_role CHEBI:75767 ! animal metabolite [Term] -id: CHEBI:58065 -name: homocysteine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84163 +name: anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) betaine +is_a: CHEBI:51978 ! oxonium betaine [Term] -id: CHEBI:58069 -name: CDP(3-) -is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84166 +name: 2-methoxy-6-all-trans-polyprenylhydroquinone +is_a: CHEBI:26253 ! polyprenylhydroquinone [Term] -id: CHEBI:58070 -name: dehydroascorbide(1-) -is_a: CHEBI:25696 ! organic anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84167 +name: 2-methoxy-3-methyl-6-all-trans-polyprenylhydroquinone +is_a: CHEBI:26253 ! polyprenylhydroquinone [Term] -id: CHEBI:58072 -name: carbon monoxide(1+) -is_a: CHEBI:25697 ! organic cation +id: CHEBI:84168 +name: 4-hydroxy-6-pentadecylpyran-2-one +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58074 -name: D-nopalinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:84169 +name: 4-hydroxy-6-heptadecylpyran-2-one +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58083 -name: glycerol 2-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84170 +name: 4-hydroxy-6-nonadecylpyran-2-one +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58092 -name: N-phosphocreatinate(2-) -is_a: CHEBI:60345 ! organic phosphoramidate anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84171 +name: 4-hydroxy-6-(2-oxoheptadecyl)pyran-2-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58095 -name: L-phenylalanine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84172 +name: 4-hydroxy-6-(2-oxononadecyl)pyran-2-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58097 -name: morphine(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84173 +name: 4-hydroxy-6-(2-oxohenicosyl)pyran-2-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58103 -name: 5,6,7,8-tetrahydromethanopterin(3-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84174 +name: 12-HPE(8,10,14)TrE +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid [Term] -id: CHEBI:58104 -name: nucleoside triphosphate(3-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +id: CHEBI:84175 +name: 2-methylhexadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:78124 ! fatty acid anion 17:0 +is_a: CHEBI:83976 ! 2-methyl fatty acid anion [Term] -id: CHEBI:58115 -name: guanosine 5'-monophosphate(2-) -is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84176 +name: 12-methyloctadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:78892 ! fatty acid anion 19:0 [Term] -id: CHEBI:58117 -name: (S)-2-acetamido-6-oxopimelate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:84177 +name: 14-HPDHE +is_a: CHEBI:131863 ! docosanoid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:64009 ! hydroperoxy fatty acid [Term] -id: CHEBI:58123 -name: (2S)-2-hydroxy monocarboxylic acid anion -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:84180 +name: 10-HPO(6,8,12)TrE +is_a: CHEBI:134615 ! hydroperoxyoctadecatrienoic acid [Term] -id: CHEBI:58130 -name: myo-inositol hexakisphosphate(12-) -is_a: CHEBI:76301 ! inositol phosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84181 +name: 12-methyloctadecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:58144 -name: (R)-reticulinium(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84182 +name: 2-methylhexadecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:58145 -name: agmatinium(2+) -is_a: CHEBI:60251 ! guanidinium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84183 +name: 3-methylundecanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:83968 ! 3-methyl fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:58149 -name: 3-hydroxyphenylacetate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:84184 +name: 3-methylundecanoate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:78119 ! fatty acid anion 12:0 +is_a: CHEBI:83972 ! 3-methyl fatty acid anion [Term] -id: CHEBI:58151 -name: methanofuranate(4-) -is_a: CHEBI:60334 ! peptide anion +id: CHEBI:84185 +name: D-proline derivative +is_a: CHEBI:26273 ! proline derivative +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:58164 -name: (S)-atropinium -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84186 +name: L-proline derivative +is_a: CHEBI:26273 ! proline derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:58165 -name: 3',5'-cyclic AMP(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84187 +name: 2-epi-5-epi-valiolone +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:36132 ! alicyclic ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58180 -name: L-arogenate(1-) -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:84189 +name: L-threonine derivative +is_a: CHEBI:26987 ! threonine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative [Term] -id: CHEBI:58187 -name: alginate -is_a: CHEBI:33721 ! carbohydrate acid anion -is_a: CHEBI:60164 ! ionic polymer +id: CHEBI:84190 +name: D-galactaro-1,5-lactone +is_a: CHEBI:33720 ! carbohydrate acid +is_a: CHEBI:37426 ! aldarolactone +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:58189 -name: GDP(3-) -is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84191 +name: D-glucaro-1,5-lactone +is_a: CHEBI:17849 ! glucarolactone +is_a: CHEBI:33720 ! carbohydrate acid [Term] -id: CHEBI:58190 -name: O-phosphonatoethanaminium(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84193 +name: isomyristate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion +is_a: CHEBI:67013 ! methyl-branched fatty acid anion +is_a: CHEBI:78121 ! fatty acid anion 14:0 [Term] -id: CHEBI:58192 -name: quercitrin-7-olate -is_a: CHEBI:60038 ! flavonoid oxoanion +id: CHEBI:84194 +name: hydroxytryptophan +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:27164 ! tryptophan derivative [Term] -id: CHEBI:58193 -name: 3alpha(S)-strictosidinium(1+) -is_a: CHEBI:60521 ! indole alkaloid cation +id: CHEBI:84195 +name: isomyristoyl-CoA(4-) +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:58199 -name: L-homocysteine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:84196 +name: 3-hydroxy fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:58210 -name: FMN(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:23354 ! coenzyme -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84197 +name: 3-hydroxytetradecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion [Term] -id: CHEBI:58212 -name: dUTP(3-) -is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84198 +name: 3-hydroxytetradecanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:58214 -name: kanamycin A(4+) -is_a: CHEBI:25697 ! organic cation -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:84201 +name: 12-hydroxyoctadecanoate +is_a: CHEBI:131872 ! hydroxy saturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:58215 -name: guanosine 3',5'-bis(diphosphate)(6-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84202 +name: 12-hydroxyoctadecanoyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:58217 -name: pentachlorophenolate -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:84203 +name: 15-hydroxypentadecanoate +is_a: CHEBI:140992 ! omega-hydroxy-long-chain fatty acid anion [Term] -id: CHEBI:58223 -name: UDP(3-) -is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84204 +name: omega-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:58224 -name: GDP-6-deoxy-alpha-D-mannose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:84205 +name: 15-hydroxypentadecanoyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:84204 ! omega-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:58228 -name: carbamoyl phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84206 +name: 5-formyl-2-furoic acid +is_a: CHEBI:26643 ! aldehydic acid +is_a: CHEBI:33855 ! arenecarbaldehyde +is_a: CHEBI:36055 ! furoic acid [Term] -id: CHEBI:58231 -name: CTP(3-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +id: CHEBI:84207 +name: 16-hydroxyhexadecanoyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:84204 ! omega-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:84948 ! 11,12-saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:58243 -name: 5'-adenylyl sulfate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -is_a: CHEBI:58958 ! organosulfate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84208 +name: selenocysteine derivative +is_a: CHEBI:83821 ! amino acid derivative [Term] -id: CHEBI:58245 -name: 2'-deoxyadenosine 5'-monophosphate(2-) -is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:77746 ! human metabolite -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:84209 +name: L-selenocysteine derivative +is_a: CHEBI:83811 ! proteinogenic amino acid derivative +is_a: CHEBI:84208 ! selenocysteine derivative [Term] -id: CHEBI:58249 -name: (S,S,S)-nicotianamine trizwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84211 +name: 5-(dihydroxymethyl)-2-furoic acid +is_a: CHEBI:36055 ! furoic acid +is_a: CHEBI:63733 ! aldehyde hydrate [Term] -id: CHEBI:58252 -name: S-methyl-L-methionine zwitterion -is_a: CHEBI:26830 ! sulfonium compound +id: CHEBI:84212 +name: furan-2,5-dicarboxylic acid +is_a: CHEBI:24129 ! furans +is_a: CHEBI:35692 ! dicarboxylic acid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:58273 -name: aldehydo-D-ribose 5-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:84213 +name: 4-(phosphooxymethyl)-2-furancarboxaldehyde +is_a: CHEBI:24129 ! furans +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:33855 ! arenecarbaldehyde +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58277 -name: dehydro-D-arabinono-1,4-lactone(1-) -is_a: CHEBI:25696 ! organic anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84214 +name: 9-decenoyl-CoA(4-) +is_a: CHEBI:77632 ! unsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:58280 -name: IDP(3-) -is_a: CHEBI:57930 ! nucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84215 +name: gamma-glutamyltyramine +is_a: CHEBI:24317 ! L-glutamine derivative +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58290 -name: trypanothione(1+) -is_a: CHEBI:25697 ! organic cation +id: CHEBI:84217 +name: [5-(aminomethyl)-3-furyl]methyl phosphate +is_a: CHEBI:24129 ! furans +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58304 -name: 2-oxo-2H-pyran-4,6-dicarboxylate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:84234 +name: 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71727 ! phosphatidylethanolamine 36:1 zwitterion [Term] -id: CHEBI:58307 -name: FADH2(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84238 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate) +is_a: CHEBI:16618 ! 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:58314 -name: (2R)-2-hydroxy monocarboxylic acid anion -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:84240 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate) +is_a: CHEBI:16152 ! 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:58315 -name: L-tyrosine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84241 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) +is_a: CHEBI:18348 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:58318 -name: N-carbamoylputrescinium(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84244 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate) +is_a: CHEBI:16618 ! 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate [Term] -id: CHEBI:58319 -name: coenzyme M(1-) -is_a: CHEBI:33554 ! organosulfonate oxoanion +id: CHEBI:84246 +name: 4-hydroxy-6-heptylpyran-2-one +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58326 -name: N(omega),N(omega)-dimethyl-L-argininium(1+) -is_a: CHEBI:133775 ! dimethylargininium(1+) +id: CHEBI:84247 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate) +is_a: CHEBI:16152 ! 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate [Term] -id: CHEBI:58332 -name: CDP-diacylglycerol(2-) -is_a: CHEBI:62643 ! anionic phospholipid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84251 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) +is_a: CHEBI:18348 ! 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate [Term] -id: CHEBI:58339 -name: 3'-phosphonato-5'-adenylyl sulfate(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion -is_a: CHEBI:58958 ! organosulfate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84253 +name: 4-hydroxy-5-methyl-6-pentadecylpyran-2-one +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58341 -name: UDP-L-arabinose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:84255 +name: 4-hydroxy-5-methyl-6-heptadecylpyran-2-one +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:58342 -name: acyl-CoA(4-) -is_a: CHEBI:58946 ! acyl-CoA oxoanion +id: CHEBI:84263 +name: 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) +is_a: CHEBI:17526 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate [Term] -id: CHEBI:58343 -name: adenosine 3',5'-bismonophosphate(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84264 +name: EC 3.5.1.19 (nicotinamidase) inhibitor +is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] -id: CHEBI:58349 -name: NADP(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:13193 ! hydrogen acceptor -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84266 +name: 1,2-ditetradecanoyl-sn-glycerol-3-phosphate +is_a: CHEBI:64873 ! 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:58355 -name: GDP-L-galactose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:84274 +name: (E)-dodec-2-enoate +is_a: CHEBI:2580 ! unsaturated fatty acid anion +is_a: CHEBI:59558 ! medium-chain fatty acid anion [Term] -id: CHEBI:58359 -name: L-glutamine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -is_a: CHEBI:62031 ! polar amino acid zwitterion -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:84276 +name: methyl phenyl(piperidin-2-yl)acetate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26151 ! piperidines +is_a: CHEBI:85139 ! beta-amino acid ester [Term] -id: CHEBI:58360 -name: 1-aminocyclopropanecarboxylic acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84291 +name: organic sulfur anion +is_a: CHEBI:25696 ! organic anion +is_a: CHEBI:26835 ! sulfur molecular entity [Term] -id: CHEBI:58361 -name: diphthinate -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84299 +name: 1-myristoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64381 ! 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:72381 ! lysophosphatidylethanolamine zwitterion 14:0 +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:58367 -name: UDP-D-glucose(2-) -is_a: CHEBI:76533 ! NDP-alpha-D-glucose(2-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84300 +name: 1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:71712 ! phosphatidylethanolamine 32:1 zwitterion +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:58369 -name: dTDP(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84302 +name: trilinoleoyl 2-monolysocardiolipin +is_a: CHEBI:60430 ! 2-monolysocardiolipin [Term] -id: CHEBI:58370 -name: dTTP(3-) -is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84303 +name: 2-carboxytetracosanoyl-CoA +is_a: CHEBI:84127 ! 2-carboxyacyl-CoA [Term] -id: CHEBI:58384 -name: cadaverine(2+) -is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84305 +name: 2-carboxyhexacosanoyl-CoA +is_a: CHEBI:84127 ! 2-carboxyacyl-CoA [Term] -id: CHEBI:58389 -name: trimethylammonium -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:84310 +name: anticapsin zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:85011 ! EC 2.6.1.19 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor [Term] -id: CHEBI:58396 -name: aerobactinate(3-) -is_a: CHEBI:27092 ! tricarboxylic acid trianion +id: CHEBI:84311 +name: bacilysin zwitterion +is_a: CHEBI:90799 ! dipeptide zwitterion [Term] -id: CHEBI:58404 -name: (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84312 +name: dodecanoyl-AMP +is_a: CHEBI:83621 ! fatty acyl-AMP [Term] -id: CHEBI:58414 -name: 1D-myo-inositol 1,3,4-trisphosphate(6-) -is_a: CHEBI:76301 ! inositol phosphate oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84315 +name: L-arginyl-L-alpha-amino acid(1+) +is_a: CHEBI:60194 ! peptide cation [Term] -id: CHEBI:58416 -name: chlorophyll a(1-) -is_a: CHEBI:139291 ! chlorophyll(1-) -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +id: CHEBI:84317 +name: 1-acyl-2-stearoyl-sn-glycero-3-phospho-(1D-myo-inositol) +is_a: CHEBI:16749 ! 1-phosphatidyl-1D-myo-inositol [Term] -id: CHEBI:58419 -name: 4-hydroxy-L-proline zwitterion -is_a: CHEBI:63137 ! 4-hydroxyproline zwitterion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84320 +name: dapdiamide A zwitterion +is_a: CHEBI:60466 ! peptide zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58422 -name: chondroitin 4'-sulfate anion -is_a: CHEBI:29067 ! carboxylic acid anion -is_a: CHEBI:58958 ! organosulfate oxoanion -is_a: CHEBI:61469 ! polyanionic polymer +id: CHEBI:84321 +name: dapdiamide B zwitterion +is_a: CHEBI:60466 ! peptide zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58429 -name: alpha,alpha-trehalose 6-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84322 +name: dapdiamide C zwitterion +is_a: CHEBI:60466 ! peptide zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58431 -name: jasmonate(1-) -is_a: CHEBI:136184 ! jasmonic acid anion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84330 +name: N(3)-fumaroyl-(S)-2,3-diaminopropanoate +is_a: CHEBI:33558 ! alpha-amino-acid anion [Term] -id: CHEBI:58432 -name: histaminium -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:75771 ! mouse metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84331 +name: N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:58436 -name: phosphatidyl-L-serine(1-) -is_a: CHEBI:58944 ! dialkyl phosphate anion +id: CHEBI:84335 +name: 2-hydroxymyristate +is_a: CHEBI:139187 ! 2-hydroxy fatty acid anion 14:0 +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:58437 -name: deamido-NAD(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84341 +name: cholesteryl linolenate +is_a: CHEBI:132004 ! cholesteryl octadecatrienoate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:58439 -name: UDP-D-galactose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84342 +name: nogalaviketone(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:58442 -name: pyrroloquinoline quinone(3-) -is_a: CHEBI:27092 ! tricarboxylic acid trianion +id: CHEBI:84345 +name: methyl nogalonate(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:58448 -name: L-thyroxine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84346 +name: cholesteryl all-cis-icosa-8,11,14-trienoate +is_a: CHEBI:138331 ! cholesteryl icosatrienoate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:58454 -name: kynurenate -is_a: CHEBI:38773 ! quinolinemonocarboxylate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84354 +name: (4R)-3,4-dihydro-4-hydroxyphenylpyruvate +is_a: CHEBI:64788 ! 3,4-dihydro-4-hydroxyphenylpyruvate [Term] -id: CHEBI:58456 -name: 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) -is_a: CHEBI:62643 ! anionic phospholipid -is_a: CHEBI:83191 ! phosphatidylinositol bisphosphate(5-) +id: CHEBI:84355 +name: 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate +is_a: CHEBI:64789 ! 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58462 -name: 7,8-dihydroneopterin 3'-triphosphate(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84358 +name: L-dihydroanticapsin zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:58464 -name: nucleoside 3',5'-cyclic phosphate anion +id: CHEBI:84359 +name: 3-hydroxy-2,4-dioxopentyl phosphate(2-) is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58465 -name: dermatan sulfate polyanion -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58958 ! organosulfate oxoanion -is_a: CHEBI:61469 ! polyanionic polymer +id: CHEBI:84361 +name: 5-epi-valiolone +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:36132 ! alicyclic ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58477 -name: N(omega)-phosphonato-L-arginine -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:84362 +name: 2-epi-5-epi-valiolone 7-phosphate(2-) is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:58497 -name: N-acyl-L-aspartate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:84363 +name: acarbose(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:58499 -name: L-pyrrolysine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84374 +name: 3-ammonio-L-alanine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:58515 -name: ectoine zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:84387 +name: (1s,4s)-prephenic acid +is_a: CHEBI:16666 ! prephenic acid [Term] -id: CHEBI:58527 -name: D-ribosylnicotinate -is_a: CHEBI:35284 ! ammonium betaine -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84398 +name: tetralinoleoyl cardiolipin +is_a: CHEBI:28494 ! cardiolipin [Term] -id: CHEBI:58540 -name: (Kdo)2-lipid A(6-) (E. coli) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:62643 ! anionic phospholipid -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:84399 +name: 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin +is_a: CHEBI:28494 ! cardiolipin [Term] -id: CHEBI:58549 -name: kanamycin B(5+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84400 +name: 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin +is_a: CHEBI:28494 ! cardiolipin [Term] -id: CHEBI:58553 -name: 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84403 +name: phytoceramides +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:58556 -name: (S)-2-amino-6-oxopimelate -is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84404 +name: ceramide 1-phosphate(2-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:58567 -name: ajmalinium -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84410 +name: sphingoid base(1+) +is_a: CHEBI:83876 ! cationic sphingoid [Term] -id: CHEBI:58570 -name: D-tyrosine zwitterion -is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +id: CHEBI:84411 +name: 3-dehydrosphingoid base(1+) +is_a: CHEBI:83876 ! cationic sphingoid [Term] -id: CHEBI:58573 -name: kaempferol oxoanion -is_a: CHEBI:58588 ! flavonol oxoanion +id: CHEBI:84412 +name: tetradecanoyl-AMP +is_a: CHEBI:137376 ! long-chain fatty acyl-AMP [Term] -id: CHEBI:58579 -name: beta-D-fructofuranose 2,6-bisphosphate(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84414 +name: hexadecanoyl-AMP +is_a: CHEBI:137376 ! long-chain fatty acyl-AMP [Term] -id: CHEBI:58580 -name: tetrahydrofolyl-poly(glutamate) macromolecule -is_a: CHEBI:53368 ! ionic macromolecule +id: CHEBI:84417 +name: 1,2-di-palmitoleoyl-2-sn-glycerol +is_a: CHEBI:17815 ! 1,2-diacyl-sn-glycerol +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:58588 -name: flavonol oxoanion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:84422 +name: 3-demethylubiquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone [Term] -id: CHEBI:58593 -name: dCDP(3-) -is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84423 +name: 3-demethylubiquinol-9 +is_a: CHEBI:84422 ! 3-demethylubiquinol [Term] -id: CHEBI:58595 -name: dGDP(3-) -is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84424 +name: ubiquinol-9 +is_a: CHEBI:17976 ! ubiquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone +relationship: has_role CHEBI:75768 ! mammalian metabolite + +[Term] +id: CHEBI:84425 +name: 9-PAHSA +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:84426 ! FAHFA +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:58596 -name: coenzyme B(3-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84426 +name: FAHFA +is_a: CHEBI:35366 ! fatty acid +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:58627 -name: gibberellin A12(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:59139 ! gibberellin carboxylic acid anion +id: CHEBI:84427 +name: 1-heptadecanoyl-2-lauroyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:64865 ! 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:58635 -name: 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84428 +name: 1-heptadecanoyl-2-myristoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:58641 -name: N,N-dimethylethanolamine phosphate(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84429 +name: 1-heptadecanoyl-2-stearoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:58658 -name: alpha-D-galacturonate -is_a: CHEBI:33721 ! carbohydrate acid anion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84430 +name: 1-heptadecanoyl-2-palmitoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:58608 ! 1,2-diacyl-sn-glycerol 3-phosphate(2-) [Term] -id: CHEBI:58669 -name: but-2-enoyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) +id: CHEBI:84431 +name: 3-demethylubiquinol-7 +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:84422 ! 3-demethylubiquinol [Term] -id: CHEBI:58690 -name: 1,6-anhydro-N-acetyl-beta-muramate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:84432 +name: ubiquinol-7 +is_a: CHEBI:17976 ! ubiquinol +is_a: CHEBI:26253 ! polyprenylhydroquinone [Term] -id: CHEBI:58695 -name: D-tagatofuranose 6-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84442 +name: 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid +is_a: CHEBI:25238 ! methoxybenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:5870 -name: imidacloprid -is_a: CHEBI:38261 ! imidazolidines -is_a: CHEBI:39172 ! monochloropyridine -relationship: has_role CHEBI:25540 ! neonicotinoid insectide -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist -relationship: has_role CHEBI:50902 ! genotoxin -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:84443 +name: 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate +is_a: CHEBI:24675 ! hydroxybenzoate +is_a: CHEBI:25236 ! methoxybenzoate + +[Term] +id: CHEBI:84445 +name: N-acylheptadecasphingosine +is_a: CHEBI:17761 ! ceramide + +[Term] +id: CHEBI:84446 +name: 3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid + +[Term] +id: CHEBI:84447 +name: (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid +is_a: CHEBI:19138 ! 12-HETE +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:58702 -name: phosphonatoenolpyruvate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:84450 +name: 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate +is_a: CHEBI:64694 ! 3,4-dihydroxy-5-polyprenylbenzoate [Term] -id: CHEBI:58705 -name: N-acetyl-beta-neuraminate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:84451 +name: 3,4-dihydroxy-5-all-trans-octaprenylbenzoic acid +is_a: CHEBI:23778 ! dihydroxybenzoic acid [Term] -id: CHEBI:58708 -name: UDP-4-amino-4-deoxy-beta-L-arabinopyranose(1-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:84452 +name: 3,4-dihydroxy-5-all-trans-octaprenylbenzoate +is_a: CHEBI:64694 ! 3,4-dihydroxy-5-polyprenylbenzoate [Term] -id: CHEBI:58709 -name: UDP-4-deoxy-4-formamido-beta-L-arabinopyranose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:84453 +name: 3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoic acid +is_a: CHEBI:84442 ! 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid [Term] -id: CHEBI:58711 -name: 4-azaniumyl-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:84454 +name: 3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate +is_a: CHEBI:84443 ! 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate [Term] -id: CHEBI:58712 -name: lipid A(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion -is_a: CHEBI:60086 ! lipid A oxoanion +id: CHEBI:84455 +name: 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoic acid +is_a: CHEBI:84442 ! 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid [Term] -id: CHEBI:58714 -name: beta-L-Ara4N-lipid A(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -is_a: CHEBI:60086 ! lipid A oxoanion +id: CHEBI:84456 +name: 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate +is_a: CHEBI:84443 ! 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate [Term] -id: CHEBI:58717 -name: S-substituted L-cysteine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84461 +name: 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:57262 ! 3-sn-phosphatidyl-L-serine(1-) [Term] -id: CHEBI:58720 -name: D-glucopyranuronate -is_a: CHEBI:33721 ! carbohydrate acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84462 +name: 1-heptadecanoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:64379 ! 1-acyl-sn-glycero-3-phosphoserine(1-) [Term] -id: CHEBI:58723 -name: 2-ammonio-2-deoxy-D-glucopyranose -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84465 +name: acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:60479 ! lysophosphatidylcholine [Term] -id: CHEBI:58759 -name: 6-phosphonatooxy-D-gluconate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58945 ! organophosphate oxoanion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:84466 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine(1-) +is_a: CHEBI:72066 ! phosphatidylserine 36:2(1-) [Term] -id: CHEBI:58779 -name: CDP-choline(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84467 +name: 1-stearoyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:64379 ! 1-acyl-sn-glycero-3-phosphoserine(1-) +is_a: CHEBI:72408 ! lysophosphatidylserine 18:0(1-) [Term] -id: CHEBI:58805 -name: c-di-GMP(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84468 +name: 12-PAHSA +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:84426 ! FAHFA +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:58855 -name: secondary aliphatic ammonium ion -is_a: CHEBI:137419 ! secondary ammonium ion +id: CHEBI:84470 +name: 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:72427 ! phosphatidylcholine 37:4 [Term] -id: CHEBI:58882 -name: phosphinothricin(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:84472 +name: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol(1-) +is_a: CHEBI:60523 ! phosphatidylglycerol(1-) [Term] -id: CHEBI:58896 -name: 2-hydroxy carboxylate -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:84473 +name: 1-alkyl-2-methyl-sn-glycerol +is_a: CHEBI:52575 ! alkylglycerol [Term] -id: CHEBI:58906 -name: sphingosine-1-phosphocholine(1+) -is_a: CHEBI:35274 ! ammonium ion -is_a: CHEBI:85171 ! sphingoid-1-phosphocholine(1+) +id: CHEBI:84475 +name: 1-palmitoyl-sn-glycero-3-phosphoglycerol(1-) +is_a: CHEBI:75111 ! 1-acyl-sn-glycero-3-phosphoglycerol(1-) [Term] -id: CHEBI:58937 -name: thiamine(1+) diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84481 +name: N,O-diacylethanolamine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:33308 ! carboxylic ester [Term] -id: CHEBI:58941 -name: cyclic tetrapyrrole anion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:84483 +name: 1-O-acyl-N-acetylsphingosine +is_a: CHEBI:76222 ! 1-O-acyl-N-acylsphingosine [Term] -id: CHEBI:58942 -name: amino-acid cation residue -is_a: CHEBI:64769 ! organic cationic group +id: CHEBI:84489 +name: 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64612 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:58943 -name: alpha-amino-acid cation residue -is_a: CHEBI:58942 ! amino-acid cation residue +id: CHEBI:84490 +name: 1-heptadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion +is_a: CHEBI:64381 ! 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion [Term] -id: CHEBI:58944 -name: dialkyl phosphate anion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84492 +name: 4-hydroxy-3-all-trans-hexaprenylbenzoate +is_a: CHEBI:78396 ! 4-hydroxy-3-polyprenylbenzoate [Term] -id: CHEBI:58945 -name: organophosphate oxoanion -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:26079 ! phosphoric acid derivative +id: CHEBI:84493 +name: (omega-1)-ethyl fatty acid anion +is_a: CHEBI:76619 ! omega-methyl fatty acid anion [Term] -id: CHEBI:58946 -name: acyl-CoA oxoanion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84494 +name: 4-hydroxy-3-all-trans-heptaprenylbenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:58950 -name: very long-chain fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84496 +name: 4-hydroxy-3-all-trans-heptaprenylbenzoate +is_a: CHEBI:78396 ! 4-hydroxy-3-polyprenylbenzoate [Term] -id: CHEBI:58951 -name: short-chain fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84497 +name: (omega-1)-hydroxy fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:58953 -name: saturated fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84501 +name: 4-hydroxy-3-all-trans-nonaprenylbenzoic acid +is_a: CHEBI:25389 ! monohydroxybenzoic acid +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:58954 -name: straight-chain saturated fatty acid anion -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:84502 +name: 4-hydroxy-3-all-trans-nonaprenylbenzoate +is_a: CHEBI:78396 ! 4-hydroxy-3-polyprenylbenzoate [Term] -id: CHEBI:58955 -name: branched-chain fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84503 +name: 4-hydroxy-3-all-trans-decaprenylbenzoate +is_a: CHEBI:78396 ! 4-hydroxy-3-polyprenylbenzoate [Term] -id: CHEBI:58956 -name: branched-chain saturated fatty acid anion -is_a: CHEBI:58953 ! saturated fatty acid anion -is_a: CHEBI:58955 ! branched-chain fatty acid anion +id: CHEBI:84509 +name: 2-all-trans-heptaprenylphenol +is_a: CHEBI:1269 ! 2-polyprenylphenol [Term] -id: CHEBI:58958 -name: organosulfate oxoanion -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:33482 ! sulfur oxoanion +id: CHEBI:84510 +name: 2-all-trans-nonaprenylphenol +is_a: CHEBI:1269 ! 2-polyprenylphenol [Term] -id: CHEBI:59062 -name: polymyxin -is_a: CHEBI:24533 ! heterodetic cyclic peptide -is_a: CHEBI:46895 ! lipopeptide -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:33282 ! antibacterial agent +id: CHEBI:84511 +name: 2-all-trans-decaprenylphenol +is_a: CHEBI:1269 ! 2-polyprenylphenol [Term] -id: CHEBI:59107 -name: EC 3.4.24.* (metalloendopeptidase) inhibitor -is_a: CHEBI:37670 ! protease inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:84513 +name: 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine +is_a: CHEBI:90434 ! phosphatidylserine(18:0/18:2) +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59132 -name: antigen -is_a: CHEBI:24432 ! biological role +id: CHEBI:84515 +name: sn-glycero-3-phosphoglycerol(1-) +is_a: CHEBI:61933 ! glycerophosphoglycerol(1-) [Term] -id: CHEBI:59139 -name: gibberellin carboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:84516 +name: 3-(all-trans-heptaprenyl)benzene-1,2-diol +is_a: CHEBI:62729 ! 3-(all-trans-polyprenyl)benzene-1,2-diol [Term] -id: CHEBI:59163 -name: biomarker -is_a: CHEBI:47867 ! indicator +id: CHEBI:84517 +name: 3-(all-trans-nonaprenyl)benzene-1,2-diol +is_a: CHEBI:62729 ! 3-(all-trans-polyprenyl)benzene-1,2-diol [Term] -id: CHEBI:59174 -name: hapten -is_a: CHEBI:24432 ! biological role +id: CHEBI:84518 +name: 3-(all-trans-decaprenyl)benzene-1,2-diol +is_a: CHEBI:62729 ! 3-(all-trans-polyprenyl)benzene-1,2-diol [Term] -id: CHEBI:59202 -name: straight-chain fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:84521 +name: 2-methoxy-6-(all-trans-heptaprenyl)phenol +is_a: CHEBI:62731 ! 2-methoxy-6-(all-trans-polyprenyl)phenol [Term] -id: CHEBI:59203 -name: straight-chain fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84522 +name: 2-methoxy-6-(all-trans-nonaprenyl)phenol +is_a: CHEBI:62731 ! 2-methoxy-6-(all-trans-polyprenyl)phenol [Term] -id: CHEBI:59237 -name: phenolic phthiocerol -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:27136 ! triol -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:53000 ! epitope +id: CHEBI:84528 +name: 2-methoxy-6-all-trans-heptaprenylhydroquinonel +is_a: CHEBI:84166 ! 2-methoxy-6-all-trans-polyprenylhydroquinone [Term] -id: CHEBI:59238 -name: cyclic fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:84529 +name: 2-methoxy-6-all-trans-nonaprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:84166 ! 2-methoxy-6-all-trans-polyprenylhydroquinone [Term] -id: CHEBI:5924 -name: EC 3.4.21.* (serine endopeptidase) inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:84530 +name: 6-methoxy-3-methyl-2-all-trans-heptaprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:84167 ! 2-methoxy-3-methyl-6-all-trans-polyprenylhydroquinone [Term] -id: CHEBI:59240 -name: phthiocerol -is_a: CHEBI:13643 ! glycol -is_a: CHEBI:18059 ! lipid -relationship: has_role CHEBI:53000 ! epitope +id: CHEBI:84531 +name: 2-methoxy-3-methyl-6-all-trans-nonaprenylhydroquinone +is_a: CHEBI:24646 ! hydroquinones +is_a: CHEBI:84167 ! 2-methoxy-3-methyl-6-all-trans-polyprenylhydroquinone [Term] -id: CHEBI:59252 -name: linear tetrapyrrole anion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:84536 +name: menaquinol-6 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor [Term] -id: CHEBI:59266 -name: amino trisaccharide -is_a: CHEBI:22483 ! amino oligosaccharide -is_a: CHEBI:63571 ! trisaccharide derivative +id: CHEBI:84537 +name: dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:59295 -name: beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc -is_a: CHEBI:62265 ! beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc +id: CHEBI:84539 +name: 2-demethylmenaquinol-6 +is_a: CHEBI:55437 ! 2-demethylmenaquinol [Term] -id: CHEBI:59326 -name: prostaglandin carboxylic acid anion -is_a: CHEBI:28868 ! fatty acid anion -is_a: CHEBI:62943 ! prostanoid anion +id: CHEBI:8454 +name: progoitrin(1-) +is_a: CHEBI:47798 ! xi-progoitrin(1-) [Term] -id: CHEBI:59338 -name: methylammonium -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84540 +name: dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:59345 -name: 5,6,7,8-tetrahydrosarcinapterin -is_a: CHEBI:26914 ! tetrahydromethanopterin +id: CHEBI:84541 +name: menaquinol-9 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor [Term] -id: CHEBI:59412 -name: amino tetrasaccharide -is_a: CHEBI:22483 ! amino oligosaccharide -is_a: CHEBI:63567 ! tetrasaccharide derivative +id: CHEBI:84542 +name: 2-demethylmenaquinol-9 +is_a: CHEBI:55437 ! 2-demethylmenaquinol [Term] -id: CHEBI:59414 -name: muramyl dipeptide -is_a: CHEBI:24396 ! glycopeptide -relationship: has_role CHEBI:50847 ! immunological adjuvant +id: CHEBI:84543 +name: 1-oleoyl-2-linoleyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59433 -name: 2-phospho-L-lactate -is_a: CHEBI:38716 ! carboxylic acid dianion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84544 +name: menaquinol-10 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor [Term] -id: CHEBI:59466 -name: phosphatidylinositol mannoside -is_a: CHEBI:24410 ! glycosylphosphatidylinositol -relationship: has_role CHEBI:59132 ! antigen +id: CHEBI:84546 +name: 2-demethylmenaquinol-10 +is_a: CHEBI:55437 ! 2-demethylmenaquinol [Term] -id: CHEBI:59497 -name: beta-D-galactofuranose -is_a: CHEBI:12936 ! D-galactose +id: CHEBI:84547 +name: menaquinol-11 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor [Term] -id: CHEBI:59517 -name: DNA synthesis inhibitor -is_a: CHEBI:76932 ! pathway inhibitor +id: CHEBI:84548 +name: 2-demethylmenaquinol-11 +is_a: CHEBI:55437 ! 2-demethylmenaquinol [Term] -id: CHEBI:59524 -name: lipoarabinomannan -is_a: CHEBI:24410 ! glycosylphosphatidylinositol -relationship: has_role CHEBI:59132 ! antigen -relationship: has_role CHEBI:72316 ! virulence factor +id: CHEBI:84550 +name: menaquinol-12 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor [Term] -id: CHEBI:59531 -name: F420-0(2-) -is_a: CHEBI:26544 ! rhamnonate -is_a: CHEBI:26554 ! ribitol phosphate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58944 ! dialkyl phosphate anion -is_a: CHEBI:59535 ! pyrimidoquinolines +id: CHEBI:84551 +name: 2-demethylmenaquinol-12 +is_a: CHEBI:55437 ! 2-demethylmenaquinol [Term] -id: CHEBI:59532 -name: F420-0 -is_a: CHEBI:16648 ! dialkyl phosphate -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26554 ! ribitol phosphate -is_a: CHEBI:59535 ! pyrimidoquinolines +id: CHEBI:84552 +name: menaquinol-13 +is_a: CHEBI:18151 ! menaquinol +relationship: has_role CHEBI:15022 ! electron donor [Term] -id: CHEBI:59535 -name: pyrimidoquinolines -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound +id: CHEBI:84553 +name: 2-demethylmenaquinol-13 +is_a: CHEBI:55437 ! 2-demethylmenaquinol [Term] -id: CHEBI:59541 -name: coenzyme gamma-F420-2(4-) -is_a: CHEBI:26554 ! ribitol phosphate -is_a: CHEBI:35753 ! tricarboxylic acid anion -is_a: CHEBI:58944 ! dialkyl phosphate anion -is_a: CHEBI:59535 ! pyrimidoquinolines -relationship: has_role CHEBI:23354 ! coenzyme +id: CHEBI:84554 +name: 3,5-dihydroxyphenylacetyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:59544 -name: phosphoantigen -is_a: CHEBI:59132 ! antigen +id: CHEBI:84559 +name: 2,4-dinitroanisole +is_a: CHEBI:84580 ! dinitroanisoles +relationship: has_role CHEBI:63490 ! explosive [Term] -id: CHEBI:59549 -name: essential fatty acid -is_a: CHEBI:26208 ! polyunsaturated fatty acid +id: CHEBI:84561 +name: 2,4-dinitrophenol(1-) +is_a: CHEBI:50525 ! phenolate anion +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:59554 -name: medium-chain fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:84571 +name: rifamycin SV(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:59558 -name: medium-chain fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84572 +name: 27-O-demethylrifamycin SV(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:59561 -name: diamino acid anion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:84576 +name: (25S)-3beta-hydroxy-5-cholesten-26-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:59564 -name: thermospermine -is_a: CHEBI:39166 ! tetramine -is_a: CHEBI:39474 ! polyazaalkane +id: CHEBI:84579 +name: 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoic acid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:36785 ! carbobicyclic compound +is_a: CHEBI:37125 ! 5-hydroxy monocarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:59573 -name: (1->2)-beta-D-mannan -is_a: CHEBI:28808 ! mannan +id: CHEBI:84580 +name: dinitroanisoles +is_a: CHEBI:48726 ! nitroanisoles [Term] -id: CHEBI:59595 -name: arabinofuranosyl group -is_a: CHEBI:24403 ! glycosyl group +id: CHEBI:84581 +name: 1,2,2'-trilinoleoyl-,1'-monolysocardiolipin +is_a: CHEBI:65106 ! 1-monolysocardiolipin [Term] -id: CHEBI:59640 -name: N-acetylglucosamine -is_a: CHEBI:21638 ! N-acylglucosamine -relationship: has_role CHEBI:78366 ! EC 2.7.1.1 (hexokinase) inhibitor +id: CHEBI:84584 +name: 3-oxolacceroyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59643 -name: thia fatty acid -is_a: CHEBI:33576 ! sulfur-containing carboxylic acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:84587 +name: 2,3-saturated fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde [Term] -id: CHEBI:59644 -name: oxo fatty acid -is_a: CHEBI:25754 ! oxo carboxylic acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:84588 +name: trans-2,3-unsaturated fatty aldehyde +is_a: CHEBI:35746 ! fatty aldehyde +is_a: CHEBI:51688 ! enal [Term] -id: CHEBI:59683 -name: antipruritic drug -is_a: CHEBI:50177 ! dermatologic drug +id: CHEBI:84589 +name: mitomycin A(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:59698 -name: phosphoric acids -is_a: CHEBI:33457 ! phosphorus oxoacid +id: CHEBI:84590 +name: mitomycin B(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:59720 -name: HPETE anion -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:62937 ! icosanoid anion -is_a: CHEBI:64012 ! hydroperoxy fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:84591 +name: 7-demethylmitomycin B(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:59724 -name: ribonucleoside triphosphate oxoanion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84592 +name: 7-demethylmitomycin A(1-) +is_a: CHEBI:25696 ! organic anion [Term] -id: CHEBI:597326 -name: pyridoxal 5'-phosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84599 +name: all-trans-dodecaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59737 -name: nucleotide-sugar oxoanion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84600 +name: all-trans-tridecaprenyl diphosphate +is_a: CHEBI:55337 ! all-trans-polyprenyl diphosphate [Term] -id: CHEBI:59739 -name: electrophilic reagent -is_a: CHEBI:33893 ! reagent -is_a: CHEBI:39143 ! Lewis acid +id: CHEBI:84601 +name: 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:59740 -name: nucleophilic reagent -is_a: CHEBI:33893 ! reagent -is_a: CHEBI:39144 ! Lewis base +id: CHEBI:84602 +name: all-trans-dodecaprenyl diphosphate(3-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:5975 -name: iron chelate -is_a: CHEBI:33892 ! iron coordination entity +id: CHEBI:84603 +name: all-trans-tridecaprenyl diphosphate(3-) +is_a: CHEBI:58914 ! all-trans-polyprenyl diphosphate(3-) [Term] -id: CHEBI:59765 -name: boric acids -is_a: CHEBI:33145 ! boron oxoacid -relationship: has_role CHEBI:138103 ! inorganic acid +id: CHEBI:84616 +name: 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:59768 -name: aliphatic aldehyde -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:84617 +name: 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:59769 -name: acetal -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:84618 +name: 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:59770 -name: cyclic acetal -is_a: CHEBI:24532 ! organic heterocyclic compound -is_a: CHEBI:59769 ! acetal +id: CHEBI:84634 +name: O-tetradecanoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:73061 ! O-tetradecanoylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59772 -name: hemiketal -is_a: CHEBI:5653 ! hemiacetal +id: CHEBI:84644 +name: O-octadecanoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59777 -name: ketal -is_a: CHEBI:59769 ! acetal +id: CHEBI:84645 +name: (R)-icosanoylcarnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59779 -name: cyclic ketal -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:59777 ! ketal +id: CHEBI:84647 +name: O-[(9Z)-tetradecenoyl]-L-carnitine +is_a: CHEBI:85449 ! O-tetradecenoyl-L-carnitine [Term] -id: CHEBI:59780 -name: cyclic hemiketal -is_a: CHEBI:38131 ! lactol -is_a: CHEBI:59772 ! hemiketal +id: CHEBI:84649 +name: O-[(5Z)-tetradecenoyl]-L-carnitine +is_a: CHEBI:85449 ! O-tetradecenoyl-L-carnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59789 -name: S-adenosyl-L-methionine zwitterion -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:26830 ! sulfonium compound +id: CHEBI:84650 +name: (5Z)-tetradecenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:59792 -name: thioacetal -is_a: CHEBI:33261 ! organosulfur compound +id: CHEBI:84651 +name: (R)-oleoylcarnitine +is_a: CHEBI:133446 ! monounsaturated fatty acyl-L-carnitine +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:85424 ! glycine transporter 2 inhibitor [Term] -id: CHEBI:59793 -name: monothioacetal -is_a: CHEBI:59792 ! thioacetal +id: CHEBI:84654 +name: (R)-4,8-dimethylnonanoylcarnitine +is_a: CHEBI:133447 ! methyl-branched fatty acyl-L-carnitine [Term] -id: CHEBI:59806 -name: (S)-nicotinium(1+) -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:84665 +name: triacylglycerol 50:1 +is_a: CHEBI:17855 ! triglyceride [Term] -id: CHEBI:59809 -name: docetaxel trihydrate -is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone -is_a: CHEBI:35505 ! hydrate -relationship: has_part CHEBI:4672 ! docetaxel anhydrous -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:84666 +name: (25S)-3-oxocholest-4-en-26-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:59814 -name: L-alpha-amino acid anion -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:84672 +name: phosphatidylethanol(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:59825 -name: CMP-3-deoxy-alpha-D-manno-octulosonate(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:84675 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) +is_a: CHEBI:36541 ! sialotriaosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59826 -name: progestin -is_a: CHEBI:50745 ! progestogen +id: CHEBI:84688 +name: Fe(III)-complexed hydroxamate siderophore +is_a: CHEBI:28163 ! iron(III) hydroxamate +is_a: CHEBI:84734 ! Fe(III)-complexed siderophore [Term] -id: CHEBI:59835 -name: hydroxy fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion -is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +id: CHEBI:84726 +name: UDP-N-acetyl-alpha-D-muramoyl-L-alanine +is_a: CHEBI:16932 ! UDP-N-acetylmuramoyl-L-alanine [Term] -id: CHEBI:59836 -name: oxo fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84729 +name: hydroxyindoles +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:33822 ! organic hydroxy compound [Term] -id: CHEBI:59845 -name: 3-hydroxy fatty acid -is_a: CHEBI:24654 ! hydroxy fatty acid -is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +id: CHEBI:84732 +name: sulfohexosyl ceramide(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:59848 -name: thia fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:84733 +name: dihexosylceramide sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:59869 -name: L-alpha-amino acid zwitterion -is_a: CHEBI:78608 ! alpha-amino acid zwitterion +id: CHEBI:84734 +name: Fe(III)-complexed siderophore +is_a: CHEBI:5975 ! iron chelate [Term] -id: CHEBI:59871 -name: D-alpha-amino acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84735 +name: algal metabolite +is_a: CHEBI:75763 ! eukaryotic metabolite [Term] -id: CHEBI:59872 -name: heptaketide -is_a: CHEBI:26188 ! polyketide +id: CHEBI:84745 +name: amiloride(1+) +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:59874 -name: N-acyl-L-alpha-amino acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:84755 +name: 2-deoxy-D-glucopyranose +is_a: CHEBI:15866 ! 2-deoxy-D-glucose +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:59876 -name: N-acyl-D-alpha-amino acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:84756 +name: 2-deoxy-D-glucopyranose 6-phosphate +is_a: CHEBI:61667 ! D-hexopyranose 6-phosphate [Term] -id: CHEBI:59884 -name: XDP(3-) -is_a: CHEBI:53012 ! xanthosine 5'-phosphate +id: CHEBI:84760 +name: 2-deoxy-D-glucopyranose 6-phosphate(2-) is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:59885 -name: XTP(3-) -is_a: CHEBI:53012 ! xanthosine 5'-phosphate -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +id: CHEBI:8478 +name: propanoyl phosphate +is_a: CHEBI:16826 ! acyl monophosphate +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:59888 -name: gamma-aminobutyric acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84786 +name: 1-palmitoyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:64424 ! phosphatidylcholine 34:3 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59897 -name: EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor -is_a: CHEBI:22587 ! antiviral agent -is_a: CHEBI:38234 ! DNA polymerase inhibitor +id: CHEBI:84788 +name: trans,trans-2,4-hexadienoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:59903 -name: thermosperminium(4+) -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84789 +name: 1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:64424 ! phosphatidylcholine 34:3 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59904 -name: 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:84790 +name: trans-3-hexenoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) +is_a: CHEBI:85493 ! 4-saturated-trans-3-enoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:59905 -name: dopaminium(1+) -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84791 +name: (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:85493 ! 4-saturated-trans-3-enoyl-CoA(4-) [Term] -id: CHEBI:59906 -name: 2-phosphonato-L-lactate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84793 +name: trans-dec-3-enoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) +is_a: CHEBI:85493 ! 4-saturated-trans-3-enoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:59907 -name: F420-0(3-) -is_a: CHEBI:26554 ! ribitol phosphate -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84813 +name: 4-oxo-L-proline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:59908 -name: ecgoninium methyl ester(1+) -is_a: CHEBI:35274 ! ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84815 +name: 1,2-di-octadecadienoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64520 ! phosphatidylcholine 36:4 +relationship: has_role CHEBI:75771 ! mouse metabolite + +[Term] +id: CHEBI:84818 +name: 1-octadecanoyl-2-octadecenoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:66857 ! phosphatidylcholine 36:1 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59916 -name: methylmalonyl-CoA(5-) -is_a: CHEBI:58946 ! acyl-CoA oxoanion +id: CHEBI:84822 +name: 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:64433 ! phosphatidylcholine 36:2 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59918 -name: acyl monophosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84824 +name: aromatic L-alpha-amino acid zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:59924 -name: 5,6,7,8-tetrahydrosarcinapterin(4-) -is_a: CHEBI:35753 ! tricarboxylic acid anion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84834 +name: O-hexanoyl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:70749 ! O-hexanoylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59955 -name: D-glycero-D-manno-heptose 7-phosphate(2-) -is_a: CHEBI:35157 ! aldoheptose phosphate -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84836 +name: 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64433 ! phosphatidylcholine 36:2 +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:59997 -name: EC 1.14.18.1 (tyrosinase) inhibitor -is_a: CHEBI:76845 ! EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor +id: CHEBI:84838 +name: O-isobutyryl-L-carnitine +is_a: CHEBI:133445 ! saturated fatty acyl-L-carnitine +is_a: CHEBI:133447 ! methyl-branched fatty acyl-L-carnitine +is_a: CHEBI:73017 ! O-isobutyrylcarnitine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:59999 -name: chemical substance -is_a: CHEBI:24431 ! chemical entity +id: CHEBI:84840 +name: (R)-2-methylbutyrylcarnitine +is_a: CHEBI:133447 ! methyl-branched fatty acyl-L-carnitine +is_a: CHEBI:73026 ! 2-methylbutyrylcarnitine [Term] -id: CHEBI:60004 -name: mixture -is_a: CHEBI:59999 ! chemical substance +id: CHEBI:84841 +name: (R)-acetoacetylcarnitine +is_a: CHEBI:133448 ! oxo-fatty acyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine [Term] -id: CHEBI:60015 -name: 2,3-dehydroacyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) +id: CHEBI:84842 +name: (R)-3-hydroxybutyrylcarnitine +is_a: CHEBI:133449 ! hydroxy-fatty acyl-L-carnitine +is_a: CHEBI:85472 ! O-hydroxybutyryl-L-carnitine [Term] -id: CHEBI:60027 -name: polymer -is_a: CHEBI:60004 ! mixture -relationship: has_part CHEBI:33839 ! macromolecule +id: CHEBI:84843 +name: (R)-2,6-dimethylheptanoylcarnitine +is_a: CHEBI:133447 ! methyl-branched fatty acyl-L-carnitine +is_a: CHEBI:84095 ! 2,6-dimethylheptanoyl carnitine [Term] -id: CHEBI:60028 -name: guanosine 3'-diphosphate 5'-triphosphate(6-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +id: CHEBI:84847 +name: 2,6-dimethylheptanoyl-CoA(4-) +is_a: CHEBI:68458 ! multi-methyl-branched fatty acyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:60029 -name: homopolymer -is_a: CHEBI:60027 ! polymer -relationship: has_part CHEBI:37997 ! homopolymer macromolecule +id: CHEBI:84850 +name: L-selenohomocysteine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:60038 -name: flavonoid oxoanion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:84854 +name: 2-hydroxyheptadecanoic acid +is_a: CHEBI:10283 ! 2-hydroxy fatty acid [Term] -id: CHEBI:60039 -name: L-proline zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:84866 +name: (2S)-methylsuccinyl-CoA(5-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion [Term] -id: CHEBI:60052 -name: siroheme(8-) -is_a: CHEBI:30413 ! heme -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:84879 +name: nitroxyl +is_a: CHEBI:33455 ! nitrogen oxoacid [Term] -id: CHEBI:600520 -name: micafungin -is_a: CHEBI:57248 ! echinocandin -is_a: CHEBI:87113 ! antibiotic antifungal drug -relationship: has_role CHEBI:35441 ! antiinfective agent +id: CHEBI:84880 +name: GDP-D-mannose +is_a: CHEBI:21168 ! GDP-mannose [Term] -id: CHEBI:60056 -name: cocaine(1+) -is_a: CHEBI:35274 ! ammonium ion -is_a: CHEBI:37332 ! tropane alkaloid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84881 +name: GDP-D-mannose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:60059 -name: dermatan anion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:84886 +name: GDP-alpha-D-mannuronate +is_a: CHEBI:17466 ! GDP-D-mannuronate [Term] -id: CHEBI:60065 -name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:79210 ! alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) -is_a: CHEBI:88071 ! monosialodiglycosylceramide(1-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84897 +name: nogalonate(2-) +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:60073 -name: N-acylneuraminate -is_a: CHEBI:29067 ! carboxylic acid anion -is_a: CHEBI:62944 ! sialic acid anion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:84898 +name: (R)-crotonylcarnitine +is_a: CHEBI:133450 ! (2E)-enoyl-L-carnitine +is_a: CHEBI:85480 ! O-butenoyl-L-carnitine [Term] -id: CHEBI:60082 -name: vinca alkaloid cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:84900 +name: 12-deoxynogalonate(1-) +is_a: CHEBI:35902 ! oxo monocarboxylic acid anion [Term] -id: CHEBI:60086 -name: lipid A oxoanion -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:84904 +name: (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:84204 ! omega-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:60090 -name: 7-hydroxyflavon-3-olate -is_a: CHEBI:60038 ! flavonoid oxoanion +id: CHEBI:84912 +name: dapdiamide E zwitterion +is_a: CHEBI:60466 ! peptide zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:60096 -name: poly(glycerol phosphate) -is_a: CHEBI:60029 ! homopolymer -relationship: has_part CHEBI:15943 ! poly(glycerol phosphate) macromolecule +id: CHEBI:84913 +name: 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:60102 -name: sulfurated eukaryotic molybdenum cofactor(2-) -is_a: CHEBI:21437 ! Mo-molybdopterin cofactor +id: CHEBI:84921 +name: 7-hydroxylaurate +is_a: CHEBI:59558 ! medium-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:60119 -name: sphingosine 1-phosphate(1-) -is_a: CHEBI:76941 ! sphingoid 1-phosphate(1-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:84925 +name: omega-hydroxyphytanic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:60151 -name: oxidised LDL -is_a: CHEBI:6495 ! lipoprotein +id: CHEBI:84932 +name: ethyl hexadecanoate +is_a: CHEBI:13209 ! long-chain fatty acid ethyl ester +is_a: CHEBI:25835 ! hexadecanoate ester +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:60164 -name: ionic polymer -is_a: CHEBI:60027 ! polymer -relationship: has_part CHEBI:53368 ! ionic macromolecule +id: CHEBI:84933 +name: N-acetyl-D-muramoyl-L-alanine +is_a: CHEBI:35258 ! glyco-amino acid +is_a: CHEBI:83943 ! L-alanine derivative [Term] -id: CHEBI:60169 -name: phosphatidylinositol trisphosphate -is_a: CHEBI:28765 ! phosphatidylinositol phosphate +id: CHEBI:84934 +name: ethyl palmitoleate +is_a: CHEBI:13209 ! long-chain fatty acid ethyl ester [Term] -id: CHEBI:60173 -name: purine deoxyribonucleoside -is_a: CHEBI:23636 ! deoxyribonucleoside -is_a: CHEBI:26394 ! purine nucleoside +id: CHEBI:84936 +name: ethyl octadecanoate +is_a: CHEBI:13209 ! long-chain fatty acid ethyl ester +is_a: CHEBI:75925 ! octadecanoate ester +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:60174 -name: rhamnogalacturonan I -is_a: CHEBI:26543 ! rhamnogalacturonan +id: CHEBI:84939 +name: omega-hydroxy-15-methylpalmitic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid [Term] -id: CHEBI:60175 -name: 5-hydroxylysine -is_a: CHEBI:86498 ! hydroxylysine +id: CHEBI:84940 +name: ethyl oleate +is_a: CHEBI:13209 ! long-chain fatty acid ethyl ester +relationship: has_role CHEBI:22153 ! acaricide +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:60186 -name: EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor -is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor +id: CHEBI:84947 +name: (11Z)-Delta(11)-fatty acyl-CoA(4-) +is_a: CHEBI:58903 ! Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:60187 -name: alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Gal -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:84948 +name: 11,12-saturated fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:60190 -name: homogalacturonan -is_a: CHEBI:24174 ! galacturonan +id: CHEBI:84949 +name: (11E)-Delta(11)-fatty acyl-CoA(4-) +is_a: CHEBI:58903 ! Delta(11)-fatty acyl-CoA(4-) [Term] -id: CHEBI:60191 -name: rhamnogalacturonan II -is_a: CHEBI:24174 ! galacturonan +id: CHEBI:84952 +name: 7-demethylmitomycin B(2-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:60192 -name: triacyl lipopeptide -is_a: CHEBI:46895 ! lipopeptide +id: CHEBI:84955 +name: 7-demethylmitomycin A(2-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:60193 -name: queuosine -is_a: CHEBI:50660 ! 7-deazaguanine ribonucleoside +id: CHEBI:84962 +name: 13-hydroxy-alpha-tocopherol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23229 ! chromanol +is_a: CHEBI:33853 ! phenols +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:60197 -name: bacteriochlorophyll c -is_a: CHEBI:38201 ! bacteriochlorophyll +id: CHEBI:84963 +name: 13-hydroxy-gamma-tocopherol +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:23229 ! chromanol +is_a: CHEBI:33853 ! phenols [Term] -id: CHEBI:60199 -name: acyl monophosphate(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:84966 +name: ipsdienone +is_a: CHEBI:25408 ! monoterpene ketone +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:75767 ! animal metabolite +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:60215 -name: W-molybdopterin cofactor -is_a: CHEBI:25372 ! molybdopterin cofactor -is_a: CHEBI:35233 ! tungsten coordination entity +id: CHEBI:84968 +name: 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-) +is_a: CHEBI:57795 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) [Term] -id: CHEBI:60239 -name: beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc -is_a: CHEBI:22485 ! glucosamine oligosaccharide -is_a: CHEBI:59412 ! amino tetrasaccharide +id: CHEBI:84969 +name: cholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) +is_a: CHEBI:132007 ! cholesteryl icosapentaenoate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:60240 -name: divalent metal cation -is_a: CHEBI:25213 ! metal cation -is_a: CHEBI:64641 ! divalent inorganic cation +id: CHEBI:84970 +name: (4R)-ipsdienol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:64419 ! meroterpenoid +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:75767 ! animal metabolite [Term] -id: CHEBI:60242 -name: monovalent inorganic cation -is_a: CHEBI:36915 ! inorganic cation +id: CHEBI:84971 +name: (2E,6E,10E)-geranylgeranic acid +is_a: CHEBI:23849 ! diterpenoid +is_a: CHEBI:62499 ! methyl-branched fatty acid +is_a: CHEBI:73155 ! trienoic fatty acid +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] -id: CHEBI:60245 -name: inositol phosphoceramide -is_a: CHEBI:35786 ! phosphosphingolipid +id: CHEBI:84973 +name: oleoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:78279 ! lysophosphatidate 18:1 [Term] -id: CHEBI:60247 -name: silver ion -is_a: CHEBI:33966 ! elemental silver -is_a: CHEBI:36914 ! inorganic ion +id: CHEBI:84975 +name: acarbose 7(IV)-phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:60248 -name: nickel ion -is_a: CHEBI:36914 ! inorganic ion +id: CHEBI:84981 +name: 2-aminoadipate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:33558 ! alpha-amino-acid anion [Term] -id: CHEBI:60249 -name: lead ion -is_a: CHEBI:36914 ! inorganic ion -is_a: CHEBI:37193 ! elemental lead +id: CHEBI:84985 +name: (2E,6E,10E)-omega-hydroxyfarnesyl diphosphate +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:26875 ! terpenyl phosphate +is_a: CHEBI:37531 ! polyprenyl diphosphate +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:60250 -name: selenium ion -is_a: CHEBI:36904 ! elemental selenium -is_a: CHEBI:36914 ! inorganic ion +id: CHEBI:84990 +name: gamma-carboxy-L-glutamate(2-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:60251 -name: guanidinium ion -is_a: CHEBI:35286 ! iminium ion +id: CHEBI:84992 +name: 3-methylpalmitoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:60252 -name: lead cation -is_a: CHEBI:25213 ! metal cation -is_a: CHEBI:60249 ! lead ion +id: CHEBI:84994 +name: 3-(methylthio)acryloyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:60253 -name: silver cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:60247 ! silver ion +id: CHEBI:84995 +name: 3-hydroxy-3-(methylthio)propanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:60255 -name: puromycin(1+) -is_a: CHEBI:25697 ! organic cation +id: CHEBI:84996 +name: 3-oxopropanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:60257 -name: N(omega)-methyl-L-arginine zwitterion -is_a: CHEBI:24436 ! guanidines -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:85005 +name: anticapsin +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:85011 ! EC 2.6.1.19 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor [Term] -id: CHEBI:60258 -name: EC 3.4.* (hydrolases acting on peptide bond) inhibitor -is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor +id: CHEBI:85006 +name: N(1),N(8)-bis(sinapoyl)-spermidine(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:60270 -name: caesium ion -is_a: CHEBI:36914 ! inorganic ion -is_a: CHEBI:37128 ! caesium molecular entity +id: CHEBI:85007 +name: N(1),N(8)-bis(coumaroyl)spermidine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:60271 -name: tellurium ion -is_a: CHEBI:36660 ! elemental tellurium -is_a: CHEBI:36914 ! inorganic ion +id: CHEBI:85008 +name: trans-4-coumaroyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:60272 -name: aluminium ion -is_a: CHEBI:33628 ! elemental aluminium -is_a: CHEBI:36914 ! inorganic ion +id: CHEBI:85011 +name: EC 2.6.1.19 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor +is_a: CHEBI:76879 ! EC 2.6.1.* (transaminase) inhibitor [Term] -id: CHEBI:60302 -name: L-thyroxine(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85027 +name: 2'-phospho-nucleotide 5'-phosphate(3-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:60308 -name: 3,3',5-triiodo-L-thyroninate -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:63477 ! iodothyroninate +id: CHEBI:85033 +name: cobalt(1+) +is_a: CHEBI:23336 ! cobalt cation +is_a: CHEBI:25414 ! monoatomic monocation +is_a: CHEBI:60242 ! monovalent inorganic cation [Term] -id: CHEBI:60311 -name: thyroid hormone -is_a: CHEBI:24621 ! hormone +id: CHEBI:85035 +name: methyl-Co(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:33890 ! cobalt coordination entity [Term] -id: CHEBI:60327 -name: ganglioside GM2 -is_a: CHEBI:21509 ! N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine -is_a: CHEBI:36541 ! sialotriaosylceramide -relationship: has_role CHEBI:59132 ! antigen +id: CHEBI:8504 +name: prostanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:26607 ! saturated fatty acid +is_a: CHEBI:35744 ! carbocyclic fatty acid [Term] -id: CHEBI:60334 -name: peptide anion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:85040 +name: (3R)-3,6-diaminohexanoic acid +is_a: CHEBI:33706 ! beta-amino acid +is_a: CHEBI:35987 ! diamino acid [Term] -id: CHEBI:60345 -name: organic phosphoramidate anion -is_a: CHEBI:25696 ! organic anion +id: CHEBI:85046 +name: skin lightening agent +is_a: CHEBI:64857 ! cosmetic [Term] -id: CHEBI:60377 -name: cytidine 5'-monophosphate(2-) -is_a: CHEBI:138238 ! pyrimidine ribonucleoside 5'-monophosphate(2-) -is_a: CHEBI:26443 ! pyrimidine ribonucleoside monophosphate -is_a: CHEBI:26446 ! pyrimidine ribonucleotide -is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85048 +name: EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor +is_a: CHEBI:76737 ! EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor [Term] -id: CHEBI:60466 -name: peptide zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:85049 +name: EC 1.10.3.1 (catechol oxidase) inhibitor +is_a: CHEBI:85048 ! EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor [Term] -id: CHEBI:60471 -name: dUDP(3-) -is_a: CHEBI:73316 ! 2'-deoxyribonucleoside 5'-diphosphate(3-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85050 +name: EC 1.10.3.2 (laccase) inhibitor +is_a: CHEBI:85048 ! EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor [Term] -id: CHEBI:60481 -name: N',N'',N'''-triacetylfusarinine C -is_a: CHEBI:33892 ! iron coordination entity -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:85051 +name: EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor +is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor [Term] -id: CHEBI:60521 -name: indole alkaloid cation -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:85052 +name: EC 1.4.3.3 (D-amino-acid oxidase) inhibitor +is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor [Term] -id: CHEBI:60523 -name: phosphatidylglycerol(1-) -is_a: CHEBI:62643 ! anionic phospholipid -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85057 +name: 2-methylhexadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid [Term] -id: CHEBI:60529 -name: ergoline alkaloid -is_a: CHEBI:22315 ! alkaloid +id: CHEBI:85058 +name: 12-methyloctadecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid [Term] -id: CHEBI:60531 -name: flavin(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:85059 +name: 3-methylundecanoic acid +is_a: CHEBI:39417 ! branched-chain saturated fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid +is_a: CHEBI:62499 ! methyl-branched fatty acid [Term] -id: CHEBI:60562 -name: ferroheme c -is_a: CHEBI:38573 ! ferroheme +id: CHEBI:85072 +name: 15-dehydroprostaglandin A1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:60579 -name: calcium oxalate -is_a: CHEBI:51031 ! organic calcium salt -relationship: has_part CHEBI:30623 ! oxalate(2-) +id: CHEBI:85073 +name: 12-methyloctadecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:60584 -name: bicozamycin -is_a: CHEBI:35990 ! bridged compound -is_a: CHEBI:38295 ! azabicycloalkane -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:35441 ! antiinfective agent -relationship: has_role CHEBI:55323 ! antidiarrhoeal drug +id: CHEBI:85074 +name: 2-methylhexadecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:60585 -name: 3,6-diamino-10-methylacridinium -is_a: CHEBI:52839 ! acridinium ion +id: CHEBI:85075 +name: 3-methylundecanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:60598 -name: opioid agent -is_a: CHEBI:35942 ! neurotransmitter agent +id: CHEBI:85076 +name: 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:60599 -name: mu-opioid agent -is_a: CHEBI:60598 ! opioid agent +id: CHEBI:85077 +name: isomyristoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:60606 -name: opioid receptor agonist -is_a: CHEBI:48705 ! agonist -is_a: CHEBI:60598 ! opioid agent +id: CHEBI:85090 +name: (3E,5Z,8Z,11Z,14Z)-icosapentaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:85110 ! (3E,5Z)-dienoyl-CoA(4-) [Term] -id: CHEBI:60643 -name: NMDA receptor antagonist -is_a: CHEBI:60798 ! excitatory amino acid antagonist +id: CHEBI:85091 +name: (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:85111 ! 6-saturated-trans,trans-2,4-dienoyl-CoA(4-) [Term] -id: CHEBI:60761 -name: floxuridine -is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside -is_a: CHEBI:37143 ! organofluorine compound -is_a: CHEBI:60783 ! nucleoside analogue -relationship: has_role CHEBI:132992 ! radiosensitizing agent -relationship: has_role CHEBI:35221 ! antimetabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:36044 ! antiviral drug +id: CHEBI:85097 +name: 4-saturated trans-2-enoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:60783 -name: nucleoside analogue -is_a: CHEBI:21731 ! N-glycosyl compound +id: CHEBI:85099 +name: (2E,4Z)-dienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:60798 -name: excitatory amino acid antagonist -is_a: CHEBI:48706 ! antagonist +id: CHEBI:85100 +name: 4,5-saturated-trans-2-enoyl-CoA(4-) +is_a: CHEBI:85097 ! 4-saturated trans-2-enoyl-CoA(4-) [Term] -id: CHEBI:60807 -name: anaesthesia adjuvant -is_a: CHEBI:60809 ! adjuvant +id: CHEBI:85101 +name: trans,trans-2,4-dienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:60809 -name: adjuvant -is_a: CHEBI:52217 ! pharmaceutical +id: CHEBI:85108 +name: trans-3-cis-5-octadienoyl-CoA(4-) +is_a: CHEBI:85110 ! (3E,5Z)-dienoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:60815 -name: lysobisphosphatidic acid -is_a: CHEBI:32957 ! lysophosphatidic acids +id: CHEBI:85110 +name: (3E,5Z)-dienoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) [Term] -id: CHEBI:60819 -name: diphenyl phthalate -is_a: CHEBI:35484 ! phthalate ester -is_a: CHEBI:51307 ! diester +id: CHEBI:85111 +name: 6-saturated-trans,trans-2,4-dienoyl-CoA(4-) +is_a: CHEBI:85101 ! trans,trans-2,4-dienoyl-CoA(4-) [Term] -id: CHEBI:60831 -name: epothilone -is_a: CHEBI:25106 ! macrolide -is_a: CHEBI:38418 ! 1,3-thiazoles -is_a: CHEBI:55380 ! beta-hydroxy ketone +id: CHEBI:85130 +name: 7,8-dihydroxanthopterin +is_a: CHEBI:38797 ! dihydropterin relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:60832 -name: tubulin modulator -is_a: CHEBI:52210 ! pharmacological role +id: CHEBI:85133 +name: 12-(phosphonooxy)octadecanoic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate [Term] -id: CHEBI:60833 -name: naptalam -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:35735 ! dicarboxylic acid monoamide -is_a: CHEBI:88360 ! N-(1-naphthyl)carboxamide -relationship: has_role CHEBI:24527 ! herbicide +id: CHEBI:85134 +name: 12-(phosphonooxy)octadecanoate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:60835 -name: leucoanthocyanidin -is_a: CHEBI:72010 ! hydroxyflavan +id: CHEBI:85136 +name: (9E)-12-(phosphonooxy)octadecenoic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate [Term] -id: CHEBI:60836 -name: phytochelatin -is_a: CHEBI:16670 ! peptide -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:38161 ! chelator +id: CHEBI:85137 +name: (9E)-12-(phosphonooxy)octadecenoate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:60869 -name: (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine -is_a: CHEBI:37773 ! organic phosphoramidate -is_a: CHEBI:48116 ! nucleotide-amino acid +id: CHEBI:85139 +name: beta-amino acid ester +is_a: CHEBI:46668 ! amino acid ester +is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative [Term] -id: CHEBI:60895 -name: D-alpha-amino acid anion -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:85140 +name: (9Z)-12-(phosphonooxy)octadecenoic acid +is_a: CHEBI:36952 ! carboxyalkyl phosphate [Term] -id: CHEBI:60903 -name: N-(4-aminobenzoyl)-L-glutamate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:85141 +name: (9Z)-12-(phosphonooxy)octadecenoate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:60911 -name: racemate -is_a: CHEBI:60004 ! mixture +id: CHEBI:85142 +name: methyl nogalonate +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:37484 ! dihydroxyanthraquinone [Term] -id: CHEBI:60913 -name: ganglioside GT1b -is_a: CHEBI:28058 ! alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-beta-D-Gal-(1->4)-beta-beta-D-Glc-(1<->1')-Cer +id: CHEBI:85148 +name: 3-hydroxytetradecanoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:60924 -name: keratan sulfate -is_a: CHEBI:35722 ! sulfated glycosaminoglycan -is_a: CHEBI:37395 ! mucopolysaccharide +id: CHEBI:85150 +name: (9Z)-12-hydroxyoctadec-9-enoate +is_a: CHEBI:131870 ! hydroxy monounsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion + +[Term] +id: CHEBI:85152 +name: (9E)-12-hydroxyoctadec-9-enoate +is_a: CHEBI:131870 ! hydroxy monounsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:60926 -name: amino monosaccharide -is_a: CHEBI:28963 ! amino sugar +id: CHEBI:85165 +name: prostaglandin G2 2-glyceryl ester +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26343 ! prostaglandins G +is_a: CHEBI:35924 ! peroxol +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:60935 -name: sinapate ester -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:33853 ! phenols +id: CHEBI:85166 +name: prostaglandin H2 2-glyceryl ester +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26344 ! prostaglandins H +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:60938 -name: glucuronoxylan -is_a: CHEBI:37166 ! xylan +id: CHEBI:85171 +name: sphingoid-1-phosphocholine(1+) +is_a: CHEBI:35267 ! quaternary ammonium ion [Term] -id: CHEBI:60940 -name: D-mannosyl-D-glyceric acid -is_a: CHEBI:25169 ! mannoside -is_a: CHEBI:33720 ! carbohydrate acid +id: CHEBI:85173 +name: 11-epi-prostaglandin F2alpha(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:60941 -name: prenylcysteine -is_a: CHEBI:23509 ! cysteine derivative +id: CHEBI:85174 +name: prostaglandin D2 ethanolamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:52640 ! N-acylethanolamine [Term] -id: CHEBI:60943 -name: 5-HETE -is_a: CHEBI:36275 ! HETE -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:85175 +name: 11beta-prostaglandin F2alpha ethanolamide +is_a: CHEBI:29347 ! monocarboxylic acid amide +is_a: CHEBI:52640 ! N-acylethanolamine [Term] -id: CHEBI:60951 -name: flavonoid phytoalexin -is_a: CHEBI:47916 ! flavonoid -relationship: has_role CHEBI:26115 ! phytoalexin +id: CHEBI:85184 +name: dihydroxycholanic acid +is_a: CHEBI:33822 ! organic hydroxy compound +is_a: CHEBI:36278 ! cholanic acids [Term] -id: CHEBI:60952 -name: diterpene phytoalexin -is_a: CHEBI:23849 ! diterpenoid -relationship: has_role CHEBI:26115 ! phytoalexin +id: CHEBI:85187 +name: L-iduronic acid +is_a: CHEBI:24769 ! iduronic acid [Term] -id: CHEBI:60963 -name: colanic acid -is_a: CHEBI:65212 ! polysaccharide derivative -relationship: has_role CHEBI:59132 ! antigen +id: CHEBI:85189 +name: O-[(9Z)-hexadecenoyl]-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:60971 -name: aminophospholipid -is_a: CHEBI:16247 ! phospholipid -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:85195 +name: 9,10-epoxyoctadecanoate +is_a: CHEBI:133585 ! epoxyoctadecanoate [Term] -id: CHEBI:60973 -name: suberin -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:26178 ! polyester macromolecule +id: CHEBI:85197 +name: 9,10-dihydroxystearate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion [Term] -id: CHEBI:60974 -name: cyanoamino acid -is_a: CHEBI:80291 ! aliphatic nitrile -is_a: CHEBI:83820 ! non-proteinogenic amino acid +id: CHEBI:85198 +name: N-arachidonoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine [Term] -id: CHEBI:60977 -name: phenylalkylamine -is_a: CHEBI:22644 ! arylalkylamine +id: CHEBI:85199 +name: N-icosenoylsphingosine +is_a: CHEBI:52639 ! N-acylsphingosine [Term] -id: CHEBI:60978 -name: ketogluconate -is_a: CHEBI:33804 ! gluconates +id: CHEBI:85200 +name: N-icosenoylsphinganine +is_a: CHEBI:137570 ! Cer(d38:1) +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:60979 -name: alpha-glucoside -is_a: CHEBI:24278 ! glucoside +id: CHEBI:85201 +name: N-icosenoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine [Term] -id: CHEBI:60980 -name: beta-glucoside -is_a: CHEBI:24278 ! glucoside +id: CHEBI:85204 +name: N-oleoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine [Term] -id: CHEBI:60981 -name: UDP-rhamnose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:85205 +name: 3-hydroxytetradecanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:60982 -name: methyl galactoside -is_a: CHEBI:24163 ! galactoside -is_a: CHEBI:25302 ! methyl glycoside -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:85206 +name: N-arachidonoylsphinganine +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:609827 -name: L-canavanine -is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid -relationship: has_role CHEBI:22917 ! phytogenic insecticide -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:85207 +name: N-arachidonoylphytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine [Term] -id: CHEBI:60983 -name: alkylphosphonate -is_a: CHEBI:37592 ! organic phosphonate -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:85208 +name: 12-hydroxyoctadecanoic acid +is_a: CHEBI:24747 ! hydroxyoctadecanoic acid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:61006 -name: mannosyl diphosphorylinositol ceramide -is_a: CHEBI:59466 ! phosphatidylinositol mannoside -is_a: CHEBI:60245 ! inositol phosphoceramide +id: CHEBI:85209 +name: 12-hydroxyoctadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:61015 -name: nephrotoxin -is_a: CHEBI:64909 ! poison +id: CHEBI:85210 +name: N-acetyl-D-methionine +is_a: CHEBI:132958 ! N-acetylmethionine +is_a: CHEBI:21501 ! N-acetyl-D-amino acid +is_a: CHEBI:84122 ! D-methionine derivative [Term] -id: CHEBI:61016 -name: angiotensin receptor antagonist -is_a: CHEBI:49020 ! hormone antagonist +id: CHEBI:85211 +name: 15-hydroxypentadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85212 ! omega-hydroxy fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA [Term] -id: CHEBI:61036 -name: 7-carboxylato-7-deazaguanine -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85212 +name: omega-hydroxy fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA [Term] -id: CHEBI:6104 -name: kanamycin -is_a: CHEBI:24951 ! kanamycins -relationship: has_part CHEBI:17630 ! kanamycin A -relationship: has_part CHEBI:28098 ! kanamycin B -relationship: has_part CHEBI:28185 ! kanamycin C -relationship: has_part CHEBI:72797 ! kanamycin X -relationship: has_part CHEBI:73079 ! kanamycin D +id: CHEBI:85213 +name: 16-hydroxyhexadecanoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:85212 ! omega-hydroxy fatty acyl-CoA +is_a: CHEBI:85348 ! 11,12-saturated fatty acyl-CoA +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:61048 -name: ganglioside GM1 -is_a: CHEBI:18216 ! alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine -is_a: CHEBI:36543 ! sialotetraosylceramide +id: CHEBI:85214 +name: 9-decenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:61049 -name: tacrolimus (anhydrous) -is_a: CHEBI:25106 ! macrolide -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:85215 +name: 1-myristoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:29017 ! 1-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:61050 -name: alkyl hydroperoxide -is_a: CHEBI:35924 ! peroxol +id: CHEBI:85216 +name: N-acyllysophosphatidylethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:61051 -name: lipid hydroperoxide -is_a: CHEBI:35924 ! peroxol +id: CHEBI:85217 +name: N-palmitoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85216 ! N-acyllysophosphatidylethanolamine(1-) [Term] -id: CHEBI:61057 -name: tacrolimus hydrate -is_a: CHEBI:35505 ! hydrate -relationship: has_part CHEBI:61049 ! tacrolimus (anhydrous) -relationship: has_role CHEBI:35705 ! immunosuppressive agent +id: CHEBI:85219 +name: N-stearoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85216 ! N-acyllysophosphatidylethanolamine(1-) [Term] -id: CHEBI:61073 -name: oxygen radical -is_a: CHEBI:26523 ! reactive oxygen species -is_a: CHEBI:36871 ! inorganic radical +id: CHEBI:85220 +name: N-acetyl-D-methionine(1-) +is_a: CHEBI:132957 ! N-acetylmethioninate [Term] -id: CHEBI:61078 -name: purine nucleoside bisphosphate -is_a: CHEBI:26401 ! purines -is_a: CHEBI:37123 ! nucleoside bisphosphate +id: CHEBI:85221 +name: N-icosanoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85216 ! N-acyllysophosphatidylethanolamine(1-) [Term] -id: CHEBI:61079 -name: ribonucleoside bisphosphate -is_a: CHEBI:37123 ! nucleoside bisphosphate +id: CHEBI:85222 +name: N,1-dioleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85216 ! N-acyllysophosphatidylethanolamine(1-) [Term] -id: CHEBI:61081 -name: bis(5'-nucleosidyl) oliogophosphate -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:85223 +name: N-arachidonoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85216 ! N-acyllysophosphatidylethanolamine(1-) [Term] -id: CHEBI:61082 -name: lipid-linked peptidoglycan -is_a: CHEBI:8005 ! peptidoglycan +id: CHEBI:85225 +name: N-acyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62643 ! anionic phospholipid [Term] -id: CHEBI:61085 -name: 3-sulfino-L-alanine(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85226 +name: N-hexadecanoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85225 ! N-acyl-sn-glycero-3-phosphoethanolamine(1-) [Term] -id: CHEBI:61109 -name: pyrimidine nucleotide-sugar -is_a: CHEBI:25609 ! nucleotide-sugar +id: CHEBI:85227 +name: N-octadecanoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85225 ! N-acyl-sn-glycero-3-phosphoethanolamine(1-) [Term] -id: CHEBI:61111 -name: aminophosphonate -is_a: CHEBI:35352 ! organonitrogen compound -is_a: CHEBI:37592 ! organic phosphonate +id: CHEBI:85228 +name: N-icosanoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85225 ! N-acyl-sn-glycero-3-phosphoethanolamine(1-) [Term] -id: CHEBI:61114 -name: N-(4-aminobenzoyl)-L-glutamic acid -is_a: CHEBI:35692 ! dicarboxylic acid -is_a: CHEBI:46761 ! dipeptide -is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid -is_a: CHEBI:48975 ! substituted aniline +id: CHEBI:85229 +name: N-oleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85225 ! N-acyl-sn-glycero-3-phosphoethanolamine(1-) [Term] -id: CHEBI:61115 -name: EC 3.5.1.98 (histone deacetylase) inhibitor -is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor +id: CHEBI:85230 +name: N-arachidonoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85225 ! N-acyl-sn-glycero-3-phosphoethanolamine(1-) [Term] -id: CHEBI:61119 -name: dTDP-rhamnose -is_a: CHEBI:23557 ! dTDP-sugar +id: CHEBI:85231 +name: 1-(9Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphate(2-) +is_a: CHEBI:73332 ! 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) [Term] -id: CHEBI:61120 -name: nucleobase-containing molecular entity -is_a: CHEBI:33833 ! heteroarene -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:85232 +name: prostaglandin D2 1-glyceryl ester +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26337 ! prostaglandins D +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:36132 ! alicyclic ketone +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:61121 -name: oxylipin -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:85234 +name: human blood serum metabolite +is_a: CHEBI:77746 ! human metabolite [Term] -id: CHEBI:61125 -name: 7-carboxy-7-deazaguanine -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:38670 ! pyrrolopyrimidine +id: CHEBI:85236 +name: 15-deoxy-Delta(12,14)-prostaglandin J2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] -id: CHEBI:61151 -name: poly-ADP-D-ribose -is_a: CHEBI:33694 ! biomacromolecule -is_a: CHEBI:65212 ! polysaccharide derivative -relationship: has_part CHEBI:16960 ! ADP-D-ribose +id: CHEBI:85237 +name: 1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:61162 -name: poly(3-hydroxycarboxylic acid) macromolecule -is_a: CHEBI:26178 ! polyester macromolecule -is_a: CHEBI:37997 ! homopolymer macromolecule +id: CHEBI:85238 +name: 15-deoxy-Delta(12,14)-prostaglandin J2-2-glyceryl ester +is_a: CHEBI:17389 ! 2-monoglyceride +is_a: CHEBI:26346 ! prostaglandins J [Term] -id: CHEBI:61185 -name: L-pipecolic acid zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:85241 +name: 1-monooctanoylglycerol +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:61197 -name: phlobaphene -is_a: CHEBI:60004 ! mixture -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:26130 ! biological pigment +id: CHEBI:85250 +name: N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85225 ! N-acyl-sn-glycero-3-phosphoethanolamine(1-) [Term] -id: CHEBI:6121 -name: ketamine -is_a: CHEBI:23482 ! cyclohexanones -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:83403 ! monochlorobenzenes -relationship: has_role CHEBI:35480 ! analgesic -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:38877 ! intravenous anaesthetic -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:60643 ! NMDA receptor antagonist -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:85252 +name: N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine +is_a: CHEBI:134165 ! N-acylethanolamine 22:6 +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:67197 ! endocannabinoid +is_a: CHEBI:85281 ! N-(polyunsaturated fatty acyl)ethanolamine [Term] -id: CHEBI:61232 -name: N-acylphosphatidylethanolamine -is_a: CHEBI:16038 ! phosphatidylethanolamine -is_a: CHEBI:29347 ! monocarboxylic acid amide +id: CHEBI:85253 +name: N-(icosanoyl)ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61233 -name: spermidine hydroxycinnamic acid conjugate -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:85261 +name: N-dodecanoylsphinganine +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:61264 -name: pectic arabinan -is_a: CHEBI:59595 ! arabinofuranosyl group +id: CHEBI:85262 +name: N-(tetradecanoyl)ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61265 -name: (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate residue -is_a: CHEBI:55367 ! deoxyribonucleotide residue +id: CHEBI:85263 +name: N-(dodecanoyl)ethanolamine +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61266 -name: hemicellulose -is_a: CHEBI:18154 ! polysaccharide +id: CHEBI:85268 +name: (5Z)-icosenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:61269 -name: scopolamine(1+) -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:85270 +name: 1,2-dihexadecanoyl-sn-glycero-3-phosphoglycerol(1-) +is_a: CHEBI:60523 ! phosphatidylglycerol(1-) [Term] -id: CHEBI:61286 -name: dolichol-linked oligosaccharide -is_a: CHEBI:63563 ! oligosaccharide derivative +id: CHEBI:85271 +name: (Kdo)2-lipid A 1-diphosphate(7-) (E. coli) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:62643 ! anionic phospholipid +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:61292 -name: guanyl nucleotide -is_a: CHEBI:26395 ! purine nucleotide +id: CHEBI:85275 +name: (3E)-phycocyanobilin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion [Term] -id: CHEBI:61293 -name: adenyl nucleotide -is_a: CHEBI:26395 ! purine nucleotide +id: CHEBI:85276 +name: (3E)-phycoerythrobilin(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:59252 ! linear tetrapyrrole anion [Term] -id: CHEBI:61295 -name: guanyl ribonucleotide -is_a: CHEBI:26400 ! purine ribonucleotide -is_a: CHEBI:61292 ! guanyl nucleotide +id: CHEBI:85277 +name: N-arachidonoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:140532 ! N-arachidonoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61296 -name: adenyl ribonucleotide -is_a: CHEBI:26400 ! purine ribonucleotide -is_a: CHEBI:61293 ! adenyl nucleotide +id: CHEBI:85278 +name: 17beta-hydroxyandrostan-3-one +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:47788 ! 3-oxo steroid [Term] -id: CHEBI:61297 -name: adenyl deoxyribonucleotide -is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide -is_a: CHEBI:61293 ! adenyl nucleotide +id: CHEBI:85279 +name: S-3-[(2R)-phycoerythrobilin]-L-cysteine(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:61298 -name: D-glucose- and/or D-galactose-substituted mannan -is_a: CHEBI:16966 ! heteroglycan +id: CHEBI:85280 +name: S-3-[(2R)-phycocyanobilin]-L-cysteine(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:61304 -name: phosphoglycerate -is_a: CHEBI:24347 ! glycerates -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85281 +name: N-(polyunsaturated fatty acyl)ethanolamine +is_a: CHEBI:29348 ! fatty amide +is_a: CHEBI:52640 ! N-acylethanolamine [Term] -id: CHEBI:61310 -name: chromium ion -is_a: CHEBI:23237 ! chromium molecular entity -is_a: CHEBI:36914 ! inorganic ion +id: CHEBI:85282 +name: N-(monounsaturated fatty acyl)ethanolamine +is_a: CHEBI:52640 ! N-acylethanolamine [Term] -id: CHEBI:61313 -name: C21-steroid -is_a: CHEBI:35341 ! steroid +id: CHEBI:85283 +name: N-(saturated fatty acyl)ethanolamine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:52640 ! N-acylethanolamine [Term] -id: CHEBI:61314 -name: XTP(4-) -is_a: CHEBI:61557 ! nucleoside triphosphate(4-) +id: CHEBI:85284 +name: N-(11Z)-icosenoylsphingosine +is_a: CHEBI:85199 ! N-icosenoylsphingosine [Term] -id: CHEBI:61318 -name: cyanidin 3-O-beta-D-glucoside betaine -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:51978 ! oxonium betaine +id: CHEBI:85285 +name: N-(11Z)-icosenoylsphinganine +is_a: CHEBI:137570 ! Cer(d38:1) +is_a: CHEBI:85200 ! N-icosenoylsphinganine [Term] -id: CHEBI:61336 -name: C4-dicarboxylate -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:85286 +name: N-(11Z)-icosenoylphytosphingosine +is_a: CHEBI:85201 ! N-icosenoylphytosphingosine [Term] -id: CHEBI:61338 -name: bacillithiol -is_a: CHEBI:24400 ! glycoside -is_a: CHEBI:29256 ! thiol -is_a: CHEBI:63367 ! monosaccharide derivative -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:23357 ! cofactor -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:85288 +name: S-3-[(2R)-phycoviolobilin]-L-cysteine(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:61345 -name: chrysobactin -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:46761 ! dipeptide -is_a: CHEBI:50994 ! primary amino compound -relationship: has_role CHEBI:26672 ! siderophore -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:85291 +name: N,1,2-trioleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61346 -name: achromobactin -is_a: CHEBI:35754 ! tetracarboxylic acid anion -relationship: has_role CHEBI:26672 ! siderophore +id: CHEBI:85292 +name: N-stearoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61355 -name: 3-hydroxy carboxylic acid -is_a: CHEBI:24669 ! hydroxy carboxylic acid +id: CHEBI:85293 +name: N-myristoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61360 -name: globoside -is_a: CHEBI:24402 ! glycosphingolipid +id: CHEBI:85294 +name: N-lauroyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61375 -name: ferric-vibriobactin -is_a: CHEBI:84734 ! Fe(III)-complexed siderophore +id: CHEBI:85295 +name: N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61377 -name: TDP -is_a: CHEBI:37039 ! pyrimidine ribonucleoside 5'-diphosphate +id: CHEBI:85296 +name: N-capryloyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61378 -name: 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85297 +name: N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61382 -name: dITP(4-) -is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85298 +name: N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61384 -name: sulfolipid -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:25704 ! organic sulfate +id: CHEBI:85299 +name: N-(octadecanoyl)ethanolamine +is_a: CHEBI:134157 ! N-acylethanolamine 18:0 +is_a: CHEBI:15897 ! N-(long-chain-acyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61393 -name: fructosyllysine(1+) -is_a: CHEBI:33703 ! amino-acid cation +id: CHEBI:85300 +name: N(1),N(8)-bis(sinapoyl)-spermidine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:51751 ! enamide +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:61402 -name: ITP(4-) -is_a: CHEBI:61557 ! nucleoside triphosphate(4-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:85301 +name: N-(decanoyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61404 -name: dATP(4-) -is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85302 +name: N-(octanoyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61409 -name: dihydroxyphenylacetic acid -is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid +id: CHEBI:85303 +name: N-(hexanoyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61414 -name: ferrichromes -is_a: CHEBI:24613 ! homodetic cyclic peptide -is_a: CHEBI:84688 ! Fe(III)-complexed hydroxamate siderophore +id: CHEBI:85304 +name: N-(butanoyl)ethanolamine +is_a: CHEBI:85283 ! N-(saturated fatty acyl)ethanolamine [Term] -id: CHEBI:61417 -name: TDP(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85305 +name: S-3-[(2R)-phycourobilin]-L-cysteine(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:61429 -name: dGTP(4-) -is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) +id: CHEBI:85306 +name: D-alloisoleucine zwitterion +is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion [Term] -id: CHEBI:61442 -name: tetrahydrofolyl-poly(glutamate) polymer -is_a: CHEBI:60164 ! ionic polymer -relationship: has_part CHEBI:58580 ! tetrahydrofolyl-poly(glutamate) macromolecule +id: CHEBI:85307 +name: heparosan D-glucuronic acid zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:61444 -name: gamma-poly(glutamate) polymer -is_a: CHEBI:60164 ! ionic polymer -is_a: CHEBI:61445 ! poly(amide) polymer -relationship: has_part CHEBI:53376 ! gamma-poly(glutamate) macromolecule +id: CHEBI:85308 +name: heparosan L-iduronic acid zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:61445 -name: poly(amide) polymer -is_a: CHEBI:60027 ! polymer -relationship: has_part CHEBI:53224 ! poly(amide) macromolecule +id: CHEBI:85311 +name: poly[(1->4)-beta-D-mannuronate] +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:62196 ! polysaccharide acid oxoanion [Term] -id: CHEBI:61469 -name: polyanionic polymer -is_a: CHEBI:60164 ! ionic polymer -relationship: has_part CHEBI:53309 ! polyanionic macromolecule +id: CHEBI:85312 +name: beta-D-galacturonate +is_a: CHEBI:75525 ! D-galactopyranuronate [Term] -id: CHEBI:61481 -name: dCTP(4-) -is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) +id: CHEBI:85313 +name: beta-D-glucuronate +is_a: CHEBI:58720 ! D-glucopyranuronate [Term] -id: CHEBI:61498 -name: epoxy fatty acid -is_a: CHEBI:23931 ! epoxy monocarboxylic acid -is_a: CHEBI:48847 ! heterocyclic fatty acid +id: CHEBI:85316 +name: (R)-ethylmalonyl-CoA(5-) +is_a: CHEBI:133241 ! omega-carboxyacyl-CoA(5-) +is_a: CHEBI:29067 ! carboxylic acid anion [Term] -id: CHEBI:61506 -name: ADP-L-glycero-beta-D-manno-heptose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:85317 +name: D-galactaro-1,4-lactone(1-) +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:61509 -name: N-acetyl-L-2-aminoadipate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85329 +name: UDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) +is_a: CHEBI:57810 ! UDP-4-dehydro-6-deoxy-D-glucose(2-) [Term] -id: CHEBI:61530 -name: ADP-L-glycero-beta-D-manno-heptose -is_a: CHEBI:15915 ! ADP-L-glycero-D-manno-heptose +id: CHEBI:85330 +name: dapdiamide A +is_a: CHEBI:140324 ! primary carboxamide +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:51751 ! enamide +is_a: CHEBI:85331 ! dapdiamide [Term] -id: CHEBI:61555 -name: dUTP(4-) -is_a: CHEBI:61560 ! 2'-deoxyribonucleoside 5'-triphosphate(4-) +id: CHEBI:85331 +name: dapdiamide +is_a: CHEBI:46761 ! dipeptide +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:61557 -name: nucleoside triphosphate(4-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +id: CHEBI:85332 +name: dapdiamide B +is_a: CHEBI:140324 ! primary carboxamide +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:51751 ! enamide +is_a: CHEBI:85331 ! dapdiamide [Term] -id: CHEBI:61560 -name: 2'-deoxyribonucleoside 5'-triphosphate(4-) -is_a: CHEBI:61662 ! 2'-deoxyribonucleoside triphosphate oxoanion +id: CHEBI:85333 +name: dapdiamide C +is_a: CHEBI:140324 ! primary carboxamide +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:51751 ! enamide +is_a: CHEBI:85331 ! dapdiamide [Term] -id: CHEBI:61655 -name: steroid saponin -is_a: CHEBI:26605 ! saponin -is_a: CHEBI:35341 ! steroid +id: CHEBI:85334 +name: N,1-dipalmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:62537 ! N-acylphosphatidylethanolamine(1-) [Term] -id: CHEBI:61660 -name: organic sulfamate oxoanion -is_a: CHEBI:25696 ! organic anion -is_a: CHEBI:33482 ! sulfur oxoanion +id: CHEBI:85335 +name: N,1-dipalmitoyl-sn-glycero-3-phosphoethanolamine(1-) +is_a: CHEBI:85216 ! N-acyllysophosphatidylethanolamine(1-) [Term] -id: CHEBI:61662 -name: 2'-deoxyribonucleoside triphosphate oxoanion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85336 +name: D-glucaro-1,4-lactone(1-) +is_a: CHEBI:33721 ! carbohydrate acid anion [Term] -id: CHEBI:61689 -name: amino cyclitol -is_a: CHEBI:23451 ! cyclitol +id: CHEBI:85337 +name: dapdiamide E +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:85331 ! dapdiamide [Term] -id: CHEBI:61697 -name: fatty acid derivative -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:85338 +name: L-alloisoleucine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:61703 -name: nonclassic icosanoid -is_a: CHEBI:23899 ! icosanoid +id: CHEBI:85339 +name: O-[S-(L-alloisoleucyl)pantetheine-4'-phosphoryl]serine zwitterionic residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:61704 -name: oxoicosatetraenoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:53339 ! olefinic fatty acid -is_a: CHEBI:59644 ! oxo fatty acid +id: CHEBI:85342 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,5-bisphosphate)(5-) +is_a: CHEBI:57923 ! 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) [Term] -id: CHEBI:61717 -name: ferroheme c(2-) -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +id: CHEBI:85344 +name: (4R)-3,4-dihydro-4-hydroxyphenylpyruvic acid +is_a: CHEBI:64939 ! 3,4-dihydro-4-hydroxyphenylpyruvic acid [Term] -id: CHEBI:61777 -name: terpene glycoside -is_a: CHEBI:24400 ! glycoside -is_a: CHEBI:26873 ! terpenoid +id: CHEBI:85346 +name: N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:35735 ! dicarboxylic acid monoamide +is_a: CHEBI:51751 ! enamide +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:6178 -name: L-arabinofuranose -is_a: CHEBI:30849 ! L-arabinose +id: CHEBI:85347 +name: N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid +is_a: CHEBI:140324 ! primary carboxamide +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:51751 ! enamide +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:61905 -name: short-chain fatty acyl-CoA +id: CHEBI:85348 +name: 11,12-saturated fatty acyl-CoA is_a: CHEBI:37554 ! fatty acyl-CoA [Term] -id: CHEBI:61907 -name: medium-chain fatty acyl-CoA -is_a: CHEBI:37554 ! fatty acyl-CoA +id: CHEBI:85349 +name: CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:61908 -name: EC 1.14.13.39 (nitric oxide synthase) inhibitor -is_a: CHEBI:76841 ! EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor +id: CHEBI:85350 +name: CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:61910 -name: very long-chain fatty acyl-CoA -is_a: CHEBI:37554 ! fatty acyl-CoA +id: CHEBI:85351 +name: CDP-1,2-diarachidonoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) [Term] -id: CHEBI:61912 -name: branched-chain fatty acyl-CoA -is_a: CHEBI:37554 ! fatty acyl-CoA +id: CHEBI:85352 +name: CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:61933 -name: glycerophosphoglycerol(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85353 +name: CDP-1-stearoyl-2-oleoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:61940 -name: aroyl-CoA -is_a: CHEBI:17984 ! acyl-CoA +id: CHEBI:85354 +name: CDP-1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) [Term] -id: CHEBI:61950 -name: microtubule-stabilising agent -is_a: CHEBI:60832 ! tubulin modulator +id: CHEBI:85355 +name: CDP-1,2-dilinoleoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) [Term] -id: CHEBI:61951 -name: microtubule-destabilising agent -is_a: CHEBI:60832 ! tubulin modulator -is_a: CHEBI:64911 ! antimitotic +id: CHEBI:85356 +name: CDP-1,2-dioleoyl-sn-glycerol(2-) +is_a: CHEBI:58332 ! CDP-diacylglycerol(2-) [Term] -id: CHEBI:61966 -name: metabotropic glutamate receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:85357 +name: 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid +is_a: CHEBI:64942 ! 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:6198 -name: (S)-azetidine-2-carboxylic acid -is_a: CHEBI:38108 ! azetidine-2-carboxylic acid +id: CHEBI:85360 +name: L-dihydroanticapsin +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:46733 ! oxabicycloalkane +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +is_a: CHEBI:83943 ! L-alanine derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:61986 -name: maltotetraose tetrasaccharide -is_a: CHEBI:17593 ! maltooligosaccharide -is_a: CHEBI:50126 ! tetrasaccharide +id: CHEBI:85366 +name: 3-hydroxy-2,4-dioxopentyl phosphate +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:7794 ! phosphate monoester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:61991 -name: maltotriose trisaccharide -is_a: CHEBI:17593 ! maltooligosaccharide -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:85367 +name: 2-epi-5-epi-valiolone 7-phosphate +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:7794 ! phosphate monoester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:61993 -name: maltotriose -is_a: CHEBI:61991 ! maltotriose trisaccharide +id: CHEBI:85368 +name: dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:61996 -name: maltopentaose pentasaccharide -is_a: CHEBI:17593 ! maltooligosaccharide -is_a: CHEBI:35369 ! pentasaccharide +id: CHEBI:85369 +name: dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62006 -name: maltopentaose -is_a: CHEBI:61996 ! maltopentaose pentasaccharide +id: CHEBI:85375 +name: N-acetylsphingosine 1-phosphate(2-) +is_a: CHEBI:57674 ! N-acylsphingosine 1-phosphate(2-) [Term] -id: CHEBI:62007 -name: maltohexaose hexasaccharide -is_a: CHEBI:17593 ! maltooligosaccharide -is_a: CHEBI:35368 ! hexasaccharide +id: CHEBI:85376 +name: N-octanoylsphingosine 1-phosphate(2-) +is_a: CHEBI:57674 ! N-acylsphingosine 1-phosphate(2-) [Term] -id: CHEBI:62009 -name: maltoheptaose heptasaccharide -is_a: CHEBI:17593 ! maltooligosaccharide -is_a: CHEBI:53463 ! heptasaccharide +id: CHEBI:85378 +name: N-oleoylsphingosine 1-phosphate(2-) +is_a: CHEBI:57674 ! N-acylsphingosine 1-phosphate(2-) [Term] -id: CHEBI:62010 -name: maltoheptaose -is_a: CHEBI:62009 ! maltoheptaose heptasaccharide +id: CHEBI:85382 +name: 1-heptadecanoyl-2-lauroyl-sn-glycero-3-phosphate +is_a: CHEBI:64877 ! 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate +is_a: CHEBI:87659 ! dodecanoate ester [Term] -id: CHEBI:62031 -name: polar amino acid zwitterion -is_a: CHEBI:26167 ! polar amino acid -is_a: CHEBI:35238 ! amino acid zwitterion -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:85383 +name: 1-heptadecanoyl-2-myristoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:62049 -name: acyl donor -is_a: CHEBI:17891 ! donor +id: CHEBI:85385 +name: 1-heptadecanoyl-2-stearoyl-sn-glycero-3-phosphate +is_a: CHEBI:28842 ! octadecanoic acid +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:62064 -name: butane-2,3-diol -is_a: CHEBI:13643 ! glycol -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:52684 ! butanediol +id: CHEBI:85386 +name: 1-heptadecanoyl-2-palmitoyl-sn-glycero-3-phosphate +is_a: CHEBI:29089 ! 1,2-diacyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:62065 -name: chondroitin 6'-sulfate anion -is_a: CHEBI:62196 ! polysaccharide acid oxoanion +id: CHEBI:85400 +name: 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:11750 ! 3-sn-phosphatidyl-L-serine [Term] -id: CHEBI:62069 -name: phaseic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85401 +name: 1-heptadecanoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:52603 ! 1-acyl-sn-glycero-3-phosphoserine [Term] -id: CHEBI:62070 -name: nalidixic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85403 +name: 1-stearoyl-sn-glycero-3-phosphoserine +is_a: CHEBI:52603 ! 1-acyl-sn-glycero-3-phosphoserine [Term] -id: CHEBI:62071 -name: 2-cis-abscisate -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:62432 ! abscisates +id: CHEBI:85404 +name: 3-dehydrocarnityl CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62072 -name: naptalamate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85405 +name: N,N,N-trimethylglycyl-CoA(3-) +is_a: CHEBI:58946 ! acyl-CoA oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62074 -name: 3-chloroacrylate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85407 +name: 1-palmitoyl-sn-glycero-3-phosphoglycerol +is_a: CHEBI:62747 ! 1-acyl-sn-glycero-3-phosphoglycerol [Term] -id: CHEBI:62081 -name: 1,1-diunsubstituted alkanesulfonate -is_a: CHEBI:134249 ! alkanesulfonate oxoanion -is_a: CHEBI:33554 ! organosulfonate oxoanion -relationship: has_role CHEBI:35703 ! xenobiotic +id: CHEBI:85408 +name: 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:64674 ! 1,2-diacyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:62164 -name: N-acetylmannosamine -is_a: CHEBI:25166 ! mannosamine +id: CHEBI:85409 +name: 1-heptadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:138532 ! lysophosphatidylethanolamine 17:0 +is_a: CHEBI:29017 ! 1-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:62196 -name: polysaccharide acid oxoanion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:85411 +name: sn-glycero-3-phosphoglycerol +is_a: CHEBI:5457 ! glycerophosphoglycerol [Term] -id: CHEBI:62215 -name: allelochemical -is_a: CHEBI:25212 ! metabolite +id: CHEBI:85412 +name: mitomycin A +is_a: CHEBI:25357 ! mitomycin +is_a: CHEBI:25698 ! ether +relationship: has_role CHEBI:22333 ! alkylating agent +relationship: has_role CHEBI:27026 ! toxin +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:62225 -name: S-sulfo-L-cysteinate(1-) -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:85413 +name: 5-hydroxyectoine zwitterion +is_a: CHEBI:35285 ! iminium betaine [Term] -id: CHEBI:62237 -name: cardiolipin(2-) -is_a: CHEBI:76529 ! glycerophosphoglycerophosphoglycerol(2-) +id: CHEBI:85414 +name: (6S)-5,6,7,8-tetrahydropteroate +is_a: CHEBI:38796 ! pteroates [Term] -id: CHEBI:62265 -name: beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc -is_a: CHEBI:22485 ! glucosamine oligosaccharide -is_a: CHEBI:59266 ! amino trisaccharide -relationship: has_role CHEBI:53000 ! epitope -relationship: has_role CHEBI:59132 ! antigen +id: CHEBI:85415 +name: (Z)-hex-3-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:62318 -name: D-lyxose -is_a: CHEBI:25097 ! lyxose +id: CHEBI:85416 +name: mitomycin B +is_a: CHEBI:25357 ! mitomycin +is_a: CHEBI:25698 ! ether +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:62320 -name: L-lyxose -is_a: CHEBI:25097 ! lyxose +id: CHEBI:85417 +name: dTDP-beta-L-daunosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62431 -name: abscisic acids -is_a: CHEBI:134397 ! tertiary allylic alcohol -is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +id: CHEBI:85418 +name: 7-demethylmitomycin B +is_a: CHEBI:25357 ! mitomycin +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:73080 ! hemiaminal [Term] -id: CHEBI:62432 -name: abscisates -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85419 +name: 7-demethylmitomycin A +is_a: CHEBI:25357 ! mitomycin +is_a: CHEBI:38163 ! organic heterotetracyclic compound [Term] -id: CHEBI:62436 -name: (+)-abscisic acid D-glucopyranosyl ester -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:35436 ! D-glucoside +id: CHEBI:85420 +name: N-isopropyl-L-glutamine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62457 -name: (17Z)-protosta-17(20),24-dien-3beta-ol -is_a: CHEBI:26893 ! tetracyclic triterpenoid -is_a: CHEBI:36836 ! 3beta-hydroxy steroid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85421 +name: N-(gamma-L-glutamyl)-L-alaninol zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62460 -name: helvolic acid -is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:47891 ! steroid acid +id: CHEBI:85422 +name: (S)-2-aminopropan-1-ol(1+) +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:62461 -name: helvolate -is_a: CHEBI:50160 ! steroid acid anion +id: CHEBI:85424 +name: glycine transporter 2 inhibitor +is_a: CHEBI:85425 ! glycine transporter inhibitor [Term] -id: CHEBI:62488 -name: signalling molecule -is_a: CHEBI:33280 ! molecular messenger +id: CHEBI:85425 +name: glycine transporter inhibitor +is_a: CHEBI:35222 ! inhibitor [Term] -id: CHEBI:62490 -name: sphingomyelin d18:1(1+) -is_a: CHEBI:35267 ! quaternary ammonium ion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85426 +name: 3-phenylpropionitrile +is_a: CHEBI:18379 ! nitrile +is_a: CHEBI:22712 ! benzenes [Term] -id: CHEBI:62499 -name: methyl-branched fatty acid -is_a: CHEBI:35819 ! branched-chain fatty acid +id: CHEBI:85427 +name: 1,2-dipalmitoyl-3-palmitoleoyl-sn-glycerol +is_a: CHEBI:64615 ! triacyl-sn-glycerol [Term] -id: CHEBI:62501 -name: folate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:67011 ! folates -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:85428 +name: trans-3-hydroxy-L-proline residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:62517 -name: tricarballylate -is_a: CHEBI:27092 ! tricarboxylic acid trianion +id: CHEBI:85429 +name: phosphatidylethanol +is_a: CHEBI:16648 ! dialkyl phosphate +is_a: CHEBI:37739 ! glycerophospholipid [Term] -id: CHEBI:62533 -name: oligogalacturonide -is_a: CHEBI:24151 ! galactooligosaccharide +id: CHEBI:85430 +name: 11-deoxy-beta-rhodomycin zwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:62537 -name: N-acylphosphatidylethanolamine(1-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:85433 +name: glutamine hydroxamate zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:62545 -name: acyl alpha,alpha-trehalose -is_a: CHEBI:33563 ! glycolipid +id: CHEBI:85439 +name: trans,trans-2,4-hexadienoyl-CoA +is_a: CHEBI:17157 ! trans,trans-2,3,4,5-tetradehydroacyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:62547 -name: polyacyl alpha,alpha-trehalose -is_a: CHEBI:62545 ! acyl alpha,alpha-trehalose +id: CHEBI:85440 +name: very long-chain (R)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:57319 ! (R)-3-hydroxyacyl-CoA(4-) [Term] -id: CHEBI:62563 -name: cellooligosaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:85442 +name: trans-3-hexenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:27700 ! trans-3-enoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:62618 -name: hydroxyacyl-CoA -is_a: CHEBI:17984 ! acyl-CoA +id: CHEBI:85443 +name: (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA +is_a: CHEBI:27700 ! trans-3-enoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:62643 -name: anionic phospholipid -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85445 +name: 2'-deoxyguanosine 5'-monophosphate(1-) residue +is_a: CHEBI:140284 ! deoxyribonucleotide residue(1-) [Term] -id: CHEBI:62663 -name: hydroxy-alkenylglucosinolate -is_a: CHEBI:24279 ! glucosinolate +id: CHEBI:85448 +name: 6-O-methyl dGMP(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:62732 -name: aromatic ester -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:35701 ! ester +id: CHEBI:85449 +name: O-tetradecenoyl-L-carnitine +is_a: CHEBI:133446 ! monounsaturated fatty acyl-L-carnitine +is_a: CHEBI:86066 ! O-tetradecenoylcarnitine [Term] -id: CHEBI:62733 -name: aromatic amide -is_a: CHEBI:32988 ! amide -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:85452 +name: 2'-deoxycytidine 5'-monophosphate(1-) residue +is_a: CHEBI:140284 ! deoxyribonucleotide residue(1-) [Term] -id: CHEBI:62755 -name: alpha-bergamotene -is_a: CHEBI:35189 ! sesquiterpene -is_a: CHEBI:35714 ! polycyclic olefin -is_a: CHEBI:35990 ! bridged compound -relationship: has_role CHEBI:27311 ! volatile oil component -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:85454 +name: 5-methyl dCMP(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:62756 -name: (-)-exo-alpha-bergamotene -is_a: CHEBI:62755 ! alpha-bergamotene +id: CHEBI:85468 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-) +is_a: CHEBI:58178 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) [Term] -id: CHEBI:62761 -name: tyrosine derivative -is_a: CHEBI:25985 ! phenylalanine derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:85471 +name: cobalt(II)-factor IV(6-) +is_a: CHEBI:59140 ! precorrin carboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62764 -name: reactive nitrogen species -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:85472 +name: O-hydroxybutyryl-L-carnitine +is_a: CHEBI:133449 ! hydroxy-fatty acyl-L-carnitine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:62776 -name: (1->4)-beta-D-galactan -is_a: CHEBI:37165 ! galactan +id: CHEBI:85474 +name: 4-hydroxy-6-(2-hydroxytridecyl)-pyran-2-one +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62777 -name: maltotriulose -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:85475 +name: 4-hydroxy-6-(11-hydroxyheptadecyl)-pyran-2-one +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62780 -name: nigerotriose -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:85477 +name: 4-hydroxy-6-(15-hydroxypentadecyl)-pyran-2-one +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62781 -name: alpha-L-Araf-(1->5)-alpha-L-Araf-(1->5)-L-Araf -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:85479 +name: 4-hydroxy-6-(non-8-en-1-yl)-pyran-2-one +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62783 -name: beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-D-Xylp -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:85480 +name: O-butenoyl-L-carnitine +is_a: CHEBI:75659 ! O-acyl-L-carnitine +is_a: CHEBI:86077 ! O-butenoylcarnitine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:62785 -name: beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-D-Manp -is_a: CHEBI:27150 ! trisaccharide +id: CHEBI:85481 +name: 4-hydroxy-6-(14-hydroxytetradecyl)-pyran-2-one +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62803 -name: fuel additive -is_a: CHEBI:51086 ! chemical role +id: CHEBI:85482 +name: 6-(hexadecan-2-yl)-4-hydroxy-pyran-2-one +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62805 -name: isooctane -is_a: CHEBI:134179 ! volatile organic compound -is_a: CHEBI:18310 ! alkane -relationship: has_role CHEBI:48355 ! non-polar solvent -relationship: has_role CHEBI:61015 ! nephrotoxin -relationship: has_role CHEBI:62803 ! fuel additive +id: CHEBI:85483 +name: 4-hydroxy-6-(2-methyldecyl)-pyran-2-one +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62837 -name: 1-oleoyl-sn-glycerol 3-phosphate -is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate +id: CHEBI:85484 +name: 4-hydroxy-6-(11-methylheptadecyl)-pyran-2-one +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62868 -name: hepatoprotective agent -is_a: CHEBI:50267 ! protective agent +id: CHEBI:85485 +name: 4-hydroxy-6-(11-methyldodecyl)-pyran-2-one +is_a: CHEBI:85514 ! 6-alkyl-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62872 -name: EC 1.2.3.1 (aldehyde oxidase) inhibitor -is_a: CHEBI:76853 ! EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor +id: CHEBI:85488 +name: chloroeremomycin(2+) +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:62913 -name: EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor -is_a: CHEBI:76790 ! EC 2.4.2.* (pentosyltransferase) inhibitor +id: CHEBI:85489 +name: cis-3-enoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:62920 -name: icosatetraenoate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:85490 +name: 4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62921 -name: (S,S,S)-nicotianamine monoanion -is_a: CHEBI:36299 ! tricarboxylic acid monoanion +id: CHEBI:85491 +name: epivancomycin(1+) +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:62932 -name: mycophenolate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85492 +name: 4-hydroxy-6-(17-hydroxy-2-oxoheptadecyl)pyran-2-one +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62933 -name: oxylipin anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:85493 +name: 4-saturated-trans-3-enoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) [Term] -id: CHEBI:62934 -name: discadenine(1-) -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:85494 +name: 4-hydroxy-6-(2-oxoundec-10-en-1-yl)pyran-2-one +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62936 -name: homomethioninate -is_a: CHEBI:33558 ! alpha-amino-acid anion -is_a: CHEBI:63470 ! sulfur-containing amino-acid anion +id: CHEBI:85495 +name: 4-hydroxy-6-(16-hydroxy-2-oxohexadecyl)pyran-2-one +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62937 -name: icosanoid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:85496 +name: 4-hydroxy-6-(3-methyl-2-oxoheptadecyl)pyran-2-one +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62938 -name: hepoxilin anion -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:59203 ! straight-chain fatty acid anion +id: CHEBI:85497 +name: 4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-one +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62941 -name: glycosylceramide -is_a: CHEBI:17761 ! ceramide -is_a: CHEBI:24402 ! glycosphingolipid +id: CHEBI:85498 +name: 4-hydroxy-6-(13-methyl-2-oxononadecyl)pyran-2-one +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62942 -name: leukotriene anion -is_a: CHEBI:62937 ! icosanoid anion +id: CHEBI:85499 +name: 4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one +is_a: CHEBI:85511 ! 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one [Term] -id: CHEBI:62943 -name: prostanoid anion -is_a: CHEBI:2580 ! unsaturated fatty acid anion -is_a: CHEBI:62937 ! icosanoid anion +id: CHEBI:85501 +name: N(4)-(beta-D-glucosyl)-L-asparagine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:62944 -name: sialic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:85504 +name: 2,6-dimethylheptanoyl-CoA +is_a: CHEBI:18100 ! multi-methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:62945 -name: thromboxane anion -is_a: CHEBI:62943 ! prostanoid anion +id: CHEBI:85507 +name: GDP-alpha-D-mannuronic acid +is_a: CHEBI:21161 ! GDP-D-mannuronic acid [Term] -id: CHEBI:62974 -name: cellotetraose -is_a: CHEBI:50126 ! tetrasaccharide +id: CHEBI:85508 +name: (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85212 ! omega-hydroxy fatty acyl-CoA [Term] -id: CHEBI:62976 -name: cellopentaose -is_a: CHEBI:35369 ! pentasaccharide +id: CHEBI:85509 +name: 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:33706 ! beta-amino acid +is_a: CHEBI:35779 ! dicarboxylic acid diamide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:62978 -name: 4-hydroxyprolinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:85510 +name: 7-hydroxylauric acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:59554 ! medium-chain fatty acid [Term] -id: CHEBI:62979 -name: 5-hydroxylysinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:85511 +name: 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one +is_a: CHEBI:17087 ! ketone +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:62980 -name: homoserinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:85514 +name: 6-alkyl-4-hydroxy-2H-pyran-2-one +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:74818 ! heteroaryl hydroxy compound +is_a: CHEBI:75885 ! 2-pyranones [Term] -id: CHEBI:62981 -name: 4-hydroxy-L-prolinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -is_a: CHEBI:62978 ! 4-hydroxyprolinate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85517 +name: acarbose 7(IV)-phosphate +is_a: CHEBI:16916 ! oligosaccharide phosphate +is_a: CHEBI:63567 ! tetrasaccharide derivative [Term] -id: CHEBI:63046 -name: emulsifier -is_a: CHEBI:51086 ! chemical role +id: CHEBI:85521 +name: 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate) +is_a: CHEBI:16500 ! 1-phosphatidyl-1D-myo-inositol 5-phosphate [Term] -id: CHEBI:63047 -name: food emulsifier -is_a: CHEBI:63046 ! emulsifier -is_a: CHEBI:64047 ! food additive +id: CHEBI:85524 +name: (3E,5Z,8Z,11Z,14Z)-icosapentaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:63048 -name: 1,3-thiazolium cation -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:38418 ! 1,3-thiazoles +id: CHEBI:85528 +name: 3-(methylthio)acryloyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:63056 -name: zinc cation -is_a: CHEBI:27365 ! zinc ion -is_a: CHEBI:33515 ! transition element cation +id: CHEBI:85529 +name: 3-hydroxy-3-(methylthio)propanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:63061 -name: UDP-rhamnose -is_a: CHEBI:17297 ! UDP-sugar +id: CHEBI:85530 +name: N(1),N(8)-bis(coumaroyl)spermidine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:51751 ! enamide +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:63062 -name: aluminium cation -is_a: CHEBI:25213 ! metal cation -is_a: CHEBI:60272 ! aluminium ion +id: CHEBI:85531 +name: trans-4-coumaroyl-CoA +is_a: CHEBI:15499 ! 4-coumaroyl-CoA [Term] -id: CHEBI:63063 -name: cadmium cation -is_a: CHEBI:33515 ! transition element cation +id: CHEBI:85532 +name: D-galactaro-1,4-lactone +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:37426 ! aldarolactone [Term] -id: CHEBI:63067 -name: zeaxanthin bis(beta-D-glucoside) -is_a: CHEBI:22798 ! beta-D-glucoside -is_a: CHEBI:23044 ! carotenoid +id: CHEBI:85533 +name: trans-4-hydroxy-L-proline betaine +is_a: CHEBI:22860 ! amino-acid betaine +is_a: CHEBI:26456 ! pyrrolidine alkaloid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:63068 -name: octacarboxylic acid anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:85534 +name: cis-4-hydroxy-D-proline betaine +is_a: CHEBI:22860 ! amino-acid betaine +is_a: CHEBI:26456 ! pyrrolidine alkaloid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:63070 -name: beta-alaninate -is_a: CHEBI:49095 ! beta-amino-acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:85538 +name: (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate +is_a: CHEBI:58109 ! (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:63072 -name: L-homocysteinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -is_a: CHEBI:66952 ! homocysteinate +id: CHEBI:85541 +name: elemental bismuth +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:37196 ! bismuth molecular entity [Term] -id: CHEBI:63114 -name: sphingosine-1-phosphate receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:85543 +name: bismuth ion +is_a: CHEBI:36914 ! inorganic ion +is_a: CHEBI:85541 ! elemental bismuth [Term] -id: CHEBI:63137 -name: 4-hydroxyproline zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:85547 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:63158 -name: EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor -is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor +id: CHEBI:85548 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:63161 -name: glycosyl compound -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:85549 +name: 9alpha-hydroxyandrost-4-en-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:63644 ! 9-hydroxy steroid [Term] -id: CHEBI:63163 -name: L-cystine anion -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85550 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:63165 -name: ribonucleoside monophosphate oxoanion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85551 +name: 3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-) +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:63166 -name: leukotriene D4(1-) -is_a: CHEBI:60334 ! peptide anion -is_a: CHEBI:62942 ! leukotriene anion +id: CHEBI:85552 +name: 15-dehydroprostaglandin A1 +is_a: CHEBI:26334 ! prostaglandins A +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite -[Term] -id: CHEBI:63169 -name: pyranopterin -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38104 ! oxacycle +[Term] +id: CHEBI:85553 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-) +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:63171 -name: mononitrotoluene -is_a: CHEBI:25566 ! nitrotoluene +id: CHEBI:85554 +name: (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:63173 -name: T-cell proliferation inhibitor -is_a: CHEBI:35222 ! inhibitor +id: CHEBI:85555 +name: (2E,4Z)-dienoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA [Term] -id: CHEBI:63184 -name: 11-oxo-beta-amyrin -is_a: CHEBI:25872 ! pentacyclic triterpenoid -is_a: CHEBI:36130 ! cyclic terpene ketone +id: CHEBI:85556 +name: trans,trans-2,4-dienoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA [Term] -id: CHEBI:63191 -name: beta-caryophyllene -is_a: CHEBI:35189 ! sesquiterpene -is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon +id: CHEBI:85557 +name: trans-3-cis-5-octadienoyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +is_a: CHEBI:85559 ! (3E,5Z)-dienoyl-CoA [Term] -id: CHEBI:63247 -name: reducing agent -is_a: CHEBI:51086 ! chemical role +id: CHEBI:85559 +name: (3E,5Z)-dienoyl-CoA +is_a: CHEBI:27700 ! trans-3-enoyl-CoA [Term] -id: CHEBI:63248 -name: oxidising agent -is_a: CHEBI:51086 ! chemical role +id: CHEBI:85560 +name: (5Z)-icosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:63299 -name: carbohydrate derivative -is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives +id: CHEBI:85563 +name: lysophosphatidylcholine 6:0 +is_a: CHEBI:60479 ! lysophosphatidylcholine [Term] -id: CHEBI:63300 -name: osmoregulated periplasmic glucan -is_a: CHEBI:37163 ! glucan +id: CHEBI:85564 +name: phosphatidylcholine 24:0 +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:63332 -name: EC 3.1.3.1 (alkaline phosphatase) inhibitor -is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor +id: CHEBI:85575 +name: 3,17-dihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one +is_a: CHEBI:24751 ! hydroxytoluene +is_a: CHEBI:26616 ! seco-androstane +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:63338 -name: deoxy sugar derivative -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:85576 +name: 3,4,17-trihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one +is_a: CHEBI:26616 ! seco-androstane +is_a: CHEBI:33566 ! catechols +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:63340 -name: deoxyhexose derivative -is_a: CHEBI:63338 ! deoxy sugar derivative +id: CHEBI:85586 +name: glutathione S-sulfinate(2-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:63347 -name: dideoxyhexose derivative -is_a: CHEBI:63340 ! deoxyhexose derivative +id: CHEBI:85587 +name: 9-hydroperoxy-10E-octadecenoic acid +is_a: CHEBI:134613 ! hydroperoxyoctadecenoic acid [Term] -id: CHEBI:63353 -name: disaccharide derivative -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:85589 +name: 10-hydroperoxy-8E-octadecenoic acid +is_a: CHEBI:134613 ! hydroperoxyoctadecenoic acid [Term] -id: CHEBI:63367 -name: monosaccharide derivative -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:85602 +name: N-carbamoyl-D-alpha-amino acid anion +is_a: CHEBI:59876 ! N-acyl-D-alpha-amino acid anion [Term] -id: CHEBI:63378 -name: anhydro sugar derivative +id: CHEBI:85603 +name: 1-tuberculosinyladenosine(1+) +is_a: CHEBI:25697 ! organic cation +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:85614 +name: neopikromycin +is_a: CHEBI:25105 ! macrolide antibiotic +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:51689 ! enone is_a: CHEBI:63367 ! monosaccharide derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:63379 -name: anhydrohexose derivative -is_a: CHEBI:63378 ! anhydro sugar derivative +id: CHEBI:85620 +name: Fe4S3 iron-sulfur cluster +is_a: CHEBI:30408 ! iron-sulfur cluster [Term] -id: CHEBI:63385 -name: hexose derivative -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:85621 +name: L-3-oxoalanine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:63394 -name: ketoaldonic acid derivative -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:85630 +name: (Kdo)2-lipid A 1-diphosphate (E. coli) +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:63402 -name: ketose derivative -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:85634 +name: (3R)-3-hydroxy fatty acid anion +is_a: CHEBI:84196 ! 3-hydroxy fatty acid anion [Term] -id: CHEBI:63405 -name: ketopentose derivative -is_a: CHEBI:63402 ! ketose derivative -is_a: CHEBI:63409 ! pentose derivative +id: CHEBI:85635 +name: (R)-3-hydroxytetradecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:85634 ! (3R)-3-hydroxy fatty acid anion [Term] -id: CHEBI:63407 -name: ketotriose derivative -is_a: CHEBI:63402 ! ketose derivative -is_a: CHEBI:63413 ! triose derivative +id: CHEBI:85636 +name: (2R)-2-hydroxytetradecanoate +is_a: CHEBI:76177 ! (2R)-2-hydroxy fatty acid anion +is_a: CHEBI:84335 ! 2-hydroxymyristate [Term] -id: CHEBI:63409 -name: pentose derivative -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:85637 +name: (2S)-2-hydroxytetradecanoate +is_a: CHEBI:58123 ! (2S)-2-hydroxy monocarboxylic acid anion +is_a: CHEBI:84335 ! 2-hydroxymyristate [Term] -id: CHEBI:63410 -name: all-trans-retinyl ester -is_a: CHEBI:16179 ! retinyl ester +id: CHEBI:85638 +name: haloacetate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:63413 -name: triose derivative -is_a: CHEBI:63367 ! monosaccharide derivative +id: CHEBI:85639 +name: (9Z)-12-hydroxyoctadec-9-enoic acid +is_a: CHEBI:131869 ! hydroxy monounsaturated fatty acid +is_a: CHEBI:134362 ! homoallylic alcohol +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid +is_a: CHEBI:35681 ! secondary alcohol [Term] -id: CHEBI:63415 -name: glycodiaosylceramide -is_a: CHEBI:36520 ! oligoglycosylceramide +id: CHEBI:85640 +name: cis-3-octenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:85489 ! cis-3-enoyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:63423 -name: alditol derivative -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:85641 +name: (9E)-12-hydroxyoctadec-9-enoic acid +is_a: CHEBI:131869 ! hydroxy monounsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:24654 ! hydroxy fatty acid [Term] -id: CHEBI:63434 -name: pentitol derivative -is_a: CHEBI:63423 ! alditol derivative +id: CHEBI:85643 +name: 3'-terminal pUpU(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:63436 -name: carbohydrate acid derivative -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:85644 +name: UMP 2',3'-cyclic phosphate(2-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:63469 -name: 3-hydroxy-3-phenylpropionate -is_a: CHEBI:22743 ! benzyl alcohols -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85650 +name: (11E,13Z)-octadecadienoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) [Term] -id: CHEBI:63470 -name: sulfur-containing amino-acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:85651 +name: (5Z,11E)-octadecadienoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) [Term] -id: CHEBI:63471 -name: branched-chain amino-acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:85652 +name: (6Z,11E)-octadecadienoyl-CoA(4-) +is_a: CHEBI:139565 ! octadecadienoyl-CoA(4-) [Term] -id: CHEBI:63473 -name: aromatic amino-acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:85654 +name: N-palmitoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85656 ! N-acyllysophosphatidylethanolamine [Term] -id: CHEBI:63474 -name: arsonoacetic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85655 +name: (3E)-nonenoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:63475 -name: ectoinate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85656 +name: N-acyllysophosphatidylethanolamine +is_a: CHEBI:37739 ! glycerophospholipid [Term] -id: CHEBI:63476 -name: 4-carboxylato-4'-sulfonatoazobenzene -is_a: CHEBI:22682 ! azobenzenes -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:53348 ! benzenesulfonates +id: CHEBI:85657 +name: N-hexadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85658 ! N-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:63477 -name: iodothyroninate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:85658 +name: N-acyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:37739 ! glycerophospholipid [Term] -id: CHEBI:63490 -name: explosive -is_a: CHEBI:51086 ! chemical role +id: CHEBI:85659 +name: (3E)-phycoerythrobilin +is_a: CHEBI:36741 ! phycoerythrobilin [Term] -id: CHEBI:63523 -name: fructosyllysinate -is_a: CHEBI:63790 ! glyco-amino-acid anion +id: CHEBI:85660 +name: N-stearoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85656 ! N-acyllysophosphatidylethanolamine [Term] -id: CHEBI:63524 -name: 5-hydroxyectoinate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:85661 +name: 9,10-epoxyoctadecanoic acid +is_a: CHEBI:134617 ! epoxystearic acid [Term] -id: CHEBI:63525 -name: D-mannosyl-D-glycerate -is_a: CHEBI:33721 ! carbohydrate acid anion +id: CHEBI:85664 +name: N,1-dioleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85656 ! N-acyllysophosphatidylethanolamine [Term] -id: CHEBI:63526 -name: platinum cation -is_a: CHEBI:33515 ! transition element cation -is_a: CHEBI:49202 ! elemental platinum +id: CHEBI:85666 +name: N-arachidonoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85656 ! N-acyllysophosphatidylethanolamine [Term] -id: CHEBI:63527 -name: TTP(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85667 +name: N-icosanoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85656 ! N-acyllysophosphatidylethanolamine [Term] -id: CHEBI:63528 -name: dTMP(2-) -is_a: CHEBI:65317 ! 2'-deoxynucleoside 5'-monophosphate(2-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:85668 +name: N-octadecanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85658 ! N-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:63529 -name: guanyl deoxyribonucleotide oxoanion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85669 +name: N-icosanoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85658 ! N-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:63534 -name: monoamine -is_a: CHEBI:64365 ! aralkylamino compound +id: CHEBI:85670 +name: N-oleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85658 ! N-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:63550 -name: TTP -is_a: CHEBI:37044 ! pyrimidine ribonucleoside 5'-triphosphate +id: CHEBI:85671 +name: N-arachidonoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85658 ! N-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:63551 -name: carbohydrate acid derivative anion -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:85672 +name: 1-(9Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphate +is_a: CHEBI:37296 ! 1-alkyl-2-acyl-sn-glycerol 3-phosphate [Term] -id: CHEBI:63561 -name: ketoaldonate derivative -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:85674 +name: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:63563 -name: oligosaccharide derivative -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:85675 +name: 3-phenylpropanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:63567 -name: tetrasaccharide derivative -is_a: CHEBI:63563 ! oligosaccharide derivative +id: CHEBI:85676 +name: 3-phenylpropanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:63571 -name: trisaccharide derivative -is_a: CHEBI:63563 ! oligosaccharide derivative +id: CHEBI:85678 +name: (3R)-3-hydroxy fatty acid +is_a: CHEBI:59845 ! 3-hydroxy fatty acid [Term] -id: CHEBI:63573 -name: guanyl deoxyribonucleotide -is_a: CHEBI:26390 ! purine 2'-deoxyribonucleotide -is_a: CHEBI:61292 ! guanyl nucleotide +id: CHEBI:85679 +name: 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion +is_a: CHEBI:64573 ! 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:63580 -name: ribavirin -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:62733 ! aromatic amide -is_a: CHEBI:63594 ! 1-ribosyltriazole -relationship: has_role CHEBI:22587 ! antiviral agent -relationship: has_role CHEBI:35221 ! antimetabolite -relationship: has_role CHEBI:35441 ! antiinfective agent -relationship: has_role CHEBI:59897 ! EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor +id: CHEBI:85680 +name: 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion +is_a: CHEBI:64572 ! 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:63593 -name: 1-glycosyltriazole -is_a: CHEBI:21731 ! N-glycosyl compound -is_a: CHEBI:35727 ! triazoles +id: CHEBI:85687 +name: diacylglycerol 32:1 +is_a: CHEBI:18035 ! diglyceride [Term] -id: CHEBI:63594 -name: 1-ribosyltriazole -is_a: CHEBI:63593 ! 1-glycosyltriazole +id: CHEBI:85694 +name: diacylglycerol 34:1 +is_a: CHEBI:18035 ! diglyceride [Term] -id: CHEBI:63624 -name: telbivudine -is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside -relationship: has_role CHEBI:36044 ! antiviral drug -relationship: has_role CHEBI:59897 ! EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor +id: CHEBI:857 +name: 2,2'-iminodipropanoic acid +is_a: CHEBI:36164 ! amino dicarboxylic acid +is_a: CHEBI:83229 ! amino acid opine [Term] -id: CHEBI:63709 -name: bicyclogermacrene -is_a: CHEBI:35189 ! sesquiterpene -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85701 +name: diacylglycerol 36:2 +is_a: CHEBI:18035 ! diglyceride [Term] -id: CHEBI:63726 -name: neuroprotective agent -is_a: CHEBI:50267 ! protective agent +id: CHEBI:85721 +name: diacylglycerol 28:0 +is_a: CHEBI:18035 ! diglyceride [Term] -id: CHEBI:63732 -name: 1,1-diol -is_a: CHEBI:30879 ! alcohol +id: CHEBI:85777 +name: Cer(d42:1) +is_a: CHEBI:83273 ! N-acylsphingoid [Term] -id: CHEBI:63734 -name: ketone hydrate -is_a: CHEBI:63732 ! 1,1-diol +id: CHEBI:85778 +name: 4beta-hydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:63736 -name: diadenosyl hexaphosphate -is_a: CHEBI:64603 ! diadenosyl polyphosphate +id: CHEBI:85779 +name: 4beta,7alpha-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol +is_a: CHEBI:62846 ! 4-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:63737 -name: diadenosyl pentaphosphate -is_a: CHEBI:64603 ! diadenosyl polyphosphate +id: CHEBI:85780 +name: N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85658 ! N-acyl-sn-glycero-3-phosphoethanolamine [Term] -id: CHEBI:63738 -name: diadenosyl tetraphosphate -is_a: CHEBI:64603 ! diadenosyl polyphosphate +id: CHEBI:85783 +name: 1,2-dihexadecanoyl-sn-glycero-3-phosphoglycerol +is_a: CHEBI:60724 ! dipalmitoyl phosphatidylglycerol [Term] -id: CHEBI:63739 -name: diadenosyl triphosphate -is_a: CHEBI:64603 ! diadenosyl polyphosphate +id: CHEBI:85784 +name: N-arachidonoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:63790 -name: glyco-amino-acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:85785 +name: monodechloroaminopyrrolnitrin +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:63794 -name: retinoid X receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:85786 +name: aminopyrrolnitrin +is_a: CHEBI:26455 ! pyrroles +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:48975 ! substituted aniline +is_a: CHEBI:83403 ! monochlorobenzenes +relationship: has_role CHEBI:35497 ! androgen antagonist +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:63813 -name: adenosine 5'-pentaphosphate(6-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85787 +name: 1-decanoyl-2-oleoylglycerol +is_a: CHEBI:49172 ! 1,2-diglyceride [Term] -id: CHEBI:63933 -name: Aroclor 1254 -is_a: CHEBI:60004 ! mixture -relationship: has_part CHEBI:53156 ! polychlorobiphenyl -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50910 ! neurotoxin +id: CHEBI:85790 +name: N,1,2-trioleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:138239 ! N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:63944 -name: macrocyclic lactone -is_a: CHEBI:25000 ! lactone -is_a: CHEBI:51026 ! macrocycle +id: CHEBI:85791 +name: N-stearoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:63954 -name: ionomycin -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:27283 ! very long-chain fatty acid -is_a: CHEBI:33823 ! enol -is_a: CHEBI:37407 ! cyclic ether -relationship: has_role CHEBI:22986 ! calcium ionophore -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85793 +name: N-myristoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:63962 -name: Hsp90 inhibitor -is_a: CHEBI:76939 ! EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor +id: CHEBI:85794 +name: N-lauroyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:64009 -name: hydroperoxy fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:85796 +name: N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:64012 -name: hydroperoxy fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:85797 +name: N-capryloyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:64018 -name: protein kinase C agonist -is_a: CHEBI:64106 ! protein kinase agonist +id: CHEBI:85798 +name: N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:64047 -name: food additive -is_a: CHEBI:33232 ! application -is_a: CHEBI:78295 ! food component +id: CHEBI:85799 +name: N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:64049 -name: food acidity regulator -is_a: CHEBI:64047 ! food additive +id: CHEBI:85800 +name: (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid +is_a: CHEBI:17337 ! (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64090 -name: tert-butyl hydroperoxide -is_a: CHEBI:61050 ! alkyl hydroperoxide -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:63248 ! oxidising agent +id: CHEBI:85801 +name: heparosan D-glucuronic acid +is_a: CHEBI:24500 ! heparan [Term] -id: CHEBI:64106 -name: protein kinase agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:85802 +name: heparosan L-iduronic acid +is_a: CHEBI:24500 ! heparan [Term] -id: CHEBI:64120 -name: M-factor -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:25676 ! oligopeptide -is_a: CHEBI:38579 ! peptide pheromone +id: CHEBI:85803 +name: (R)-ethylmalonyl-CoA +is_a: CHEBI:37555 ! omega-carboxyacyl-CoA [Term] -id: CHEBI:64121 -name: P-factor -is_a: CHEBI:15841 ! polypeptide -is_a: CHEBI:25905 ! peptide hormone -is_a: CHEBI:33694 ! biomacromolecule +id: CHEBI:85804 +name: UDP-4-dehydro-6-deoxy-alpha-D-glucose +is_a: CHEBI:16553 ! UDP-4-dehydro-6-deoxy-D-glucose [Term] -id: CHEBI:64124 -name: phytosphingosine(1+) -is_a: CHEBI:84410 ! sphingoid base(1+) +id: CHEBI:85805 +name: D-glucaro-1,4-lactone +is_a: CHEBI:18946 ! delta-lactone +is_a: CHEBI:37426 ! aldarolactone [Term] -id: CHEBI:64130 -name: pyrazinoindole -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:85806 +name: N,1-dipalmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:61232 ! N-acylphosphatidylethanolamine [Term] -id: CHEBI:64133 -name: EC 2.5.1.58 (protein farnesyltransferase) inhibitor -is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor +id: CHEBI:85808 +name: N,1-dipalmitoyl-sn-glycero-3-phosphoethanolamine +is_a: CHEBI:85656 ! N-acyllysophosphatidylethanolamine [Term] -id: CHEBI:64152 -name: cysteine protease inhibitor -is_a: CHEBI:37670 ! protease inhibitor -is_a: CHEBI:76796 ! EC 3.4.22.* (cysteine endopeptidase) inhibitor +id: CHEBI:85809 +name: 5alpha-androstane-3beta,6alpha,17beta-triol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:64161 -name: asperthecin -is_a: CHEBI:132198 ! pentahydroxyanthraquinone -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:26130 ! biological pigment +id: CHEBI:85810 +name: androst-5-ene-3beta,7alpha,17beta-triol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:27136 ! triol +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid [Term] -id: CHEBI:64220 -name: monosodium glutamate -is_a: CHEBI:38700 ! organic sodium salt -relationship: has_part CHEBI:14321 ! glutamate(1-) +id: CHEBI:85811 +name: (6S)-5,6,7,8-tetrahydropteroic acid +is_a: CHEBI:38795 ! pteroic acids [Term] -id: CHEBI:64228 -name: tunicamycin A0 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85812 +name: Cer(d42:2) +is_a: CHEBI:83273 ! N-acylsphingoid [Term] -id: CHEBI:64237 -name: EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor -is_a: CHEBI:76816 ! EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor +id: CHEBI:85816 +name: (3beta,5alpha,7alpha)-3,7-dihydroxyandrostan-17-one +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid [Term] -id: CHEBI:64243 -name: monosodium L-glutamate -is_a: CHEBI:64220 ! monosodium glutamate -relationship: has_part CHEBI:29985 ! L-glutamate(1-) -relationship: has_role CHEBI:35617 ! flavouring agent +id: CHEBI:85820 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,5-bisphosphate) +is_a: CHEBI:16851 ! 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:64244 -name: monosodium D-glutamate -is_a: CHEBI:64220 ! monosodium glutamate -relationship: has_part CHEBI:29986 ! D-glutamate(1-) +id: CHEBI:85829 +name: CDP-1-stearoyl-2-arachidonoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64245 -name: tunicamycin A1 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85830 +name: CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64246 -name: tunicamycin A2 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85835 +name: CDP-1,2-diarachidonoyl-sn-glycerol +is_a: CHEBI:15843 ! arachidonic acid +is_a: CHEBI:17962 ! CDP-diacylglycerol [Term] -id: CHEBI:64248 -name: tunicamycin B1 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85838 +name: CDP-1-stearoyl-2-linoleoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64250 -name: tunicamycin B2 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85841 +name: CDP-1-stearoyl-2-oleoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64255 -name: tunicamycin B3 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85846 +name: CDP-1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol [Term] -id: CHEBI:64256 -name: tunicamycin C1 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85848 +name: CDP-1,2-dilinoleoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol [Term] -id: CHEBI:64257 -name: tunicamycin C2 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85856 +name: CDP-1,2-dioleoyl-sn-glycerol +is_a: CHEBI:17962 ! CDP-diacylglycerol [Term] -id: CHEBI:64271 -name: tunicamycin D1 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:85876 +name: triacylglycerol 54:6 +is_a: CHEBI:17855 ! triglyceride [Term] -id: CHEBI:64272 -name: tunicamycin D2 -is_a: CHEBI:33838 ! nucleoside -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:8588 +name: protodioscin +is_a: CHEBI:22798 ! beta-D-glucoside +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:59780 ! cyclic hemiketal +is_a: CHEBI:61655 ! steroid saponin +is_a: CHEBI:63571 ! trisaccharide derivative +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:64283 -name: copal-8-ol diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:85881 +name: N-octanoylsphingosine 1-phosphate +is_a: CHEBI:16197 ! N-acylsphingosine 1-phosphate [Term] -id: CHEBI:64290 -name: erythromycin cation -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:85882 +name: N-oleoylsphingosine 1-phosphate +is_a: CHEBI:16197 ! N-acylsphingosine 1-phosphate [Term] -id: CHEBI:64293 -name: copal-8-ol diphosphate -is_a: CHEBI:36770 ! labdane diterpenoid -is_a: CHEBI:36772 ! diterpenyl phosphate +id: CHEBI:85886 +name: 3-dehydrocarnityl CoA +is_a: CHEBI:17984 ! acyl-CoA +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64302 -name: cyanamide(2-) -is_a: CHEBI:50335 ! organic nitrogen anion +id: CHEBI:85888 +name: N,N,N-trimethylglycyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +is_a: CHEBI:35267 ! quaternary ammonium ion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64345 -name: MALDI matrix material -is_a: CHEBI:33232 ! application +id: CHEBI:85889 +name: (Z)-hex-3-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:27773 ! cis-3-enoyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:64365 -name: aralkylamino compound -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:85891 +name: N-isopropyl-L-glutamine +is_a: CHEBI:21844 ! N(5)-alkyl-L-glutamine +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64368 -name: 3-hydroxyproline -is_a: CHEBI:86499 ! monohydroxyproline +id: CHEBI:85894 +name: N-(gamma-L-glutamyl)-L-alaninol +is_a: CHEBI:21844 ! N(5)-alkyl-L-glutamine +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64372 -name: emericellamide -is_a: CHEBI:24995 ! lactam -is_a: CHEBI:35213 ! cyclodepsipeptide -is_a: CHEBI:46895 ! lipopeptide -is_a: CHEBI:63944 ! macrocyclic lactone -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85895 +name: 4-amino-5-formamidomethyl-2-methylpyrimidine +is_a: CHEBI:24079 ! formamides +is_a: CHEBI:38338 ! aminopyrimidine +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:64373 -name: emericellamide A -is_a: CHEBI:64372 ! emericellamide +id: CHEBI:85897 +name: 11-deoxy-beta-rhodomycin +is_a: CHEBI:25830 ! p-quinones +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:35315 ! deoxy hexoside +is_a: CHEBI:47779 ! aminoglycoside +is_a: CHEBI:48120 ! anthracycline +is_a: CHEBI:63367 ! monosaccharide derivative [Term] -id: CHEBI:64397 -name: asperfuranone -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:23824 ! diol -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:38831 ! 2-benzofurans -is_a: CHEBI:3992 ! cyclic ketone -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:85899 +name: 4-pregnen-3beta-ol-20-one +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:61313 ! C21-steroid [Term] -id: CHEBI:64398 -name: monodictyphenone -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:22726 ! benzophenones -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33572 ! resorcinols -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85900 +name: 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate) +is_a: CHEBI:17526 ! 1-phosphatidyl-1D-myo-inositol 4-phosphate +is_a: CHEBI:87657 ! octanoate ester + +[Term] +id: CHEBI:85904 +name: glutathione S-sulfinate +is_a: CHEBI:17021 ! S-substitued glutathione +is_a: CHEBI:47923 ! tripeptide +is_a: CHEBI:83824 ! L-cysteine derivative [Term] -id: CHEBI:64405 -name: F-9775A -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:38164 ! organic heteropentacyclic compound -relationship: has_role CHEBI:64406 ! EC 3.4.22.38 (cathepsin K) inhibitor -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:85905 +name: cobalt(II)-factor IV +is_a: CHEBI:23389 ! cobalt-corrinoid heptacarboxylic acid +is_a: CHEBI:25216 ! metalloporphyrin +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64406 -name: EC 3.4.22.38 (cathepsin K) inhibitor -is_a: CHEBI:64152 ! cysteine protease inhibitor -is_a: CHEBI:76796 ! EC 3.4.22.* (cysteine endopeptidase) inhibitor +id: CHEBI:85906 +name: (2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone +is_a: CHEBI:62734 ! 2,7-dihydroxy-4'-methoxyisoflavanone [Term] -id: CHEBI:64409 -name: F-9775B -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:38164 ! organic heteropentacyclic compound -relationship: has_role CHEBI:64406 ! EC 3.4.22.38 (cathepsin K) inhibitor -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:85907 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:64410 -name: gerfelin -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:64411 ! EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor +id: CHEBI:85908 +name: 2-methyl-L-tryptophan zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64411 -name: EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor -is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor +id: CHEBI:85909 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:64413 -name: diorcinol -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85910 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:63644 ! 9-hydroxy steroid [Term] -id: CHEBI:64415 -name: violaceol I -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:85911 +name: 3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid [Term] -id: CHEBI:64416 -name: EC 1.3.1.43 (arogenate dehydrogenase) inhibitor -is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor +id: CHEBI:85912 +name: 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:63644 ! 9-hydroxy steroid +is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid [Term] -id: CHEBI:64417 -name: violaceol II -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:33572 ! resorcinols -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:85914 +name: (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:64418 -name: austinol -is_a: CHEBI:64419 ! meroterpenoid +id: CHEBI:85919 +name: O-[S-(4Z)-hexadecenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:64419 -name: meroterpenoid -is_a: CHEBI:36963 ! organooxygen compound -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85926 +name: (14Z)-hexadecenoyl-CoA(4-) +is_a: CHEBI:139572 ! hexadecenoyl-CoA(4-) [Term] -id: CHEBI:64421 -name: dehydroaustinol -is_a: CHEBI:64419 ! meroterpenoid +id: CHEBI:85927 +name: (14E)-hexadecenoyl-CoA(4-) +is_a: CHEBI:139572 ! hexadecenoyl-CoA(4-) [Term] -id: CHEBI:64429 -name: chanoclavine-I aldehyde -is_a: CHEBI:23943 ! ergot alkaloid -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:51688 ! enal -is_a: CHEBI:51959 ! organic tricyclic compound +id: CHEBI:85934 +name: (2R)-2-hydroxytetradecanoic acid +is_a: CHEBI:59270 ! 2-hydroxymyristic acid [Term] -id: CHEBI:64436 -name: arugosin -is_a: CHEBI:36963 ! organooxygen compound -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85937 +name: (2S)-2-hydroxytetradecanoic acid +is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid +is_a: CHEBI:59270 ! 2-hydroxymyristic acid [Term] -id: CHEBI:64448 -name: arsonate(1-) -is_a: CHEBI:35776 ! arsenic oxoanion +id: CHEBI:85939 +name: cis-3-octenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:64450 -name: endocrocin -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:37488 ! trihydroxyanthraquinone -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85951 +name: N-acyl-(4R,8Z)-4-hydroxysphing-8-enine +is_a: CHEBI:139051 ! phytoceramide [Term] -id: CHEBI:64454 -name: (+)-kotanin -is_a: CHEBI:64462 ! 8,8'-bicoumarins -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85953 +name: N-acyl-(4E,8E)-sphinga-4,8-dienine +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:64459 -name: biaryl -is_a: CHEBI:33659 ! organic aromatic compound +id: CHEBI:85955 +name: (11E,13Z)-octadecadienoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA [Term] -id: CHEBI:64461 -name: bicoumarin -is_a: CHEBI:38104 ! oxacycle -is_a: CHEBI:64459 ! biaryl +id: CHEBI:85956 +name: (5Z,11E)-octadecadienoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA [Term] -id: CHEBI:64462 -name: 8,8'-bicoumarins -is_a: CHEBI:64461 ! bicoumarin +id: CHEBI:85957 +name: (6Z,11E)-octadecadienoyl-CoA +is_a: CHEBI:139578 ! octadecadienoyl-CoA [Term] -id: CHEBI:64465 -name: demethylkotanin -is_a: CHEBI:64462 ! 8,8'-bicoumarins -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85958 +name: 5'-(N(7)-methyl 5'-triphosphoguanosine)-2'-O-methyladenosine 5'-phosphate(3-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:64473 -name: orlandin -is_a: CHEBI:64462 ! 8,8'-bicoumarins -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:85959 +name: 5'-(N(7)-methyl 5'-triphosphoguanosine)-N(7),2'-O-dimethyladenosine 5'-phosphate(3-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:64474 -name: p-hydroxyphenyl lignin -is_a: CHEBI:6457 ! lignin +id: CHEBI:85960 +name: (3E)-nonenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:64475 -name: guaiacyl lignin -is_a: CHEBI:6457 ! lignin -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:85962 +name: 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine +is_a: CHEBI:64596 ! 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64476 -name: syringal lignin -is_a: CHEBI:6457 ! lignin -relationship: has_role CHEBI:75771 ! mouse metabolite +id: CHEBI:85963 +name: 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine +is_a: CHEBI:64595 ! 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64477 -name: monolignol -is_a: CHEBI:76924 ! plant metabolite +id: CHEBI:85970 +name: hydroxyaurone +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:72576 ! aurones [Term] -id: CHEBI:64482 -name: phosphatidylcholine -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:36313 ! glycerophosphocholine +id: CHEBI:85985 +name: 3-deoxy-alpha-D-manno-2-octulosonate-8-phosphate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:64492 -name: ferricrocin -is_a: CHEBI:61414 ! ferrichromes -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:85986 +name: 3-deoxy-alpha-D-manno-oct-2-ulosonate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:64493 -name: sarcinapterin -is_a: CHEBI:37669 ! methanopterins +id: CHEBI:85987 +name: CMP-3-deoxy-beta-D-manno-octulosonate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:64494 -name: tatiopterin -is_a: CHEBI:26375 ! pterins +id: CHEBI:86013 +name: 2-hydroxytestosterone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36857 ! 2-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:50402 ! androstanoid [Term] -id: CHEBI:64497 -name: cspyrone B1 -is_a: CHEBI:35871 ! oxo monocarboxylic acid -is_a: CHEBI:51867 ! methyl ketone -is_a: CHEBI:75885 ! 2-pyranones -is_a: CHEBI:76224 ! aromatic ketone -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:86014 +name: 3,22-dioxochol-4-en-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:64499 -name: shamixanthone -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:64515 ! pyranoxanthene -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:86016 +name: GDP-N,N'-diacetylbacillosamine(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64502 -name: 1-heptadecene -is_a: CHEBI:32878 ! alkene -relationship: has_role CHEBI:26013 ! pheromone -relationship: has_role CHEBI:75767 ! animal metabolite +id: CHEBI:86018 +name: 3beta-hydroxychol-5-en-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:64503 -name: nonadec-1-ene -is_a: CHEBI:32878 ! alkene +id: CHEBI:86019 +name: S-[(2E,6E)-farnesyl]-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue + +[Term] +id: CHEBI:8602 +name: pseudobaptigenin +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:55465 ! 7-hydroxyisoflavones +relationship: has_role CHEBI:35820 ! antiprotozoal drug relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64506 -name: (Z)-nonadeca-1,14-diene -is_a: CHEBI:33646 ! alkadiene +id: CHEBI:86020 +name: 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:64507 -name: 18-methylnonadec-1-ene -is_a: CHEBI:32878 ! alkene +id: CHEBI:86021 +name: S-geranylgeranyl-L-cysteine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:64508 -name: 17-methylnonadec-1-ene -is_a: CHEBI:32878 ! alkene +id: CHEBI:86026 +name: tRNA threonylcarbamoyladenosine +is_a: CHEBI:33697 ! ribonucleic acid [Term] -id: CHEBI:64509 -name: oxapenam -is_a: CHEBI:35627 ! beta-lactam +id: CHEBI:86027 +name: naphthopyran +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:38104 ! oxacycle [Term] -id: CHEBI:64512 -name: emericellin -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:51149 ! xanthones -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:86028 +name: 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:64514 -name: sarcinapterin(4-) -is_a: CHEBI:27092 ! tricarboxylic acid trianion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:86029 +name: liver X receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:64515 -name: pyranoxanthene -is_a: CHEBI:38163 ! organic heterotetracyclic compound +id: CHEBI:86037 +name: 3beta-hydroxychola-5,22-dien-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:64518 -name: cordyol C -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38068 ! antimalarial -relationship: has_role CHEBI:64912 ! antimycobacterial drug -relationship: has_role CHEBI:64953 ! anti-HSV-1 agent +id: CHEBI:86040 +name: 3-hydroxyoctanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:64522 -name: averantin -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:37496 ! tetrahydroxyanthraquinone -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:86041 +name: 3-hydroxydecanoyl-CoA(4-) +is_a: CHEBI:65102 ! 3-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:64530 -name: brevianamide F -is_a: CHEBI:24828 ! indoles -is_a: CHEBI:46761 ! dipeptide -is_a: CHEBI:48337 ! pyrrolopyrazine -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:86042 +name: 2-methyl-3-oxopalmitoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:64531 -name: fumitremorgin B -is_a: CHEBI:38164 ! organic heteropentacyclic compound -is_a: CHEBI:38958 ! indole alkaloid -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:86043 +name: O-acyl-D-carnitine +is_a: CHEBI:17387 ! O-acylcarnitine [Term] -id: CHEBI:64532 -name: dihydroxytoluene -is_a: CHEBI:24751 ! hydroxytoluene -is_a: CHEBI:33570 ! benzenediols +id: CHEBI:86044 +name: 18-hydroxyoleoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:84204 ! omega-hydroxy fatty acyl-CoA(4-) [Term] -id: CHEBI:64534 -name: terrequinone A -is_a: CHEBI:51879 ! bisindole alkaloid -is_a: CHEBI:67273 ! monohydroxy-1,4-benzoquinones -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:86045 +name: O-acetyl-D-carnitine +is_a: CHEBI:73024 ! O-acetylcarnitine +is_a: CHEBI:86043 ! O-acyl-D-carnitine [Term] -id: CHEBI:64535 -name: pseurotin A -is_a: CHEBI:24995 ! lactam -is_a: CHEBI:35624 ! azaspiro compound -is_a: CHEBI:37948 ! oxaspiro compound -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:86046 +name: 18-hydroxyoctadecanoate +is_a: CHEBI:140992 ! omega-hydroxy-long-chain fatty acid anion [Term] -id: CHEBI:64542 -name: naphtho-gamma-pyrone -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:86027 ! naphthopyran +id: CHEBI:86048 +name: 1-acyl-2-[(R)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:57643 ! 1,2-diacyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:64543 -name: fonsecin -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:59780 ! cyclic hemiketal -is_a: CHEBI:59872 ! heptaketide -is_a: CHEBI:64542 ! naphtho-gamma-pyrone -relationship: has_role CHEBI:76507 ! marine metabolite -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:86051 +name: O-octanoyl-D-carnitine +is_a: CHEBI:73039 ! O-octanoylcarnitine +is_a: CHEBI:86043 ! O-acyl-D-carnitine [Term] -id: CHEBI:64545 -name: fumiquinazoline -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38166 ! organic heteropolycyclic compound -is_a: CHEBI:38958 ! indole alkaloid +id: CHEBI:86053 +name: 18-hydroxyoleoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85212 ! omega-hydroxy fatty acyl-CoA [Term] -id: CHEBI:64546 -name: fumiquinazoline A -is_a: CHEBI:64545 ! fumiquinazoline -is_a: CHEBI:64547 ! imidazoindole -is_a: CHEBI:64548 ! pyrazinoquinazoline +id: CHEBI:86055 +name: ethyl hexanoate +is_a: CHEBI:78206 ! fatty acid ethyl ester +is_a: CHEBI:87656 ! hexanoate ester +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:64547 -name: imidazoindole -is_a: CHEBI:26979 ! organic heterotricyclic compound +id: CHEBI:86062 +name: abietatriene +is_a: CHEBI:35190 ! diterpene +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:64548 -name: pyrazinoquinazoline -is_a: CHEBI:26979 ! organic heterotricyclic compound +id: CHEBI:86066 +name: O-tetradecenoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:64550 -name: fumiquinazoline F -is_a: CHEBI:24828 ! indoles -is_a: CHEBI:64545 ! fumiquinazoline -is_a: CHEBI:64548 ! pyrazinoquinazoline +id: CHEBI:86071 +name: caffeyl alcohol +is_a: CHEBI:18135 ! catechol +is_a: CHEBI:26004 ! phenylpropanoid [Term] -id: CHEBI:64551 -name: fumiquinazoline C -is_a: CHEBI:35624 ! azaspiro compound -is_a: CHEBI:37948 ! oxaspiro compound -is_a: CHEBI:52157 ! organic heteroheptacyclic compound -is_a: CHEBI:64545 ! fumiquinazoline -is_a: CHEBI:64547 ! imidazoindole +id: CHEBI:86074 +name: (24S,25)-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36864 ! 25-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64553 -name: tatiopterin(5-) -is_a: CHEBI:35754 ! tetracarboxylic acid anion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:86077 +name: O-butenoylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:64554 -name: tryptophan zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:86087 +name: 4beta,24S-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +is_a: CHEBI:62846 ! 4-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64555 -name: trans-p-coumaryl alcohol -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:28386 ! 4-hydroxycinnamyl alcohol -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:64477 ! monolignol +id: CHEBI:86094 +name: 1-tetradecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:66848 ! phosphatidylcholine 32:2 +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:64557 -name: trans-sinapyl alcohol -is_a: CHEBI:28813 ! sinapyl alcohol -relationship: has_role CHEBI:64477 ! monolignol +id: CHEBI:86096 +name: (25R)-3beta-hydroxycholest-5-en-26-al +is_a: CHEBI:84145 ! 3beta-hydroxycholest-5-en-26-al [Term] -id: CHEBI:64558 -name: methionine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:86098 +name: (25R)-3beta-hydroxycholest-5-en-26-oate +is_a: CHEBI:84146 ! 3beta-hydroxycholest-5-en-26-oate [Term] -id: CHEBI:6457 -name: lignin -is_a: CHEBI:26196 ! polyphenylpropanoid +id: CHEBI:86102 +name: 1-tetradecanoyl-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:64423 ! phosphatidylcholine 34:4 +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:64570 -name: EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor -is_a: CHEBI:76874 ! EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor +id: CHEBI:86110 +name: O-[S-(6Z)-hexadecenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:64571 -name: NMDA receptor agonist -is_a: CHEBI:50103 ! excitatory amino acid agonist +id: CHEBI:86113 +name: (25R)-4beta,26-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +is_a: CHEBI:62846 ! 4-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64577 -name: flour treatment agent -is_a: CHEBI:64047 ! food additive +id: CHEBI:86115 +name: (25R)-3beta,4beta-dihydroxycholest-5-en-26-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36884 ! 26-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +is_a: CHEBI:62846 ! 4-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64583 -name: sphingomyelin -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:35786 ! phosphosphingolipid -is_a: CHEBI:36700 ! phosphocholines -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:86116 +name: (25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-) +is_a: CHEBI:50160 ! steroid acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64584 -name: uremic toxin -is_a: CHEBI:27026 ! toxin +id: CHEBI:86119 +name: 1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:133631 ! 1-palmitoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:64588 -name: glycine transporter 1 inhibitor -is_a: CHEBI:85425 ! glycine transporter inhibitor +id: CHEBI:86120 +name: (11Z)-hexadec-11-enoyl-CoA(4-) +is_a: CHEBI:139572 ! hexadecenoyl-CoA(4-) [Term] -id: CHEBI:64589 -name: glycine receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:86121 +name: 1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:133631 ! 1-palmitoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine [Term] -id: CHEBI:64598 -name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one -is_a: CHEBI:23697 ! dichlorobenzene -is_a: CHEBI:25235 ! monomethoxybenzene -is_a: CHEBI:33572 ! resorcinols -is_a: CHEBI:64672 ! differentiation-inducing factor -relationship: has_role CHEBI:62488 ! signalling molecule -relationship: has_role CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:86122 +name: (10E,12Z)-hexadecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:64599 -name: 4-amino-3-isothiazolidinone -is_a: CHEBI:48891 ! thiazolidinone +id: CHEBI:86128 +name: 2-methyl-L-tryptophan +is_a: CHEBI:47994 ! L-tryptophan derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64600 -name: C21-steroid hormone -is_a: CHEBI:26764 ! steroid hormone -is_a: CHEBI:61313 ! C21-steroid +id: CHEBI:8613 +name: psilocin +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:48274 ! tryptamine alkaloid +is_a: CHEBI:50996 ! tertiary amino compound +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:35499 ! hallucinogen +relationship: has_role CHEBI:35941 ! serotonergic agonist +relationship: has_role CHEBI:49103 ! drug metabolite +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64602 -name: dermatan sulfate proteoglycan -is_a: CHEBI:37396 ! proteoglycan +id: CHEBI:86131 +name: 5alpha-cholesta-8,14-dien-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol [Term] -id: CHEBI:64603 -name: diadenosyl polyphosphate -is_a: CHEBI:47885 ! dinucleotide +id: CHEBI:86132 +name: (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:64604 -name: diphosphoinositol polyphosphate -is_a: CHEBI:24846 ! inositol phosphate +id: CHEBI:86133 +name: 1-[(9Z)-octadecenoyl]-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:64520 ! phosphatidylcholine 36:4 [Term] -id: CHEBI:64606 -name: Fe3S4 iron-sulfur cluster -is_a: CHEBI:30408 ! iron-sulfur cluster +id: CHEBI:86135 +name: (5Z,9Z,12Z,15Z)-octadecatetraenoic acid +is_a: CHEBI:37810 ! octadecatetraenoic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:64607 -name: Fe4S4 iron-sulfur cluster -is_a: CHEBI:30408 ! iron-sulfur cluster +id: CHEBI:86136 +name: (5Z,9Z,12Z)-octadecatrienoic acid +is_a: CHEBI:25633 ! octadecatrienoic acid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:64608 -name: GDP-fucose -is_a: CHEBI:21167 ! GDP-hexose +id: CHEBI:86137 +name: 1-hexadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:64504 ! phosphatidylcholine 36:5 [Term] -id: CHEBI:64609 -name: dinitrosyl-iron complex -is_a: CHEBI:33892 ! iron coordination entity +id: CHEBI:86139 +name: N-methyl-L-alpha-amino acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:64610 -name: tenocyclidine -is_a: CHEBI:26151 ! piperidines -is_a: CHEBI:26961 ! thiophenes +id: CHEBI:8614 +name: psilocybin +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:48274 ! tryptamine alkaloid is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:35337 ! central nervous system stimulant relationship: has_role CHEBI:35499 ! hallucinogen -relationship: has_role CHEBI:60643 ! NMDA receptor antagonist -relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:35941 ! serotonergic agonist +relationship: has_role CHEBI:50266 ! prodrug +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:64611 -name: ether lipid -is_a: CHEBI:18059 ! lipid -is_a: CHEBI:52575 ! alkylglycerol +id: CHEBI:86141 +name: (9Z,12E)-octadecadienoic acid +is_a: CHEBI:25627 ! octadecadienoic acid [Term] -id: CHEBI:64616 -name: apiogalacturonan -is_a: CHEBI:18154 ! polysaccharide +id: CHEBI:86142 +name: (9Z,12E)-hexadecadienoic acid +is_a: CHEBI:77524 ! hexadecadienoic acid [Term] -id: CHEBI:64618 -name: phosphagen -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:51143 ! nitrogen molecular entity -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:86143 +name: (14Z)-hexadecenoyl-CoA +is_a: CHEBI:24549 ! hexadecenoyl-CoA [Term] -id: CHEBI:64620 -name: purine ribonucleoside bisphosphate -is_a: CHEBI:61078 ! purine nucleoside bisphosphate -is_a: CHEBI:61079 ! ribonucleoside bisphosphate +id: CHEBI:86144 +name: (14E)-hexadecenoyl-CoA +is_a: CHEBI:24549 ! hexadecenoyl-CoA [Term] -id: CHEBI:64621 -name: quercetin O-glucoside -is_a: CHEBI:76424 ! quercetin O-glycoside +id: CHEBI:86145 +name: (7alpha,22R)-dihydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36863 ! 22-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol [Term] -id: CHEBI:64622 -name: reuteran -is_a: CHEBI:22385 ! alpha-D-glucan +id: CHEBI:86146 +name: (24S,25)-epoxy-7alpha-hydroxycholesterol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol [Term] -id: CHEBI:64623 -name: saturated monocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:86147 +name: (7Z,10Z)-hexadecadienoic acid +is_a: CHEBI:77524 ! hexadecadienoic acid [Term] -id: CHEBI:64624 -name: microcin B17 -is_a: CHEBI:64627 ! microcin -relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor +id: CHEBI:86148 +name: (8E,10E,12Z)-octadecatrienoic acid +is_a: CHEBI:36009 ! omega-6 fatty acid +is_a: CHEBI:61160 ! conjugated linolenic acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:64626 -name: teichuronic acid -is_a: CHEBI:60027 ! polymer +id: CHEBI:86160 +name: (2E)-pentenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:83324 ! pent-2-enoyl-CoA(4-) [Term] -id: CHEBI:64627 -name: microcin -is_a: CHEBI:25903 ! peptide antibiotic +id: CHEBI:86162 +name: 1-tetradecanoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine +is_a: CHEBI:66856 ! phosphatidylcholine 36:6 +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:64628 -name: somatostatin -is_a: CHEBI:24533 ! heterodetic cyclic peptide -is_a: CHEBI:25905 ! peptide hormone +id: CHEBI:86165 +name: (24S,25S)-cholest-5-en-3beta,24,26-triol +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:36865 ! 24-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:86226 +name: lipid IIA(2-) +is_a: CHEBI:60086 ! lipid A oxoanion + +[Term] +id: CHEBI:86234 +name: alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA(7-) +is_a: CHEBI:60373 ! lipid IVA oxoanion + +[Term] +id: CHEBI:86236 +name: alpha-Kdo-(2->8)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA(8-) +is_a: CHEBI:60373 ! lipid IVA oxoanion + +[Term] +id: CHEBI:86258 +name: uridine-5'-aldehyde +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:26440 ! pyrimidine nucleoside +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:86261 +name: (3S)-beta-leucine +is_a: CHEBI:72772 ! beta-leucine [Term] -id: CHEBI:64629 -name: 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine -is_a: CHEBI:35338 ! amphetamines -is_a: CHEBI:37142 ! organoiodine compound -is_a: CHEBI:51681 ! dimethoxybenzene +id: CHEBI:86262 +name: D-kynurenine +is_a: CHEBI:16733 ! D-alpha-amino acid +is_a: CHEBI:28683 ! kynurenine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64631 -name: indoleacetic acid conjugate -is_a: CHEBI:24828 ! indoles -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:86264 +name: rat metabolite +is_a: CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:64632 -name: indoleacetic acid amide conjugate -is_a: CHEBI:37622 ! carboxamide -is_a: CHEBI:64631 ! indoleacetic acid conjugate +id: CHEBI:86265 +name: N-(1,2-saturated acyl)sphinganine +is_a: CHEBI:31488 ! N-acylsphinganine [Term] -id: CHEBI:64633 -name: indoleacetic acid ester conjugate -is_a: CHEBI:46939 ! indolyl carboxylate ester -is_a: CHEBI:64631 ! indoleacetic acid conjugate +id: CHEBI:86266 +name: N-[(2R)-hydroxyacyl]sphinganine +is_a: CHEBI:83247 ! N-(2-hydroxyacyl)sphinganine [Term] -id: CHEBI:64634 -name: kaempferol O-glucoside -is_a: CHEBI:50018 ! glycosyloxyflavone +id: CHEBI:86273 +name: 4-hydroxylysine +is_a: CHEBI:86498 ! hydroxylysine [Term] -id: CHEBI:64637 -name: O-polysaccharide -is_a: CHEBI:65212 ! polysaccharide derivative +id: CHEBI:86274 +name: N-[(R)-2-hydroxyacyl]phytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine [Term] -id: CHEBI:64640 -name: hypusine residue -is_a: CHEBI:33710 ! alpha-amino-acid residue +id: CHEBI:86275 +name: N-(1,2-saturated acyl)phytosphingosine +is_a: CHEBI:31998 ! N-acylphytosphingosine [Term] -id: CHEBI:64641 -name: divalent inorganic cation -is_a: CHEBI:36915 ! inorganic cation +id: CHEBI:86284 +name: CMP-3-deoxy-beta-D-manno-octulosonic acid +is_a: CHEBI:20878 ! CMP-sugar [Term] -id: CHEBI:64645 -name: amyloid-beta -is_a: CHEBI:15841 ! polypeptide +id: CHEBI:86287 +name: GDP-N,N'-diacetylbacillosamine +is_a: CHEBI:21167 ! GDP-hexose +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64648 -name: enniatin -is_a: CHEBI:24995 ! lactam -is_a: CHEBI:35213 ! cyclodepsipeptide -is_a: CHEBI:63944 ! macrocyclic lactone -relationship: has_role CHEBI:24869 ! ionophore -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:86293 +name: 3,22-dioxochol-4-en-24-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:64668 -name: geranylgeranyl-chlorophyll a -is_a: CHEBI:28966 ! chlorophyll -is_a: CHEBI:33308 ! carboxylic ester +id: CHEBI:86294 +name: N-acyl-(4E,8E,10E)-sphinga-4,8,10-trienine +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:64670 -name: EC 1.8.1.9 (thioredoxin reductase) inhibitor -is_a: CHEBI:76869 ! EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor +id: CHEBI:86298 +name: O-[S-5-hexenoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:64672 -name: differentiation-inducing factor -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:51683 ! methoxybenzenes -is_a: CHEBI:76224 ! aromatic ketone -relationship: has_role CHEBI:35224 ! effector -relationship: has_role CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:86299 +name: O-[S-5-hexynoylpantetheine-4'-phosphoryl]serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:64673 -name: fumigaclavine C -is_a: CHEBI:23943 ! ergot alkaloid -is_a: CHEBI:47622 ! acetate ester +id: CHEBI:8630 +name: pterostilbene +is_a: CHEBI:36027 ! stilbenol +relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:25512 ! neurotransmitter +relationship: has_role CHEBI:35610 ! antineoplastic agent [Term] -id: CHEBI:64676 -name: CDP-N,N-dimethylethanolamine -is_a: CHEBI:25604 ! nucleotide-(amino alcohol)s -is_a: CHEBI:36711 ! phosphoethanolamine +id: CHEBI:86301 +name: 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:64677 -name: daunorubicin(1+) -is_a: CHEBI:64678 ! anthracycline cation +id: CHEBI:86305 +name: 3beta-hydroxychol-5-en-24-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:64678 -name: anthracycline cation -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:86308 +name: 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:64684 -name: 7-formamidino-7-deazaguanine(1+) -is_a: CHEBI:77718 ! carboxamidinium ion +id: CHEBI:86315 +name: methyl sulfide +is_a: CHEBI:16385 ! organic sulfide [Term] -id: CHEBI:64686 -name: 7-formamidino-7-deazaguanine -is_a: CHEBI:35359 ! carboxamidine -is_a: CHEBI:38670 ! pyrrolopyrimidine +id: CHEBI:86316 +name: 3beta-hydroxychola-5,22-dien-24-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:64694 -name: 3,4-dihydroxy-5-polyprenylbenzoate -is_a: CHEBI:36084 ! dihydroxybenzoate +id: CHEBI:86317 +name: 2-methyl-3-oxopalmitoyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:64702 -name: nucleotide-sulfate -is_a: CHEBI:25704 ! organic sulfate -is_a: CHEBI:36976 ! nucleotide +id: CHEBI:86319 +name: 25-hydroxyvitamin D2 +is_a: CHEBI:27300 ! vitamin D +is_a: CHEBI:36819 ! seco-ergostane +is_a: CHEBI:47042 ! hydroxycalciol +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64704 -name: aspyridone A -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:38183 ! pyridone -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:86320 +name: 1alpha,25-dihydroxyvitamin D2 +is_a: CHEBI:27300 ! vitamin D +is_a: CHEBI:36819 ! seco-ergostane +is_a: CHEBI:47042 ! hydroxycalciol +relationship: has_role CHEBI:50646 ! bone density conservation agent +relationship: has_role CHEBI:50733 ! nutraceutical +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64705 -name: aspyridone B -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:38183 ! pyridone -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:86321 +name: 3-hydroxyoctanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:64708 -name: one-carbon compound -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:86322 +name: alkaloid antibiotic +is_a: CHEBI:22315 ! alkaloid +relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] -id: CHEBI:64709 -name: organic acid -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:86323 +name: conazole antifungal agent +is_a: CHEBI:68452 ! azole +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:75282 ! ergosterol biosynthesis inhibitor [Term] -id: CHEBI:64711 -name: purine nucleotide-sugar -is_a: CHEBI:25609 ! nucleotide-sugar +id: CHEBI:86324 +name: quinolone antibiotic +is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic +relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] -id: CHEBI:64712 -name: trivalent inorganic cation -is_a: CHEBI:36915 ! inorganic cation +id: CHEBI:86327 +name: antifungal drug +is_a: CHEBI:23888 ! drug +is_a: CHEBI:35441 ! antiinfective agent +is_a: CHEBI:35718 ! antifungal agent [Term] -id: CHEBI:6472 -name: lincomycin -is_a: CHEBI:23007 ! carbohydrate-containing antibiotic -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:35275 ! S-glycosyl compound -is_a: CHEBI:46770 ! pyrrolidinecarboxamide -is_a: CHEBI:84186 ! L-proline derivative -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:86328 +name: antifungal agrochemical +is_a: CHEBI:24127 ! fungicide +is_a: CHEBI:25944 ! pesticide +is_a: CHEBI:33286 ! agrochemical [Term] -id: CHEBI:64744 -name: phytochelatin 2 -is_a: CHEBI:48545 ! pentapeptide -is_a: CHEBI:60836 ! phytochelatin +id: CHEBI:86338 +name: 3-hydroxydecanoyl-CoA +is_a: CHEBI:20060 ! 3-hydroxy fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:64745 -name: phytochelatin 3 -is_a: CHEBI:25676 ! oligopeptide -is_a: CHEBI:60836 ! phytochelatin +id: CHEBI:86339 +name: D-5-monosubstituted hydantoin +is_a: CHEBI:24628 ! imidazolidine-2,4-dione [Term] -id: CHEBI:64747 -name: phytochelatin 4 -is_a: CHEBI:25676 ! oligopeptide -is_a: CHEBI:60836 ! phytochelatin +id: CHEBI:86340 +name: L-5-monosubstituted hydantoin +is_a: CHEBI:24628 ! imidazolidine-2,4-dione [Term] -id: CHEBI:64763 -name: EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor -is_a: CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor +id: CHEBI:86359 +name: L-gluconic acid +is_a: CHEBI:24266 ! gluconic acid [Term] -id: CHEBI:64766 -name: cationic group -is_a: CHEBI:24433 ! group +id: CHEBI:86363 +name: 2-dehydro-L-gluconic acid +is_a: CHEBI:24967 ! ketogluconic acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:64767 -name: anionic group -is_a: CHEBI:24433 ! group +id: CHEBI:86375 +name: (11Z)-hexadec-11-enoyl-CoA +is_a: CHEBI:24549 ! hexadecenoyl-CoA [Term] -id: CHEBI:64769 -name: organic cationic group -is_a: CHEBI:64766 ! cationic group +id: CHEBI:86376 +name: (10E,12Z)-hexadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:64775 -name: organic anionic group -is_a: CHEBI:64767 ! anionic group +id: CHEBI:86377 +name: 5beta-dihydroepitestosterone +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:35342 ! 17alpha-hydroxy steroid +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64804 -name: sesquarterpene -is_a: CHEBI:35186 ! terpene +id: CHEBI:86378 +name: (25R)-3beta-hydroxycholest-5-en-26-oic acid +is_a: CHEBI:81014 ! 3beta-hydroxycholest-5-en-26-oic acid [Term] -id: CHEBI:64816 -name: doxorubicin(1+) -is_a: CHEBI:64678 ! anthracycline cation +id: CHEBI:86379 +name: alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA +is_a: CHEBI:25051 ! lipid As [Term] -id: CHEBI:64848 -name: N-acetyl-beta-muramate(1-) -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:8638 +name: (9Z,11E,13Z)-octadecatrienoic acid +is_a: CHEBI:38382 ! 9,11,13-octadecatrienoic acid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:64857 -name: cosmetic -is_a: CHEBI:33232 ! application +id: CHEBI:86381 +name: 5beta-dihydrocorticosterone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64876 -name: bacillithiol(1-) -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:86382 +name: alpha-Kdo-(2->8)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA +is_a: CHEBI:25051 ! lipid As [Term] -id: CHEBI:64909 -name: poison -is_a: CHEBI:24432 ! biological role +id: CHEBI:86384 +name: 5beta-dihydrodeoxycorticosterone +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64911 -name: antimitotic -is_a: CHEBI:52210 ! pharmacological role +id: CHEBI:86386 +name: 3-mercaptopropionate +is_a: CHEBI:78113 ! fatty acid anion 3:0 +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:64912 -name: antimycobacterial drug -is_a: CHEBI:36047 ! antibacterial drug +id: CHEBI:86389 +name: 5beta-dihydroaldosterone +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:35346 ! 11beta-hydroxy steroid +is_a: CHEBI:36885 ! 20-oxo steroid +is_a: CHEBI:36887 ! 18-oxo steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64915 -name: antiplasmodial drug -is_a: CHEBI:35442 ! antiparasitic agent -is_a: CHEBI:35820 ! antiprotozoal drug +id: CHEBI:86392 +name: 4-guanidinobutanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:64916 -name: inositol phosphoceramide(1-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:86394 +name: 5-aminopentanoate +is_a: CHEBI:61007 ! amino fatty acid anion [Term] -id: CHEBI:64921 -name: 3,4-dihydroxy-5-polyprenylbenzoic acid -is_a: CHEBI:22723 ! benzoic acids +id: CHEBI:86399 +name: (4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone +is_a: CHEBI:24693 ! hydroxycyclohexanone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64926 -name: serine protease inhibitor -is_a: CHEBI:37670 ! protease inhibitor +id: CHEBI:864 +name: (S)-2,3,4,5-tetrahydrodipicolinic acid +is_a: CHEBI:32976 ! 2,3,4,5-tetrahydrodipicolinic acid [Term] -id: CHEBI:64946 -name: anti-HIV agent -is_a: CHEBI:22587 ! antiviral agent +id: CHEBI:86400 +name: levodione +is_a: CHEBI:23482 ! cyclohexanones +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:64948 -name: pyrrolizidine alkaloid -is_a: CHEBI:22315 ! alkaloid +id: CHEBI:86401 +name: N-Acetyldemethylphosphinothricinate (2-) +is_a: CHEBI:50860 ! organic molecular entity [Term] -id: CHEBI:6495 -name: lipoprotein -is_a: CHEBI:33837 ! conjugated protein -is_a: CHEBI:39024 ! clathrate compound -relationship: has_part CHEBI:39015 ! apolipoprotein -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:86412 +name: 3-oxochol-4-en-24-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:64950 -name: pyrrolizidine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:86414 +name: 3-oxocholesta-4,24-dien-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:64952 -name: anti-HSV agent -is_a: CHEBI:22587 ! antiviral agent +id: CHEBI:86420 +name: imidazole antifungal agent +is_a: CHEBI:24780 ! imidazoles +relationship: has_role CHEBI:35718 ! antifungal agent [Term] -id: CHEBI:64953 -name: anti-HSV-1 agent -is_a: CHEBI:64952 ! anti-HSV agent +id: CHEBI:86421 +name: 2-nitrophenols +is_a: CHEBI:39362 ! mononitrophenol [Term] -id: CHEBI:64962 -name: glucobrassicin(1-) -is_a: CHEBI:24796 ! indolylmethylglucosinolate +id: CHEBI:86426 +name: triazole antifungal agent +is_a: CHEBI:35727 ! triazoles +relationship: has_role CHEBI:35718 ! antifungal agent [Term] -id: CHEBI:64964 -name: EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor -is_a: CHEBI:35856 ! lipoxygenase inhibitor -is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor +id: CHEBI:86433 +name: 4-hydroxybenzoyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride [Term] -id: CHEBI:6497 -name: lipoxin -is_a: CHEBI:61703 ! nonclassic icosanoid -relationship: has_role CHEBI:140399 ! specialised pro-resolving mediator +id: CHEBI:86434 +name: (25R)-3beta,4beta-dihydroxycholest-5-en-26-oic acid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +is_a: CHEBI:62846 ! 4-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:64973 -name: bicyclic nitroimidazole -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:35716 ! C-nitro compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:86435 +name: 4-hydroxybenzoyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:64974 -name: (-)-microperfuranone -is_a: CHEBI:50523 ! butenolide -is_a: CHEBI:59770 ! cyclic acetal -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:86457 +name: 2-hydroxybenzoyl-AMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride [Term] -id: CHEBI:64977 -name: cichorine -is_a: CHEBI:24897 ! isoindoles -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:25442 ! mycotoxin +id: CHEBI:86458 +name: 2-hydroxybenzoyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:6498 -name: lipoxin A4 -is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:6497 ! lipoxin -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:86459 +name: (R)-lipoyl-GMP +is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride +is_a: CHEBI:39192 ! dithiolanes +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:6499 -name: lipoxin B4 -is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:6497 ! lipoxin -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:86460 +name: (R)-lipoyl-GMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:64996 -name: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor -is_a: CHEBI:35856 ! lipoxygenase inhibitor -is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor +id: CHEBI:86462 +name: O-(S-2-hydroxybenzoylpantetheine-4'-phosphoryl)-L-serine residue +is_a: CHEBI:76241 ! O-(S-acylpantetheine-4'-phosphoryl)serine residue [Term] -id: CHEBI:64997 -name: mannosylinositol phosphorylceramide(1-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:86464 +name: O-(S-2-hydroxybenzoylpantetheine-4'-phosphoryl)-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:65001 -name: EC 3.1.1.3 (triacylglycerol lipase) inhibitor -is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor +id: CHEBI:86468 +name: dimethylarginine +is_a: CHEBI:22617 ! arginine derivative [Term] -id: CHEBI:65004 -name: (-)-secoisolariciresinol -is_a: CHEBI:67250 ! secoisolariciresinol -relationship: has_role CHEBI:35469 ! antidepressant -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76989 ! phytoestrogen +id: CHEBI:86469 +name: peptidoglycosaminoglycan +is_a: CHEBI:18085 ! glycosaminoglycan [Term] -id: CHEBI:65023 -name: anti-asthmatic agent -is_a: CHEBI:33232 ! application +id: CHEBI:86478 +name: antibiotic antifungal agent +is_a: CHEBI:33285 ! heteroorganic entity +relationship: has_role CHEBI:35718 ! antifungal agent [Term] -id: CHEBI:65028 -name: ribostamycin(4+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:86490 +name: C4-acylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine [Term] -id: CHEBI:65037 -name: miltiradiene -is_a: CHEBI:50072 ! abietadiene +id: CHEBI:86492 +name: C5-acylcarnitine +is_a: CHEBI:17387 ! O-acylcarnitine [Term] -id: CHEBI:65053 -name: EC 4.1.1.19 (arginine decarboxylase) inhibitor -is_a: CHEBI:76906 ! EC 4.1.1.* (carboxy-lyase) inhibitor +id: CHEBI:86494 +name: botanical anti-fungal agent +is_a: CHEBI:33285 ! heteroorganic entity +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:65056 -name: EC 3.1.3.11 (fructose-bisphosphatase) inhibitor -is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor +id: CHEBI:86496 +name: acetyl-L-ornithine +is_a: CHEBI:21368 ! L-ornithine derivative +is_a: CHEBI:21545 ! N-acetyl-L-amino acid [Term] -id: CHEBI:65057 -name: adenosine A1 receptor agonist -is_a: CHEBI:73311 ! adenosine receptor agonist +id: CHEBI:86497 +name: hydroxykynurenine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:48975 ! substituted aniline [Term] -id: CHEBI:65064 -name: EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor -is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor +id: CHEBI:86498 +name: hydroxylysine +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:53079 ! lysine derivative [Term] -id: CHEBI:65065 -name: EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor -is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor +id: CHEBI:86499 +name: monohydroxyproline +is_a: CHEBI:24662 ! hydroxy-amino acid +is_a: CHEBI:26273 ! proline derivative [Term] -id: CHEBI:65069 -name: 2-deoxystreptamine(2+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:86500 +name: N-myristoylglycinate +is_a: CHEBI:57670 ! N-acylglycinate [Term] -id: CHEBI:65076 -name: neamine(4+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:86506 +name: (9Z,12Z)-octadeca-9,12-dien-6-ynoic acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25380 ! acetylenic fatty acid +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:59202 ! straight-chain fatty acid [Term] -id: CHEBI:65077 -name: neomycin C(6+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:86508 +name: alpha-aminobutyrate +is_a: CHEBI:33558 ! alpha-amino-acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:65109 -name: butirosin -is_a: CHEBI:22479 ! amino cyclitol glycoside -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:86520 +name: (2R)-2-methyltetradecanoyl-CoA(4-) +is_a: CHEBI:57313 ! (2R)-2-methylacyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:65117 -name: CDP-N,N-dimethylethanolamine(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:86521 +name: (2S)-2-methyltetradecanoyl-CoA(4-) +is_a: CHEBI:57314 ! (2S)-2-methylacyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:65172 -name: ximelagatran -is_a: CHEBI:140325 ! secondary carboxamide -is_a: CHEBI:140326 ! tertiary carboxamide -is_a: CHEBI:23990 ! ethyl ester -is_a: CHEBI:37622 ! carboxamide -is_a: CHEBI:38777 ! azetidines -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:65234 ! amidoxime -relationship: has_role CHEBI:50249 ! anticoagulant -relationship: has_role CHEBI:50266 ! prodrug -relationship: has_role CHEBI:64926 ! serine protease inhibitor -relationship: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor +id: CHEBI:8653 +name: pyocyanine +is_a: CHEBI:35285 ! iminium betaine +is_a: CHEBI:39201 ! phenazines +relationship: has_role CHEBI:26130 ! biological pigment +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:72316 ! virulence factor +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:65173 -name: iloperidone -is_a: CHEBI:26151 ! piperidines -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:37143 ! organofluorine compound -is_a: CHEBI:50996 ! tertiary amino compound -is_a: CHEBI:51545 ! 1,2-benzoxazoles -is_a: CHEBI:51867 ! methyl ketone -is_a: CHEBI:63534 ! monoamine -is_a: CHEBI:76224 ! aromatic ketone -relationship: has_role CHEBI:48279 ! serotonergic antagonist -relationship: has_role CHEBI:48561 ! dopaminergic antagonist -relationship: has_role CHEBI:65191 ! second generation antipsychotic +id: CHEBI:86542 +name: 2-hydroxyhexanoic acid +is_a: CHEBI:24654 ! hydroxy fatty acid +relationship: has_role CHEBI:75767 ! animal metabolite [Term] -id: CHEBI:65180 -name: GDP(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:86543 +name: 2-hydroxyoctanoic acid +is_a: CHEBI:24654 ! hydroxy fatty acid [Term] -id: CHEBI:65190 -name: first generation antipsychotic -is_a: CHEBI:35476 ! antipsychotic agent +id: CHEBI:86570 +name: (5alpha)-cholestan-3beta-ol +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:50401 ! cholestanoid [Term] -id: CHEBI:65191 -name: second generation antipsychotic -is_a: CHEBI:35476 ! antipsychotic agent +id: CHEBI:86644 +name: Gibberellic acid +is_a: CHEBI:20858 ! C19-gibberellin +is_a: CHEBI:38305 ! gibberellin monocarboxylic acid [Term] -id: CHEBI:65207 -name: vascular endothelial growth factor receptor antagonist -is_a: CHEBI:48706 ! antagonist +id: CHEBI:8695 +name: quercetagetin +is_a: CHEBI:24561 ! hexahydroxyflavone +is_a: CHEBI:28802 ! flavonols +relationship: has_role CHEBI:22586 ! antioxidant +relationship: has_role CHEBI:22587 ! antiviral agent +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:86962 +name: veratryl glycerol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:51681 ! dimethoxybenzene [Term] -id: CHEBI:65212 -name: polysaccharide derivative -is_a: CHEBI:33694 ! biomacromolecule -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:86963 +name: veratrylglycerol beta-guaiacyl ether +is_a: CHEBI:23824 ! diol +is_a: CHEBI:51681 ! dimethoxybenzene [Term] -id: CHEBI:65228 -name: 3-hydroxyphenyl propanoate -is_a: CHEBI:33308 ! carboxylic ester -is_a: CHEBI:33853 ! phenols +id: CHEBI:86980 +name: diacylglycerol 36:1 +is_a: CHEBI:18035 ! diglyceride +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:65232 -name: EC 3.4.21.5 (thrombin) inhibitor -is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor +id: CHEBI:86982 +name: (2R)-2,6-dimethylheptanoyl-CoA(4-) +is_a: CHEBI:84847 ! 2,6-dimethylheptanoyl-CoA(4-) [Term] -id: CHEBI:65234 -name: amidoxime -is_a: CHEBI:2634 ! amidine +id: CHEBI:86983 +name: (2S)-2,6-dimethylheptanoyl-CoA(4-) +is_a: CHEBI:84847 ! 2,6-dimethylheptanoyl-CoA(4-) [Term] -id: CHEBI:65255 -name: food preservative -is_a: CHEBI:64047 ! food additive +id: CHEBI:86987 +name: diacylglycerol 36:0 +is_a: CHEBI:18035 ! diglyceride [Term] -id: CHEBI:65256 -name: antimicrobial food preservative -is_a: CHEBI:33281 ! antimicrobial agent -is_a: CHEBI:65255 ! food preservative +id: CHEBI:86990 +name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:83565 ! (trifluoromethyl)benzenes [Term] -id: CHEBI:65258 -name: L-pyrrolysinium -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:86991 +name: (R)-fluoxetine +is_a: CHEBI:86990 ! N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor [Term] -id: CHEBI:65259 -name: GABA antagonist -is_a: CHEBI:48706 ! antagonist -is_a: CHEBI:51374 ! GABA agent +id: CHEBI:86992 +name: (S)-fluoxetine +is_a: CHEBI:86990 ! N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine +relationship: has_role CHEBI:35469 ! antidepressant +relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor [Term] -id: CHEBI:65296 -name: primary ammonium ion +id: CHEBI:86993 +name: (R)-fluoxetine(1+) is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:65311 -name: corticotropin-releasing hormone -is_a: CHEBI:15841 ! polypeptide -is_a: CHEBI:25905 ! peptide hormone -is_a: CHEBI:33694 ! biomacromolecule -relationship: has_role CHEBI:25512 ! neurotransmitter +id: CHEBI:86994 +name: carboxyphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:65317 -name: 2'-deoxynucleoside 5'-monophosphate(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:86995 +name: (S)-fluoxetine(1+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:65318 -name: cyanophycin macromolecule -is_a: CHEBI:15841 ! polypeptide -is_a: CHEBI:33694 ! biomacromolecule -is_a: CHEBI:53224 ! poly(amide) macromolecule +id: CHEBI:86999 +name: 1-acyl-2-palmitoylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65321 -name: terpenoid indole alkaloid -is_a: CHEBI:38958 ! indole alkaloid +id: CHEBI:87000 +name: 1-acyl-2-[(7Z)-hexadec-7-enoyl]-glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65322 -name: hemiterpenoid indole alkaloid -is_a: CHEBI:65321 ! terpenoid indole alkaloid +id: CHEBI:87002 +name: 1-acyl-2-[(3E)-hexadec-3-enoyl]-glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65323 -name: monoterpenoid indole alkaloid -is_a: CHEBI:65321 ! terpenoid indole alkaloid +id: CHEBI:87003 +name: 1-acyl-2-palmitoleoylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65327 -name: D-xylose -is_a: CHEBI:18222 ! xylose +id: CHEBI:87007 +name: 1-stearoyl 2-acylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65328 -name: L-xylose -is_a: CHEBI:18222 ! xylose +id: CHEBI:87008 +name: 1-oleoyl-2-acylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65331 -name: alkyl caffeate ester -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:36087 ! cinnamate ester +id: CHEBI:87010 +name: 1-linoleoyl-2-acylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65335 -name: 3-deoxy-D-manno-octulosonate -is_a: CHEBI:33721 ! carbohydrate acid anion +id: CHEBI:87017 +name: 1-gamma-linolenoyl 2-acylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:90081 ! gamma-linolenoyl-containing glycerolipid [Term] -id: CHEBI:65340 -name: 5-formyltetrahydrofolate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion +id: CHEBI:87023 +name: 1-alpha-linolenoyl 2-acylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:90078 ! alpha-linolenoyl-containing glycerolipid [Term] -id: CHEBI:65341 -name: 5-HETE(1-) -is_a: CHEBI:131858 ! HETE anion +id: CHEBI:87024 +name: 1-[(6Z,9Z,12Z,15Z)-octadec-6,9,12,15-tetraenoyl]-2-acylglycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:65342 -name: 5-oxo-ETE(1-) -is_a: CHEBI:131859 ! oxo-ETE anion -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:59836 ! oxo fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:87033 +name: N-acyl-(4E,8E)-9-methylsphinga-4,8-dienine +is_a: CHEBI:17761 ! ceramide [Term] -id: CHEBI:65352 -name: achromobactin free acid -is_a: CHEBI:35742 ! tetracarboxylic acid -relationship: has_role CHEBI:26672 ! siderophore +id: CHEBI:87034 +name: aromatic fungicide +is_a: CHEBI:33659 ! organic aromatic compound +relationship: has_role CHEBI:24127 ! fungicide [Term] -id: CHEBI:65932 -name: funalenone -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:51689 ! enone -is_a: CHEBI:51959 ! organic tricyclic compound -relationship: has_role CHEBI:67189 ! EC 3.4.24.3 (microbial collagenase) inhibitor -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:87036 +name: benzimidazole fungicide +is_a: CHEBI:22715 ! benzimidazoles +relationship: has_role CHEBI:24127 ! fungicide [Term] -id: CHEBI:6650 -name: malic acid -is_a: CHEBI:50263 ! 2-hydroxydicarboxylic acid -is_a: CHEBI:66873 ! C4-dicarboxylic acid -relationship: has_role CHEBI:64049 ! food acidity regulator -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:87044 +name: 4,4-dimethyl-5alpha-cholest-8-en-3beta-ol +is_a: CHEBI:26893 ! tetracyclic triterpenoid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:66873 -name: C4-dicarboxylic acid -is_a: CHEBI:35692 ! dicarboxylic acid +id: CHEBI:87045 +name: 4alpha-hydroxymethyl-4beta-methyl-5alpha-8-cholesten-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66874 -name: carnosinate -is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +id: CHEBI:87046 +name: 4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66884 -name: N-alkylglycine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:87047 +name: 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate +is_a: CHEBI:50160 ! steroid acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66916 -name: alanine zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:87048 +name: palmitoyllipid A(4-) +is_a: CHEBI:60086 ! lipid A oxoanion [Term] -id: CHEBI:66922 -name: citrullinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:87049 +name: lipid IVB(4-) +is_a: CHEBI:60373 ! lipid IVA oxoanion [Term] -id: CHEBI:66924 -name: creatinate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:87050 +name: 4alpha-methyl-5alpha-cholest-8-en-3-one +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66933 -name: N-alkylglycine -is_a: CHEBI:24373 ! glycine derivative -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:87051 +name: 4alpha-methyl-5alpha-cholest-8-en-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66934 -name: cyanoamino acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:87053 +name: 4alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66938 -name: keto-D-gluconic acid -is_a: CHEBI:24967 ! ketogluconic acid +id: CHEBI:87054 +name: 4alpha-formyl-5alpha-cholest-8-en-3beta-ol +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66940 -name: fructosylglycinate -is_a: CHEBI:63790 ! glyco-amino-acid anion +id: CHEBI:87055 +name: 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate +is_a: CHEBI:50160 ! steroid acid anion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:66941 -name: ecgononium methyl ester(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87056 +name: 5alpha-cholest-8-en-3-one +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50401 ! cholestanoid [Term] -id: CHEBI:66950 -name: olivetolate -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:87058 +name: lipid IIB(2-) +is_a: CHEBI:60086 ! lipid A oxoanion [Term] -id: CHEBI:66952 -name: homocysteinate -is_a: CHEBI:33558 ! alpha-amino-acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:87061 +name: carbamate fungicide +is_a: CHEBI:23003 ! carbamate ester +relationship: has_role CHEBI:24127 ! fungicide [Term] -id: CHEBI:66955 -name: olivetolic acid -is_a: CHEBI:22723 ! benzoic acids -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:33572 ! resorcinols -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:87064 +name: benzimidazolylcarbamate fungicide +is_a: CHEBI:22715 ! benzimidazoles +is_a: CHEBI:87061 ! carbamate fungicide +relationship: has_role CHEBI:24127 ! fungicide [Term] -id: CHEBI:66956 -name: antidyskinesia agent -is_a: CHEBI:23888 ! drug +id: CHEBI:87068 +name: imidazole fungicide +is_a: CHEBI:86420 ! imidazole antifungal agent +relationship: has_role CHEBI:24127 ! fungicide [Term] -id: CHEBI:66960 -name: olivetol -is_a: CHEBI:33572 ! resorcinols -relationship: has_role CHEBI:78361 ! lichen metabolite +id: CHEBI:87069 +name: imidazole antifungal drug +is_a: CHEBI:86420 ! imidazole antifungal agent +relationship: has_role CHEBI:86327 ! antifungal drug [Term] -id: CHEBI:66980 -name: nootropic agent -is_a: CHEBI:23888 ! drug +id: CHEBI:8707 +name: quetiapine +is_a: CHEBI:39268 ! dibenzothiazepine +is_a: CHEBI:46845 ! N-alkylpiperazine +is_a: CHEBI:46848 ! N-arylpiperazine +relationship: has_role CHEBI:37887 ! adrenergic antagonist +relationship: has_role CHEBI:37956 ! histamine antagonist +relationship: has_role CHEBI:48279 ! serotonergic antagonist +relationship: has_role CHEBI:48561 ! dopaminergic antagonist +relationship: has_role CHEBI:65191 ! second generation antipsychotic [Term] -id: CHEBI:66987 -name: radiation protective agent -is_a: CHEBI:50267 ! protective agent +id: CHEBI:87071 +name: conazole antifungal drug +is_a: CHEBI:68452 ! azole +is_a: CHEBI:86323 ! conazole antifungal agent +relationship: has_role CHEBI:86327 ! antifungal drug [Term] -id: CHEBI:66993 -name: tocolytic agent -is_a: CHEBI:50689 ! reproductive control drug +id: CHEBI:87075 +name: O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:66998 -name: histidinate derivative -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:87079 +name: N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:67001 -name: hypusinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:87080 +name: N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:67008 -name: kynureninate -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:87082 +name: 3-[beta-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol +is_a: CHEBI:63428 ! digalactosylglycerol derivative [Term] -id: CHEBI:67009 -name: S-adenosyl-L-homocysteinate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:87089 +name: 2-O-(alpha-D-glucosyl)-sn-glycerol 3-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:67010 -name: L-kynureninate -is_a: CHEBI:59814 ! L-alpha-amino acid anion -is_a: CHEBI:67008 ! kynureninate -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:87090 +name: (7R)-6-deoxy-D-manno-oct-7-ulosuronate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:67011 -name: folates -is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion +id: CHEBI:87091 +name: 8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:67012 -name: L-dopa(1-) -is_a: CHEBI:59814 ! L-alpha-amino acid anion -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:87095 +name: lipid A 1-(2-aminoethyl diphosphate)(3-) +is_a: CHEBI:134351 ! lipid A 1-(2-aminoethyl diphosphate) oxoanion +is_a: CHEBI:60086 ! lipid A oxoanion [Term] -id: CHEBI:67013 -name: methyl-branched fatty acid anion -is_a: CHEBI:58955 ! branched-chain fatty acid anion +id: CHEBI:87096 +name: lipid A 1,4'-bis(2-aminoethyl diphosphate)(3-) +is_a: CHEBI:60086 ! lipid A oxoanion [Term] -id: CHEBI:67014 -name: dihydrofolates -is_a: CHEBI:67011 ! folates +id: CHEBI:87097 +name: lipid A 4'-(2-aminoethyl diphosphate)(3-) +is_a: CHEBI:134350 ! lipid A 4'-(2-aminoethyl diphosphate) oxoanion [Term] -id: CHEBI:67015 -name: N(omega)-methyl-L-argininate -is_a: CHEBI:59814 ! L-alpha-amino acid anion +id: CHEBI:87101 +name: triazole antifungal drug +is_a: CHEBI:86426 ! triazole antifungal agent +relationship: has_role CHEBI:86327 ! antifungal drug [Term] -id: CHEBI:67016 -name: tetrahydrofolate -is_a: CHEBI:67011 ! folates +id: CHEBI:87107 +name: 7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA(6-) +is_a: CHEBI:60373 ! lipid IVA oxoanion [Term] -id: CHEBI:67022 -name: lipoxin anion +id: CHEBI:87109 +name: juvenile hormone I carboxylate +is_a: CHEBI:58955 ! branched-chain fatty acid anion is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:67026 -name: lipoxin A4(1-) -is_a: CHEBI:59835 ! hydroxy fatty acid anion -is_a: CHEBI:67022 ! lipoxin anion +id: CHEBI:87113 +name: antibiotic antifungal drug +is_a: CHEBI:86478 ! antibiotic antifungal agent +relationship: has_role CHEBI:86327 ! antifungal drug [Term] -id: CHEBI:67031 -name: lipoxin B4(1-) -is_a: CHEBI:59835 ! hydroxy fatty acid anion -is_a: CHEBI:67022 ! lipoxin anion +id: CHEBI:87114 +name: antibiotic fungicide +is_a: CHEBI:86478 ! antibiotic antifungal agent +relationship: has_role CHEBI:24127 ! fungicide [Term] -id: CHEBI:67036 -name: O-(N-acetylglucosamine-1-phosphonatooxy)-L-serine(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:87119 +name: (R)-2-hydroxy-4-methylpentanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:67037 -name: D-octopine(1-) -is_a: CHEBI:60895 ! D-alpha-amino acid anion +id: CHEBI:87120 +name: 4-methylpent-2-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:67039 -name: prenylcysteinate -is_a: CHEBI:63470 ! sulfur-containing amino-acid anion +id: CHEBI:87121 +name: bisanhydrobacterioruberin +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:87165 ! C50 carotenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:67040 -name: S-adenosyl-L-methioninate -is_a: CHEBI:35282 ! sulfonium betaine -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:87122 +name: monoanhydrobacterioruberin +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:27136 ! triol +is_a: CHEBI:87165 ! C50 carotenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:67049 -name: N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+) -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:87123 +name: tulipalin B +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:51702 ! enoate ester +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:67050 -name: S-methyl-L-methioninate -is_a: CHEBI:25268 ! methyl-L-methionine -is_a: CHEBI:35282 ! sulfonium betaine +id: CHEBI:87124 +name: 6-tuliposide B +is_a: CHEBI:51702 ! enoate ester +is_a: CHEBI:59475 ! 6-O-acyl-D-glucose +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:67051 -name: phosphopantetheine anion +id: CHEBI:87125 +name: 5-epi-valiolone 7-phosphate(2-) is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:67052 -name: glyphosate(2-) +id: CHEBI:87131 +name: O-(S-L-2-amino-6-adipoylpantetheine-4'-phosphoryl)-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue + +[Term] +id: CHEBI:87133 +name: 7-methyl-GTP(3-) is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:67062 -name: lipo-chitin oligosaccharide -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:87136 +name: trans-caffeoyl-CoA(4-) +is_a: CHEBI:57372 ! caffeoyl-CoA(4-) [Term] -id: CHEBI:67063 -name: poly-beta-1,6-N-acetyl-D-glucosamine -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:87137 +name: dihydrocaffeoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:67072 -name: cannabinoid receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:87139 +name: 3-oxochol-4-en-24-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:67079 -name: anti-inflammatory agent -is_a: CHEBI:33232 ! application +id: CHEBI:87141 +name: 3-oxocholesta-4,24-dien-26-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA [Term] -id: CHEBI:67114 -name: ryanodine receptor agonist -is_a: CHEBI:38809 ! ryanodine receptor modulator +id: CHEBI:87142 +name: N-myristoylglycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:67115 -name: ecgonone methyl ester -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:37332 ! tropane alkaloid -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:50996 ! tertiary amino compound +id: CHEBI:87161 +name: dihydrobisanhydrobacterioruberin +is_a: CHEBI:23824 ! diol +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:87165 ! C50 carotenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:67140 -name: phosphate monoester dianion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:87162 +name: isopentenyldehydrorhodopin +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:87168 ! C45 carotenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:67142 -name: nucleobase analogue -is_a: CHEBI:33832 ! organic cyclic compound +id: CHEBI:87163 +name: dihydroisopentenyldehydrorhodopin +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:87168 ! C45 carotenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:67147 -name: fumigaclavine C(1+) +id: CHEBI:87164 +name: 6-hydroxy-N-methylmyosmine(1+) is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:67148 -name: 2-hydroxybenzoyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) +id: CHEBI:87165 +name: C50 carotenoid +is_a: CHEBI:26207 ! polyterpenoid [Term] -id: CHEBI:67153 -name: (+)-larreatricin -is_a: CHEBI:25036 ! lignan -is_a: CHEBI:26912 ! oxolanes -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:22587 ! antiviral agent -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:87167 +name: S-[(2E,6E)-farnesyl]-L-cysteine methyl ester +is_a: CHEBI:46874 ! alpha-amino acid ester +is_a: CHEBI:83824 ! L-cysteine derivative [Term] -id: CHEBI:67154 -name: (+)-3'-hydroxylarreatricin -is_a: CHEBI:25036 ! lignan -is_a: CHEBI:26912 ! oxolanes -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:87168 +name: C45 carotenoid +is_a: CHEBI:26207 ! polyterpenoid [Term] -id: CHEBI:67189 -name: EC 3.4.24.3 (microbial collagenase) inhibitor -is_a: CHEBI:59107 ! EC 3.4.24.* (metalloendopeptidase) inhibitor +id: CHEBI:87169 +name: S-sulfo-L-cysteine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:67194 -name: cannabinoid -is_a: CHEBI:36963 ! organooxygen compound -relationship: has_role CHEBI:67072 ! cannabinoid receptor agonist +id: CHEBI:87170 +name: 2-thiouridine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:67195 -name: gap junctional intercellular communication inhibitor -is_a: CHEBI:35222 ! inhibitor +id: CHEBI:87171 +name: 5-taurinomethyl-2-thiouridine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group +relationship: has_part CHEBI:139020 ! taurino group [Term] -id: CHEBI:67198 -name: retinoic acid receptor agonist -is_a: CHEBI:48705 ! agonist -is_a: CHEBI:90708 ! retinoic acid receptor modulator +id: CHEBI:87172 +name: 5-taurinomethyluridine 5'-phosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group +relationship: has_part CHEBI:139020 ! taurino group [Term] -id: CHEBI:67199 -name: AP-1 antagonist -is_a: CHEBI:48706 ! antagonist +id: CHEBI:87173 +name: (2R)-2-methyltetradecanoyl-CoA +is_a: CHEBI:15450 ! (2R)-2-methylacyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:67200 -name: provitamin A -is_a: CHEBI:50188 ! provitamin +id: CHEBI:87181 +name: (2R)-2,6-dimethylheptanoyl-CoA +is_a: CHEBI:85504 ! 2,6-dimethylheptanoyl-CoA [Term] -id: CHEBI:67201 -name: synthetic cannabinoid -is_a: CHEBI:67194 ! cannabinoid +id: CHEBI:87182 +name: (2S)-2,6-dimethylheptanoyl-CoA +is_a: CHEBI:85504 ! 2,6-dimethylheptanoyl-CoA [Term] -id: CHEBI:67208 -name: double-stranded RNA -is_a: CHEBI:33697 ! ribonucleic acid +id: CHEBI:87195 +name: dicarboximide fungicide +is_a: CHEBI:87200 ! dicarboximide antifungal agent +relationship: has_role CHEBI:24127 ! fungicide [Term] -id: CHEBI:67239 -name: EC 3.2.1.20 (alpha-glucosidase) inhibitor -is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor +id: CHEBI:87197 +name: dichlorophenyl dicarboximide fungicide +is_a: CHEBI:23697 ! dichlorobenzene +is_a: CHEBI:87195 ! dicarboximide fungicide + +[Term] +id: CHEBI:87200 +name: dicarboximide antifungal agent +is_a: CHEBI:35356 ! dicarboximide +relationship: has_role CHEBI:35718 ! antifungal agent + +[Term] +id: CHEBI:87215 +name: N-terminal 5-oxo-L-proline residue +is_a: CHEBI:33715 ! N-terminal alpha-amino-acid residue + +[Term] +id: CHEBI:87228 +name: sulfonamide antibiotic +is_a: CHEBI:35358 ! sulfonamide +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:87230 +name: nitrofuran antibiotic +is_a: CHEBI:24129 ! furans +is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic +is_a: CHEBI:25807 ! organooxygen heterocyclic antibiotic +is_a: CHEBI:35716 ! C-nitro compound +relationship: has_role CHEBI:33281 ! antimicrobial agent + +[Term] +id: CHEBI:87242 +name: palmitoyllipid A +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:25835 ! hexadecanoate ester +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:67244 -name: (-)-lariciresinol -is_a: CHEBI:25036 ! lignan -is_a: CHEBI:26912 ! oxolanes -is_a: CHEBI:33853 ! phenols +id: CHEBI:87245 +name: lipid IIB +is_a: CHEBI:25051 ! lipid As [Term] -id: CHEBI:67245 -name: (-)-pinoresinol -is_a: CHEBI:8225 ! pinoresinol -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:87251 +name: monoacylglycerol 16:0 +is_a: CHEBI:17408 ! monoglyceride +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:67246 -name: (+)-lariciresinol -is_a: CHEBI:15734 ! primary alcohol -is_a: CHEBI:25036 ! lignan -is_a: CHEBI:26912 ! oxolanes -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:87255 +name: monoacylglycerol 18:0 +is_a: CHEBI:17408 ! monoglyceride +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:67247 -name: (+)-secoisolariciresinol -is_a: CHEBI:67250 ! secoisolariciresinol +id: CHEBI:87256 +name: monoacylglycerol 18:1 +is_a: CHEBI:17408 ! monoglyceride +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:67250 -name: secoisolariciresinol -is_a: CHEBI:22944 ! butanediols -is_a: CHEBI:25036 ! lignan -is_a: CHEBI:26195 ! polyphenol +id: CHEBI:87257 +name: monoacylglycerol 18:2 +is_a: CHEBI:17408 ! monoglyceride +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:67265 -name: beta-diketone -is_a: CHEBI:46640 ! diketone +id: CHEBI:87259 +name: (E)-2-methylpentadec-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61912 ! branched-chain fatty acyl-CoA [Term] -id: CHEBI:67273 -name: monohydroxy-1,4-benzoquinones -is_a: CHEBI:132124 ! 1,4-benzoquinones -is_a: CHEBI:33823 ! enol -is_a: CHEBI:71648 ! hydroxybenzoquinone +id: CHEBI:87260 +name: O-[N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-serine +is_a: CHEBI:21957 ! O-glycosyl-L-serine +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:6801 -name: metformin -is_a: CHEBI:24436 ! guanidines -relationship: has_role CHEBI:35526 ! hypoglycemic agent -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:87277 +name: 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:6809 -name: methamphetamine -is_a: CHEBI:32863 ! secondary amine -is_a: CHEBI:35338 ! amphetamines -relationship: has_role CHEBI:35337 ! central nervous system stimulant -relationship: has_role CHEBI:35471 ! psychotropic drug -relationship: has_role CHEBI:35703 ! xenobiotic -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:78298 ! environmental contaminant +id: CHEBI:87287 +name: 4beta-methylzymosterol-4-carbaldehyde +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:68452 -name: azole -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound -is_a: CHEBI:38179 ! monocyclic heteroarene +id: CHEBI:87289 +name: 4alpha-hydroxymethyl-4beta-methylzymosterol +is_a: CHEBI:23824 ! diol +is_a: CHEBI:35348 ! 3beta-sterol +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:68472 -name: pyrimidine deoxyribonucleoside -is_a: CHEBI:23636 ! deoxyribonucleoside -is_a: CHEBI:26440 ! pyrimidine nucleoside +id: CHEBI:87293 +name: 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:68481 -name: mTOR inhibitor -is_a: CHEBI:37699 ! protein kinase inhibitor +id: CHEBI:87300 +name: 2-O-(alpha-D-glucosyl)-sn-glycerol 3-phosphate +is_a: CHEBI:24286 ! glucosylglycerol phosphate [Term] -id: CHEBI:68487 -name: strigolactone -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:37667 ! sesquiterpene lactone -is_a: CHEBI:50523 ! butenolide -relationship: has_role CHEBI:37848 ! plant hormone +id: CHEBI:87305 +name: trans-feruloyl-CoA(4-) +is_a: CHEBI:57276 ! feruloyl-CoA(4-) [Term] -id: CHEBI:68489 -name: alkyl,acyl-sn-glycero-3-phosphocholine -is_a: CHEBI:36313 ! glycerophosphocholine -is_a: CHEBI:78189 ! alkylacylglycero-3-phosphocholine +id: CHEBI:87306 +name: (7R)-6-deoxy-D-manno-oct-7-ulosuronic acid +is_a: CHEBI:17478 ! aldehyde +is_a: CHEBI:24963 ! ketoaldonic acid [Term] -id: CHEBI:68494 -name: apoptosis inhibitor -is_a: CHEBI:35222 ! inhibitor -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:87313 +name: 8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid +is_a: CHEBI:60926 ! amino monosaccharide +is_a: CHEBI:63436 ! carbohydrate acid derivative [Term] -id: CHEBI:68495 -name: apoptosis inducer -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:87331 +name: 17beta-hydroxy-5beta-androst-1-en-3-one +is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:68508 -name: diethyl maleate -is_a: CHEBI:23990 ! ethyl ester -is_a: CHEBI:35486 ! maleate ester -relationship: has_role CHEBI:68509 ! glutathione depleting agent +id: CHEBI:87333 +name: 17beta-hydroxy-5beta-estran-3-one +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:68509 -name: glutathione depleting agent -is_a: CHEBI:24432 ! biological role +id: CHEBI:87339 +name: lipid A 1-(2-aminoethyl diphosphate) +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:68563 -name: P2Y12 receptor antagonist -is_a: CHEBI:91079 ! purinergic receptor P2 antagonist +id: CHEBI:87356 +name: (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-decaprenyl diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:68624 -name: cis-abienol -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:36770 ! labdane diterpenoid +id: CHEBI:87362 +name: pentyl acetate +is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:68658 -name: (+)-epi-alpha-bisabolol -is_a: CHEBI:26658 ! sesquiterpenoid +id: CHEBI:87373 +name: pentyl propanoate +is_a: CHEBI:36243 ! propanoate ester +relationship: has_role CHEBI:76946 ! fungal metabolite [Term] -id: CHEBI:68671 -name: CMP-N-acyl-beta-neuraminate(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:87391 +name: N-icosanoylglycinate +is_a: CHEBI:57670 ! N-acylglycinate [Term] -id: CHEBI:68837 -name: pectate -is_a: CHEBI:61469 ! polyanionic polymer -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:87410 +name: N-docosanoylglycinate +is_a: CHEBI:57670 ! N-acylglycinate [Term] -id: CHEBI:68851 -name: poly(glycerol phosphate) anion -is_a: CHEBI:58945 ! organophosphate oxoanion -is_a: CHEBI:61469 ! polyanionic polymer -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:87414 +name: N-hexacosanoylglycinate +is_a: CHEBI:57670 ! N-acylglycinate [Term] -id: CHEBI:6887 -name: methylphenidate -is_a: CHEBI:60911 ! racemate -relationship: has_part CHEBI:51857 ! methyl (S)-phenyl[(S)-piperidin-2-yl]acetate -relationship: has_part CHEBI:51860 ! dexmethylphenidate -relationship: has_role CHEBI:35337 ! central nervous system stimulant -relationship: has_role CHEBI:35471 ! psychotropic drug -relationship: has_role CHEBI:35524 ! sympathomimetic agent -relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor -relationship: has_role CHEBI:37962 ! adrenergic agent -relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor +id: CHEBI:87415 +name: 7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA +is_a: CHEBI:25051 ! lipid As [Term] -id: CHEBI:69136 -name: latrunculin A -is_a: CHEBI:25106 ! macrolide -is_a: CHEBI:46733 ! oxabicycloalkane -is_a: CHEBI:48891 ! thiazolidinone -is_a: CHEBI:59780 ! cyclic hemiketal -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:27026 ! toxin -relationship: has_role CHEBI:70728 ! actin polymerisation inhibitor +id: CHEBI:87420 +name: lipid A 4'-(2-aminoethyl diphosphate) +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87659 ! dodecanoate ester +is_a: CHEBI:87691 ! tetradecanoate ester [Term] -id: CHEBI:6923 -name: miconazole -is_a: CHEBI:60911 ! racemate -is_a: CHEBI:87069 ! imidazole antifungal drug -is_a: CHEBI:87071 ! conazole antifungal drug -relationship: has_part CHEBI:82894 ! (R)-miconazole -relationship: has_part CHEBI:82897 ! (S)-miconazole -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:75282 ! ergosterol biosynthesis inhibitor -relationship: has_role CHEBI:82891 ! glucocorticoid receptor antagonist +id: CHEBI:87424 +name: lipid A 1,4'-bis(2-aminoethyl diphosphate) +is_a: CHEBI:25051 ! lipid As +is_a: CHEBI:87691 ! tetradecanoate ester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:69403 -name: carbonarone A -is_a: CHEBI:131906 ! 4-pyranones -is_a: CHEBI:29347 ! monocarboxylic acid amide -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:87425 +name: juvenile hormone I acid +is_a: CHEBI:24943 ! juvenile hormone +is_a: CHEBI:26208 ! polyunsaturated fatty acid +is_a: CHEBI:35819 ! branched-chain fatty acid +is_a: CHEBI:53339 ! olefinic fatty acid +is_a: CHEBI:61498 ! epoxy fatty acid [Term] -id: CHEBI:69404 -name: pestalamide A -is_a: CHEBI:131906 ! 4-pyranones -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:35356 ! dicarboximide -relationship: has_role CHEBI:76956 ! Aspergillus metabolite +id: CHEBI:87433 +name: (R)-2-hydroxy-4-methylpentanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA [Term] -id: CHEBI:7027 -name: 2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose -is_a: CHEBI:28118 ! muramic acid +id: CHEBI:87435 +name: 11-cis-retinoate +is_a: CHEBI:15036 ! retinoate [Term] -id: CHEBI:70709 -name: progesterone receptor agonist -is_a: CHEBI:51060 ! hormone agonist +id: CHEBI:87436 +name: 4-methylpent-2-enoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15469 ! alk-2-enoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61905 ! short-chain fatty acyl-CoA [Term] -id: CHEBI:70723 -name: reversine -is_a: CHEBI:26401 ! purines -is_a: CHEBI:38785 ! morpholines -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:70724 ! cell dedifferentiation agent -relationship: has_role CHEBI:70725 ! adenosine A3 receptor antagonist -relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor +id: CHEBI:87438 +name: lithocholyl-CoA(4-) +is_a: CHEBI:138842 ! 3alpha-hydroxy bile acid CoA thioester(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:70724 -name: cell dedifferentiation agent -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:87447 +name: 5-epi-valiolone 7-phosphate +is_a: CHEBI:23451 ! cyclitol +is_a: CHEBI:36132 ! alicyclic ketone +is_a: CHEBI:7794 ! phosphate monoester +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:70725 -name: adenosine A3 receptor antagonist -is_a: CHEBI:71232 ! adenosine receptor antagonist +id: CHEBI:87449 +name: trans-caffeoyl-CoA +is_a: CHEBI:15518 ! caffeoyl-CoA [Term] -id: CHEBI:70726 -name: hesperadin -is_a: CHEBI:26151 ! piperidines -is_a: CHEBI:35358 ! sulfonamide -is_a: CHEBI:38459 ! oxindoles -is_a: CHEBI:47989 ! enamine -is_a: CHEBI:50996 ! tertiary amino compound -relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor +id: CHEBI:87451 +name: dihydrocaffeoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA +is_a: CHEBI:48400 ! 3-(3,4-dihydroxyphenyl)propanoic acid [Term] -id: CHEBI:70727 -name: topoisomerase inhibitor -is_a: CHEBI:76830 ! EC 5.99.1.* (miscellaneous isomerase) inhibitor +id: CHEBI:87460 +name: 6-hydroxy-N-methylmyosmine +is_a: CHEBI:23763 ! pyrroline +is_a: CHEBI:38182 ! monohydroxypyridine +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:70728 -name: actin polymerisation inhibitor -is_a: CHEBI:35222 ! inhibitor +id: CHEBI:87467 +name: prenyl-FMNH2(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:70770 -name: Aurora kinase inhibitor -is_a: CHEBI:37699 ! protein kinase inhibitor +id: CHEBI:87474 +name: (R)-2-hydroxybutanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:70773 -name: capsazepine -is_a: CHEBI:33566 ! catechols -is_a: CHEBI:35676 ! benzazepine -is_a: CHEBI:51276 ! thioureas -is_a: CHEBI:83403 ! monochlorobenzenes -relationship: has_role CHEBI:70774 ! capsaicin receptor antagonist +id: CHEBI:87475 +name: (R)-2-hydroxybutanoyl-CoA +is_a: CHEBI:139303 ! 2-hydroxybutanoyl-CoA [Term] -id: CHEBI:70774 -name: capsaicin receptor antagonist -is_a: CHEBI:48706 ! antagonist +id: CHEBI:87476 +name: (25R)-7alpha,26-dihydroxycholest-4-en-3-one +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:47788 ! 3-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:70778 -name: GW 7647 -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:35683 ! aryl sulfide -is_a: CHEBI:47857 ! ureas -relationship: has_role CHEBI:70782 ! PPARalpha agonist +id: CHEBI:87487 +name: short-chain 3-substituted propanoyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) [Term] -id: CHEBI:70781 -name: PPAR modulator -is_a: CHEBI:52210 ! pharmacological role +id: CHEBI:87488 +name: short-chain 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) [Term] -id: CHEBI:70782 -name: PPARalpha agonist -is_a: CHEBI:48705 ! agonist -is_a: CHEBI:70781 ! PPAR modulator +id: CHEBI:87491 +name: (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate +is_a: CHEBI:27092 ! tricarboxylic acid trianion [Term] -id: CHEBI:70790 -name: pentalenolactone(1-) -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:87504 +name: (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate +is_a: CHEBI:133492 ! polyunsaturated dicarboxylic acid dianion [Term] -id: CHEBI:70813 -name: glutamine derivative -is_a: CHEBI:24315 ! glutamic acid derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:87507 +name: (4Z)-2-oxohept-4-enedioate +is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] -id: CHEBI:70816 -name: pentalenolactone -is_a: CHEBI:133131 ! spiro-epoxide -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:37667 ! sesquiterpene lactone -is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:70817 ! EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:87509 +name: (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid +is_a: CHEBI:27093 ! tricarboxylic acid [Term] -id: CHEBI:70817 -name: EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor -is_a: CHEBI:76852 ! EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor +id: CHEBI:87518 +name: ADP(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:70826 -name: isopentadecanoate -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:58953 ! saturated fatty acid anion -is_a: CHEBI:67013 ! methyl-branched fatty acid anion -is_a: CHEBI:78122 ! fatty acid anion 15:0 +id: CHEBI:87522 +name: (S)-4-hydroxy-2-oxoheptanedioate +is_a: CHEBI:73036 ! 4-hydroxy-2-oxoheptanedioate [Term] -id: CHEBI:70868 -name: antileishmanial agent -is_a: CHEBI:35820 ! antiprotozoal drug +id: CHEBI:87531 +name: prenyl-FMNH2 +is_a: CHEBI:24041 ! flavin mononucleotide +is_a: CHEBI:38163 ! organic heterotetracyclic compound +relationship: has_role CHEBI:23357 ! cofactor +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:70977 -name: alkane-alpha,omega-diammonium(2+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87538 +name: 16alpha-hydroxydehydroepiandrosterone 3-sulfate(1-) +is_a: CHEBI:59696 ! steroid sulfate oxoanion [Term] -id: CHEBI:70994 -name: hexacyclic triterpenoid -is_a: CHEBI:36615 ! triterpenoid -is_a: CHEBI:51958 ! organic polycyclic compound +id: CHEBI:87571 +name: 6beta-hydroxyandrost-4-ene-3,17-dione +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid [Term] -id: CHEBI:70998 -name: G-protein-coupled receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:87584 +name: N(2)-acyl-L-glutaminate +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:71181 -name: Sir2 inhibitor -is_a: CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor +id: CHEBI:87593 +name: 15alpha-hydroxyestradiol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:83147 ! 15alpha-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite [Term] -id: CHEBI:71212 -name: prohormone -is_a: CHEBI:24432 ! biological role +id: CHEBI:87598 +name: 7alpha-hydroxyestradiol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:71224 -name: flavan-3,3',4',5,5',7-hexol -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:72010 ! hydroxyflavan +id: CHEBI:87602 +name: 4-hydroxyestrone +is_a: CHEBI:18135 ! catechol +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:62846 ! 4-hydroxy steroid +relationship: has_role CHEBI:50114 ! estrogen +relationship: has_role CHEBI:50903 ! carcinogenic agent +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:71227 -name: (+)-epigallocatechin -is_a: CHEBI:71224 ! flavan-3,3',4',5,5',7-hexol +id: CHEBI:87605 +name: 6alpha-hydroxyestrone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:36850 ! 6alpha-hydroxy steroid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:71232 -name: adenosine receptor antagonist -is_a: CHEBI:48706 ! antagonist +id: CHEBI:87618 +name: 15alpha-hydroxyestrone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:83147 ! 15alpha-hydroxy steroid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76968 ! fungal xenobiotic metabolite [Term] -id: CHEBI:71300 -name: EC 2.* (transferase) inhibitor -is_a: CHEBI:23924 ! enzyme inhibitor +id: CHEBI:87620 +name: 16beta-hydroxyestradiol +is_a: CHEBI:17354 ! 16beta-hydroxy steroid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:36834 ! 3-hydroxy steroid +relationship: has_role CHEBI:35472 ! anti-inflammatory drug +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:71312 -name: bis(molybdopterin guanine dinucleotide)molybdenum(4-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:87626 +name: 6beta-hydroxyestrone +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:36834 ! 3-hydroxy steroid +is_a: CHEBI:36851 ! 6beta-hydroxy steroid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:71338 -name: autoinducer -is_a: CHEBI:62488 ! signalling molecule +id: CHEBI:87631 +name: statin +is_a: CHEBI:36963 ! organooxygen compound +relationship: has_role CHEBI:35664 ! EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor +relationship: has_role CHEBI:35821 ! anticholesteremic drug [Term] -id: CHEBI:71339 -name: novobiocin(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:87632 +name: statin (naturally occurring) +is_a: CHEBI:87631 ! statin +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:71353 -name: Mo(VI)-molybdopterin cytosine dinucleotide -is_a: CHEBI:21437 ! Mo-molybdopterin cofactor -is_a: CHEBI:37146 ! molybdopterin dinucleotide +id: CHEBI:87633 +name: statin (semi-synthetic) +is_a: CHEBI:72588 ! semisynthetic derivative +is_a: CHEBI:87631 ! statin [Term] -id: CHEBI:71392 -name: tetracycline(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:87653 +name: (25R)-3beta,26-dihydroxycholest-5-en-7-one +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36852 ! 26-hydroxy steroid +is_a: CHEBI:47789 ! 7-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:71449 -name: hexadec-9-enoate -is_a: CHEBI:2580 ! unsaturated fatty acid anion -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:78095 ! hexadecenoate +id: CHEBI:87656 +name: hexanoate ester +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:71476 -name: EC 2.3.1.85 (fatty acid synthase) inhibitor -is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor +id: CHEBI:87657 +name: octanoate ester +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:71477 -name: guanosine 3'-diphosphate 5'-triphosphate(7-) -is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion +id: CHEBI:87658 +name: decanoate ester +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:71487 -name: chanoclavine-I aldehyde(1+) -is_a: CHEBI:60521 ! indole alkaloid cation +id: CHEBI:87659 +name: dodecanoate ester +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:71501 -name: c-GMP-AMP(2-) +id: CHEBI:87673 +name: 2-O-(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:71502 -name: beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) -is_a: CHEBI:21619 ! N-acetylneuraminates -is_a: CHEBI:88076 ! monosialotriglycosylceramide(1-) -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:87677 +name: (25R)-3beta-hydroxycholest-5-en-7-one-26-al +is_a: CHEBI:131565 ! steroid aldehyde +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:36884 ! 26-oxo steroid +is_a: CHEBI:47789 ! 7-oxo steroid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol [Term] -id: CHEBI:71541 -name: (25S)-Delta(4)-dafachronate -is_a: CHEBI:78358 ! Delta(4)-dafachronate +id: CHEBI:87678 +name: (25R)-3beta-hydroxycholest-5-en-7-one-26-oate +is_a: CHEBI:50160 ! steroid acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:71542 -name: (25S)-Delta(7)-dafachronate -is_a: CHEBI:50160 ! steroid acid anion +id: CHEBI:87687 +name: (3S)-3-hydroxyoleoyl-CoA(4-) +is_a: CHEBI:136757 ! long-chain (3S)-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:71543 -name: rotenoid -is_a: CHEBI:72544 ! flavonoids -is_a: CHEBI:72579 ! tetrahydrochromenochromene +id: CHEBI:87691 +name: tetradecanoate ester +is_a: CHEBI:35748 ! fatty acid ester [Term] -id: CHEBI:71556 -name: (25S)-Delta(7)-dafachronic acid -is_a: CHEBI:78699 ! Delta(7)-dafachronic acid -relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite +id: CHEBI:87695 +name: 3-oxooleoyl-CoA(4-) +is_a: CHEBI:136758 ! long-chain 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:71560 -name: (25S)-Delta(4)-dafachronic acid -is_a: CHEBI:78686 ! Delta(4)-dafachronic acid -relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite +id: CHEBI:87698 +name: (7Z)-hexadecenoyl-CoA(4-) +is_a: CHEBI:139572 ! hexadecenoyl-CoA(4-) [Term] -id: CHEBI:71580 -name: c-GMP-AMP -is_a: CHEBI:47037 ! cyclic purine dinucleotide -is_a: CHEBI:61295 ! guanyl ribonucleotide -is_a: CHEBI:61296 ! adenyl ribonucleotide +id: CHEBI:87700 +name: (24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:71583 -name: anthocyanidin glycoside -is_a: CHEBI:16366 ! anthocyanidin cation -is_a: CHEBI:24400 ! glycoside +id: CHEBI:87701 +name: (2E,5Z)-tetradecadienoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:85097 ! 4-saturated trans-2-enoyl-CoA(4-) [Term] -id: CHEBI:71598 -name: 3-oxo Delta(7)-steroid -is_a: CHEBI:47788 ! 3-oxo steroid +id: CHEBI:87702 +name: (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:71648 -name: hydroxybenzoquinone -is_a: CHEBI:132130 ! hydroxyquinone -is_a: CHEBI:22729 ! benzoquinones -is_a: CHEBI:33823 ! enol +id: CHEBI:87704 +name: 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA(4-) +is_a: CHEBI:131622 ! steroidal acyl-CoA(4-) [Term] -id: CHEBI:71666 -name: gamma-amino acid anion -is_a: CHEBI:37022 ! amino-acid anion +id: CHEBI:87705 +name: (3S,5Z)-3-hydroxytetradec-5-enoyl-CoA(4-) +is_a: CHEBI:136757 ! long-chain (3S)-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:57318 ! (S)-3-hydroxyacyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:71671 -name: aldonate(1-) -is_a: CHEBI:33721 ! carbohydrate acid anion +id: CHEBI:87707 +name: (5Z)-3-oxotetradecenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:71682 -name: cyanidin(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:87710 +name: (3E)-tetradecenoyl-CoA(4-) +is_a: CHEBI:58521 ! trans-3-enoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:71944 -name: aldehydic acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:87712 +name: (2E,4E)-tetradecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:85111 ! 6-saturated-trans,trans-2,4-dienoyl-CoA(4-) [Term] -id: CHEBI:71947 -name: tyrocidine -is_a: CHEBI:60004 ! mixture -relationship: has_part CHEBI:29701 ! tyrocidine A -relationship: has_part CHEBI:71948 ! tyrocidine B -relationship: has_part CHEBI:71949 ! tyrocidine C -relationship: has_part CHEBI:71950 ! tyrocidine D +id: CHEBI:87717 +name: (2E,7Z)-hexadecadienoyl-CoA(4-) +is_a: CHEBI:77330 ! polyunsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) +is_a: CHEBI:85100 ! 4,5-saturated-trans-2-enoyl-CoA(4-) [Term] -id: CHEBI:71948 -name: tyrocidine B -is_a: CHEBI:24613 ! homodetic cyclic peptide -is_a: CHEBI:25903 ! peptide antibiotic -is_a: CHEBI:51026 ! macrocycle -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:87718 +name: (3S,7Z)-3-hydroxyhexadecenoyl-CoA(4-) +is_a: CHEBI:136757 ! long-chain (3S)-hydroxy fatty acyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:71949 -name: tyrocidine C -is_a: CHEBI:24613 ! homodetic cyclic peptide -is_a: CHEBI:25903 ! peptide antibiotic -is_a: CHEBI:51026 ! macrocycle -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:33282 ! antibacterial agent -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:87719 +name: (7Z)-3-oxohexadecenoyl-CoA(4-) +is_a: CHEBI:57347 ! 3-oxo-fatty acyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:83139 ! long-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:71950 -name: tyrocidine D -is_a: CHEBI:24613 ! homodetic cyclic peptide -is_a: CHEBI:25903 ! peptide antibiotic -is_a: CHEBI:51026 ! macrocycle -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:33282 ! antibacterial agent +id: CHEBI:87728 +name: isolithocholate +is_a: CHEBI:131878 ! cholanic acid anion +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:71993 -name: flavonol(1-) -is_a: CHEBI:60038 ! flavonoid oxoanion +id: CHEBI:87730 +name: 3beta,7alpha-dihydroxy-5beta-cholan-24-oate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:72004 -name: hexadec-9-enoic acid -is_a: CHEBI:24548 ! hexadecenoic acid +id: CHEBI:87731 +name: 7alpha-hydroxy-3-oxo-5beta-cholan-24-oate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:72010 -name: hydroxyflavan -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:38672 ! flavans +id: CHEBI:87733 +name: 3beta,12alpha-dihydroxy-5beta-cholan-24-oate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:7203 -name: N-acetylhexosamine -is_a: CHEBI:21656 ! N-acyl-hexosamine +id: CHEBI:87734 +name: 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:72316 -name: virulence factor -is_a: CHEBI:27026 ! toxin +id: CHEBI:87735 +name: 3beta,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:72447 -name: 2-deoxystreptamine(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87736 +name: 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:72453 -name: poly(glycerol phosphate) teichoic acid -is_a: CHEBI:30049 ! teichoic acid +id: CHEBI:87747 +name: 7alpha-hydroxy-3-oxochol-4-en-24-oate +is_a: CHEBI:36235 ! bile acid anion [Term] -id: CHEBI:72454 -name: poly(ribitol phosphate) teichoic acid -is_a: CHEBI:30049 ! teichoic acid +id: CHEBI:87748 +name: 3-oxochola-4,6-dien-24-oate +is_a: CHEBI:50160 ! steroid acid anion [Term] -id: CHEBI:72455 -name: poly(glucopyranosyl N-acetylgalactosamine 1-phosphate) teichoic acid -is_a: CHEBI:30049 ! teichoic acid +id: CHEBI:87751 +name: ocimene +is_a: CHEBI:35187 ! monoterpene +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:72544 -name: flavonoids -is_a: CHEBI:25806 ! oxygen molecular entity -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:87753 +name: D-gulonic acid +is_a: CHEBI:24462 ! gulonic acid [Term] -id: CHEBI:72564 -name: temozolomide -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:72565 ! imidazotetrazine -is_a: CHEBI:72573 ! triazene derivative -relationship: has_role CHEBI:22333 ! alkylating agent -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50266 ! prodrug +id: CHEBI:87764 +name: N-docosanoylglycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:72565 -name: imidazotetrazine -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:87765 +name: L-ribonic acid +is_a: CHEBI:33511 ! ribonic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:72573 -name: triazene derivative -is_a: CHEBI:51143 ! nitrogen molecular entity +id: CHEBI:87768 +name: N-hexacosanoylglycine +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:29348 ! fatty amide +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:72576 -name: aurones -is_a: CHEBI:38830 ! 1-benzofurans -is_a: CHEBI:72544 ! flavonoids +id: CHEBI:87769 +name: lithocholyl-CoA +is_a: CHEBI:23218 ! choloyl-CoAs +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:72579 -name: tetrahydrochromenochromene -is_a: CHEBI:133135 ! chromenochromene +id: CHEBI:87771 +name: (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid +is_a: CHEBI:134531 ! polyunsaturated dicarboxylic acid +is_a: CHEBI:33823 ! enol [Term] -id: CHEBI:72581 -name: rotenones -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:71543 ! rotenoid +id: CHEBI:87772 +name: (4Z)-2-oxohept-4-enedioic acid +is_a: CHEBI:36145 ! oxo dicarboxylic acid +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:72588 -name: semisynthetic derivative -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:87773 +name: (S)-4-hydroxy-2-oxoheptanedioic acid +is_a: CHEBI:73089 ! 4-hydroxy-2-oxoheptanedioic acid [Term] -id: CHEBI:72596 -name: papulacandin -is_a: CHEBI:20857 ! C-glycosyl compound -is_a: CHEBI:23007 ! carbohydrate-containing antibiotic -is_a: CHEBI:35748 ! fatty acid ester -is_a: CHEBI:38831 ! 2-benzofurans -is_a: CHEBI:72600 ! spiroketal +id: CHEBI:87774 +name: 16alpha-hydroxydehydroepiandrosterone 3-sulfate +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:16799 ! 16alpha-hydroxy steroid +is_a: CHEBI:19168 ! 17-oxo steroid +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:50402 ! androstanoid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:72600 -name: spiroketal -is_a: CHEBI:37948 ! oxaspiro compound -is_a: CHEBI:59779 ! cyclic ketal +id: CHEBI:87781 +name: (3S)-3-hydroxyoleoyl-CoA +is_a: CHEBI:137639 ! long-chain (3S)-hydroxy fatty acyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA [Term] -id: CHEBI:72695 -name: organic molecule -is_a: CHEBI:25367 ! molecule -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:87783 +name: (25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid +is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:35348 ! 3beta-sterol +is_a: CHEBI:47789 ! 7-oxo steroid +is_a: CHEBI:47891 ! steroid acid +is_a: CHEBI:50401 ! cholestanoid +is_a: CHEBI:53030 ! oxysterol +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:72704 -name: chromenyliums -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35573 ! organic mancude parent +id: CHEBI:87785 +name: beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-) +is_a: CHEBI:82939 ! beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) +is_a: CHEBI:88057 ! ganglioside GD1(2-) [Term] -id: CHEBI:72720 -name: flavonoid oligomer -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:38443 ! 1-benzopyran -is_a: CHEBI:72544 ! flavonoids +id: CHEBI:87787 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) +is_a: CHEBI:88057 ! ganglioside GD1(2-) +is_a: CHEBI:90856 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(2-) [Term] -id: CHEBI:72750 -name: neosartoricin -is_a: CHEBI:26188 ! polyketide -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:38032 ! carbotricyclic compound -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:46955 ! anthracenes -is_a: CHEBI:47622 ! acetate ester -relationship: has_part CHEBI:26248 ! prenyl group -relationship: has_role CHEBI:35705 ! immunosuppressive agent -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:87788 +name: beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer(3-) +is_a: CHEBI:141748 ! N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:88078 ! trisialotriglycosylceramide(3-) [Term] -id: CHEBI:72755 -name: kanamycin C(4+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87789 +name: beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) +is_a: CHEBI:141743 ! beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88058 ! ganglioside GT1(3-) [Term] -id: CHEBI:72756 -name: kanamycin X(3+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87791 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(4-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88059 ! ganglioside GQ1(4-) +is_a: CHEBI:90513 ! alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(4-) [Term] -id: CHEBI:72765 -name: verruculogen -is_a: CHEBI:23824 ! diol -is_a: CHEBI:25702 ! organic peroxide -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:38958 ! indole alkaloid -is_a: CHEBI:51914 ! organic heterohexacyclic compound -relationship: has_role CHEBI:25442 ! mycotoxin -relationship: has_role CHEBI:50268 ! GABA modulator -relationship: has_role CHEBI:50509 ! potassium channel blocker -relationship: has_role CHEBI:76956 ! Aspergillus metabolite -relationship: has_role CHEBI:76964 ! Penicillium metabolite +id: CHEBI:87792 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(5-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88060 ! ganglioside GP1(5-) +is_a: CHEBI:90512 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(5-) [Term] -id: CHEBI:72768 -name: aryl hydrocarbon receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:87802 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(5-) +is_a: CHEBI:141697 ! N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(5-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:88060 ! ganglioside GP1(5-) [Term] -id: CHEBI:72797 -name: kanamycin X -is_a: CHEBI:24951 ! kanamycins +id: CHEBI:87803 +name: 3-(m-hydroxyphenyl)propanoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:72804 -name: HOTrE -is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid -is_a: CHEBI:15904 ! long-chain fatty acid -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:87804 +name: 3,3',5-trihydroxybibenzyl +is_a: CHEBI:26195 ! polyphenol +is_a: CHEBI:33572 ! resorcinols +is_a: CHEBI:51571 ! diphenylethane +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:72813 -name: exopolysaccharide -is_a: CHEBI:33694 ! biomacromolecule +id: CHEBI:87805 +name: ethionamide S-oxide +is_a: CHEBI:26421 ! pyridines +relationship: has_role CHEBI:33231 ! antitubercular agent +relationship: has_role CHEBI:35679 ! antilipemic drug +relationship: has_role CHEBI:35816 ! leprostatic drug +relationship: has_role CHEBI:50185 ! fatty acid synthesis inhibitor +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:72823 -name: glycerophosphoethanolamine zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:87808 +name: 2-ethylhexyl sulfate(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:72947 -name: kanamycin D(3+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87809 +name: 2-ethylhexanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:72949 -name: chanoclavine-I(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87810 +name: 3-methylmalate(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:73079 -name: kanamycin D -is_a: CHEBI:24951 ! kanamycins +id: CHEBI:87817 +name: D-ribitol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:73080 -name: hemiaminal -is_a: CHEBI:36963 ! organooxygen compound -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:87824 +name: methionine sulfone zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:73110 -name: ganglioside GM1(1-) -is_a: CHEBI:63551 ! carbohydrate acid derivative anion -is_a: CHEBI:88056 ! ganglioside GM1/1b(1-) +id: CHEBI:87825 +name: N-acetylmethionine sulfone(1-) +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:73136 -name: EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:87826 +name: L-methionine sulfoximine zwitterion +is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion [Term] -id: CHEBI:73155 -name: trienoic fatty acid -is_a: CHEBI:26208 ! polyunsaturated fatty acid -is_a: CHEBI:53339 ! olefinic fatty acid +id: CHEBI:87827 +name: N-acetyl-L-methionine sulfoximine(1-) +is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion [Term] -id: CHEBI:73181 -name: EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors -is_a: CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor +id: CHEBI:87828 +name: N(6)-glutaryl-L-lysine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue [Term] -id: CHEBI:73182 -name: plant activator -is_a: CHEBI:33286 ! agrochemical +id: CHEBI:87829 +name: 2''-O-glutaryl-ADP-D-ribose(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:73191 -name: abscisic acid receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:87830 +name: N(6)-succinyl-L-lysine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue [Term] -id: CHEBI:73202 -name: ceramide phosphoethanolamine zwitterion -is_a: CHEBI:27369 ! zwitterion +id: CHEBI:87831 +name: N(6)-malonyl-L-lysine(1-) residue +is_a: CHEBI:64898 ! anionic amino-acid residue [Term] -id: CHEBI:73204 -name: ceramide phosphoethanolamine -is_a: CHEBI:35786 ! phosphosphingolipid -is_a: CHEBI:36711 ! phosphoethanolamine +id: CHEBI:87832 +name: 2''-O-succinyl-ADP-D-ribose(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:73216 -name: EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor -is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor +id: CHEBI:87833 +name: 2''-O-malonyl-ADP-D-ribose(3-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:73240 -name: NF-kappaB inhibitor -is_a: CHEBI:35222 ! inhibitor +id: CHEBI:87834 +name: (S)-4-hydroxy-1-pyrroline-2-carboxylate +is_a: CHEBI:26457 ! 1-pyrrolinecarboxylate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] -id: CHEBI:73263 -name: cyclooxygenase 3 inhibitor -is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor +id: CHEBI:87835 +name: framycetin(6+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:73265 -name: archaeosine residue -is_a: CHEBI:50320 ! nucleoside residue +id: CHEBI:87836 +name: 2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glycerate +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:73271 -name: archaeosine -is_a: CHEBI:50660 ! 7-deazaguanine ribonucleoside +id: CHEBI:87837 +name: ketocytochalasin +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51026 ! macrocycle +is_a: CHEBI:51689 ! enone +is_a: CHEBI:74222 ! gamma-lactam +is_a: CHEBI:75946 ! cytochalasan alkaloid +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:73311 -name: adenosine receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:87838 +name: iso-precytochalasin +is_a: CHEBI:25106 ! macrolide +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:74222 ! gamma-lactam +is_a: CHEBI:75946 ! cytochalasan alkaloid +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:73316 -name: 2'-deoxyribonucleoside 5'-diphosphate(3-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:87839 +name: cytochalasin Z16 +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:46838 ! cyclic carbonate ester +is_a: CHEBI:51026 ! macrocycle +is_a: CHEBI:74222 ! gamma-lactam +is_a: CHEBI:75946 ! cytochalasan alkaloid +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:73335 -name: ultraviolet filter -is_a: CHEBI:52215 ! photochemical role +id: CHEBI:87840 +name: cis-3-hydroxy-D-proline zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:73336 -name: vulnerary -is_a: CHEBI:23888 ! drug +id: CHEBI:87841 +name: 4-pregnen-20,21-diol-3-one +is_a: CHEBI:35344 ! 21-hydroxy steroid +is_a: CHEBI:36854 ! 20-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +relationship: has_role CHEBI:50781 ! EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:73359 -name: alpha-CH2-containing aldehyde -is_a: CHEBI:17478 ! aldehyde +id: CHEBI:87842 +name: 1,4-naphthoquinone-2-carboxylate +is_a: CHEBI:35979 ! dioxo monocarboxylic acid anion [Term] -id: CHEBI:73360 -name: EC 3.4.11.18 (methionyl aminopeptidase) inhibitor -is_a: CHEBI:76787 ! EC 3.4.11.* (aminopeptidase) inhibitor +id: CHEBI:87844 +name: 2-phytyl-1,4-dihydroxynaphthalene +is_a: CHEBI:23783 ! naphthalenediols +is_a: CHEBI:51475 ! naphthohydroquinone +is_a: CHEBI:78840 ! olefinic compound [Term] -id: CHEBI:73361 -name: methionine aminopeptidase 2 inhibitor -is_a: CHEBI:73360 ! EC 3.4.11.18 (methionyl aminopeptidase) inhibitor +id: CHEBI:87846 +name: 3-hydroxy-O,5-dimethyl-L-tyrosine zwitterion +is_a: CHEBI:35238 ! amino acid zwitterion [Term] -id: CHEBI:73398 -name: indole skeleton -is_a: CHEBI:73541 ! organic heterobicyclic ring +id: CHEBI:87947 +name: 9-ribosyl-trans-zeatin 5'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:73474 -name: acetylenic compound -is_a: CHEBI:72695 ! organic molecule +id: CHEBI:87950 +name: 9-ribosyl-trans-zeatin 5'-diphosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:73477 -name: terminal acetylenic compound -is_a: CHEBI:73474 ! acetylenic compound +id: CHEBI:87953 +name: 9-ribosyl-trans-zeatin 5'-triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:73537 -name: 1,8-naphthyridine derivative -is_a: CHEBI:73539 ! naphthyridine derivative +id: CHEBI:8798 +name: 4a,5-dihydroriboflavin +is_a: CHEBI:15031 ! dihydroriboflavins [Term] -id: CHEBI:73539 -name: naphthyridine derivative -is_a: CHEBI:27171 ! organic heterobicyclic compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:87990 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:73541 -name: organic heterobicyclic ring -is_a: CHEBI:52845 ! cyclic organic group +id: CHEBI:87992 +name: beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:73558 -name: D3 vitamins -is_a: CHEBI:27300 ! vitamin D +id: CHEBI:87994 +name: alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:73678 -name: tobramycin(5+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:87996 +name: 3-(m-hydroxyphenyl)propanoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:73688 -name: Ac-Asp-Glu -is_a: CHEBI:46761 ! dipeptide -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:87997 +name: 3-aminobutyrate +is_a: CHEBI:63471 ! branched-chain amino-acid anion [Term] -id: CHEBI:73690 -name: erythrose 4-phosphate/phosphoenolpyruvate family amino acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:83813 ! proteinogenic amino acid +id: CHEBI:88003 +name: fructose 6-phosphate +is_a: CHEBI:24971 ! ketohexose monophosphate [Term] -id: CHEBI:73693 -name: ketone body -is_a: CHEBI:36586 ! carbonyl compound -is_a: CHEBI:61697 ! fatty acid derivative -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:63726 ! neuroprotective agent +id: CHEBI:88004 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide [Term] -id: CHEBI:73702 -name: wax -is_a: CHEBI:59999 ! chemical substance -is_a: CHEBI:61697 ! fatty acid derivative +id: CHEBI:88005 +name: 3-phosphoglycerate(2-) +is_a: CHEBI:132960 ! 3-phosphoglycerate +is_a: CHEBI:61304 ! phosphoglycerate [Term] -id: CHEBI:73754 -name: thiosugar -is_a: CHEBI:33261 ! organosulfur compound -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:88007 +name: 3-oxooleoyl-CoA +is_a: CHEBI:137599 ! long-chain 3-oxo-fatty acyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA [Term] -id: CHEBI:73772 -name: K antigen -is_a: CHEBI:65212 ! polysaccharide derivative -relationship: has_role CHEBI:59132 ! antigen +id: CHEBI:88008 +name: (7Z)-hexadecenoyl-CoA +is_a: CHEBI:24549 ! hexadecenoyl-CoA [Term] -id: CHEBI:73774 -name: enterobacterial common antigen -is_a: CHEBI:65212 ! polysaccharide derivative -relationship: has_part CHEBI:73776 ! N-acetyl-D-glucosaminyl group -relationship: has_part CHEBI:73781 ! N-acetyl-D-mannosaminouronosyl group -relationship: has_part CHEBI:73785 ! 4-acetamido-4,6-dideoxy-D-galactosyl group -relationship: has_role CHEBI:59132 ! antigen +id: CHEBI:88015 +name: archaeal dolichol +is_a: CHEBI:24913 ! isoprenoid +is_a: CHEBI:26199 ! polyprenol [Term] -id: CHEBI:73776 -name: N-acetyl-D-glucosaminyl group -is_a: CHEBI:21524 ! N-acetyl-D-glucosaminyl groups +id: CHEBI:88021 +name: archaeal dolichyl N-acetyl-alpha-D-glucosaminyl phosphate(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:73777 -name: N-acetyl-D-mannosaminouronic acid -is_a: CHEBI:63436 ! carbohydrate acid derivative +id: CHEBI:88026 +name: archaeal dolichyl 3-O-(2,3-diacetamido-2,3-dideoxy- beta-D-glucuronsyl)-N-acetyl- alpha-D-glucosaminyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:73781 -name: N-acetyl-D-mannosaminouronosyl group -is_a: CHEBI:24403 ! glycosyl group +id: CHEBI:88041 +name: CDP-3,6-dideoxy-alpha-D-mannose(2-) +is_a: CHEBI:58078 ! CDP-3,6-dideoxy-D-mannose(2-) [Term] -id: CHEBI:73783 -name: 4-acetamido-4,6-dideoxy-D-galactose -is_a: CHEBI:28963 ! amino sugar -is_a: CHEBI:63347 ! dideoxyhexose derivative +id: CHEBI:88042 +name: UDP-beta-L-iduronate(3-) +is_a: CHEBI:58233 ! UDP-L-iduronate(3-) [Term] -id: CHEBI:73785 -name: 4-acetamido-4,6-dideoxy-D-galactosyl group -is_a: CHEBI:24160 ! galactosaminyl group +id: CHEBI:88048 +name: cyanotoxin +is_a: CHEBI:27026 ! toxin +is_a: CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:73913 -name: antifolate -is_a: CHEBI:35221 ! antimetabolite +id: CHEBI:88052 +name: prenyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:74213 -name: EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor -is_a: CHEBI:76848 ! EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor +id: CHEBI:88053 +name: phosphatidyl-myo-inositol 6-acylmannoside(1-) +is_a: CHEBI:62643 ! anionic phospholipid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:74222 -name: gamma-lactam -is_a: CHEBI:24995 ! lactam +id: CHEBI:88054 +name: [5-(ammoniomethyl)-3-furyl]methyl diphosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:74224 -name: genistein(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:88055 +name: (4-\{4-[2-(gamma-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine(1+) +is_a: CHEBI:33719 ! alpha-amino-acid cation [Term] -id: CHEBI:74252 -name: rhizobactin 1021 -is_a: CHEBI:24650 ! hydroxamic acid -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:35868 ! hydroxy monocarboxylic acid -relationship: has_role CHEBI:26672 ! siderophore +id: CHEBI:88056 +name: ganglioside GM1/1b(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:74266 -name: N-acylurea -is_a: CHEBI:47857 ! ureas +id: CHEBI:88057 +name: ganglioside GD1(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:74324 -name: L-glyceric acid -is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid -is_a: CHEBI:33508 ! glyceric acid +id: CHEBI:88058 +name: ganglioside GT1(3-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:74337 -name: D-asparagine zwitterion -is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +id: CHEBI:88059 +name: ganglioside GQ1(4-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:74338 -name: D-valine zwitterion -is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion +id: CHEBI:88060 +name: ganglioside GP1(5-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:74345 -name: 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea -is_a: CHEBI:47857 ! ureas -is_a: CHEBI:55370 ! imidazolidinone +id: CHEBI:88061 +name: polyamine +is_a: CHEBI:50047 ! organic amino compound [Term] -id: CHEBI:74422 -name: 4'-demethylepipodophyllotoxin -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:38163 ! organic heterotetracyclic compound -is_a: CHEBI:50307 ! furonaphthodioxole -relationship: has_role CHEBI:35610 ! antineoplastic agent +id: CHEBI:88064 +name: (24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA +is_a: CHEBI:52135 ! steroidal acyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:74529 -name: antidote to paracetamol poisoning -is_a: CHEBI:50247 ! antidote +id: CHEBI:88065 +name: (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA +is_a: CHEBI:23197 ! cholestanoyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:74530 -name: antidote to curare poisoning -is_a: CHEBI:50247 ! antidote +id: CHEBI:88066 +name: dioctanoin +is_a: CHEBI:18035 ! diglyceride +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:74544 -name: 1-oleoyl-sn-glycero-3-phosphate(2-) -is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) -is_a: CHEBI:84973 ! oleoyl-sn-glycero-3-phosphate(2-) +id: CHEBI:88067 +name: (2E,5Z)-tetradecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA + +[Term] +id: CHEBI:88068 +name: monosialomonoglycosylceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside + +[Term] +id: CHEBI:88069 +name: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Cer +is_a: CHEBI:23075 ! glycotetraosylceramide [Term] -id: CHEBI:74783 -name: astringent -is_a: CHEBI:23888 ! drug +id: CHEBI:88070 +name: monooctanoylglycerol +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:87657 ! octanoate ester [Term] -id: CHEBI:74818 -name: heteroaryl hydroxy compound -is_a: CHEBI:33659 ! organic aromatic compound -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:88071 +name: monosialodiglycosylceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:7489 -name: neamine -is_a: CHEBI:47779 ! aminoglycoside -is_a: CHEBI:53628 ! 2,6-dideoxy-alpha-D-glucoside -relationship: has_role CHEBI:33282 ! antibacterial agent +id: CHEBI:88072 +name: (3S,5Z)-3-hydroxytetradec-5-enoyl-CoA +is_a: CHEBI:15456 ! (R)-3-hydroxyacyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:61902 ! hydroxy fatty acyl-CoA [Term] -id: CHEBI:74961 -name: raffinose family oligosaccharide -is_a: CHEBI:50699 ! oligosaccharide +id: CHEBI:88073 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:74969 -name: mucilage -is_a: CHEBI:60004 ! mixture -relationship: has_part CHEBI:17309 ! pectin -relationship: has_part CHEBI:72813 ! exopolysaccharide +id: CHEBI:88075 +name: trisialodiglycosylceramide(3-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:75050 -name: chromogenic compound -is_a: CHEBI:50411 ! one-colour indicator +id: CHEBI:88076 +name: monosialotriglycosylceramide(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:7507 -name: neomycin -is_a: CHEBI:22479 ! amino cyclitol glycoside -is_a: CHEBI:22507 ! aminoglycoside antibiotic -relationship: has_part CHEBI:53634 ! neomycin C -relationship: has_part CHEBI:7489 ! neamine -relationship: has_part CHEBI:7508 ! framycetin +id: CHEBI:88077 +name: disialotriglycosylceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:7508 -name: framycetin -is_a: CHEBI:47779 ! aminoglycoside -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:50904 ! allergen -relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +id: CHEBI:88078 +name: trisialotriglycosylceramide(3-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:75190 -name: EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor -is_a: CHEBI:76829 ! EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor +id: CHEBI:88079 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:75282 -name: ergosterol biosynthesis inhibitor -is_a: CHEBI:83317 ! sterol biosynthesis inhibitor +id: CHEBI:88080 +name: (5Z)-3-oxotetradecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:75380 -name: EC 1.11.1.6 (catalase) inhibitor -is_a: CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor +id: CHEBI:88081 +name: fatty acid anion 23:0 +is_a: CHEBI:58953 ! saturated fatty acid anion [Term] -id: CHEBI:75381 -name: EC 1.11.1.* (peroxidases) inhibitor -is_a: CHEBI:76738 ! EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor +id: CHEBI:88083 +name: (3E)-tetradecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:7539 -name: 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid -is_a: CHEBI:49018 ! neuraminic acid +id: CHEBI:88084 +name: (2E,4E)-tetradecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA +is_a: CHEBI:85556 ! trans,trans-2,4-dienoyl-CoA [Term] -id: CHEBI:75431 -name: ghrelin -is_a: CHEBI:15841 ! polypeptide -is_a: CHEBI:25905 ! peptide hormone -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50779 ! appetite enhancer -relationship: has_role CHEBI:50855 ! antiatherogenic agent -relationship: has_role CHEBI:68495 ! apoptosis inducer -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:88086 +name: (2E,7Z)-hexadecadienoyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:75525 -name: D-galactopyranuronate -is_a: CHEBI:33721 ! carbohydrate acid anion -is_a: CHEBI:35757 ! monocarboxylic acid anion -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:88087 +name: (3S,7Z)-3-hydroxyhexadecenoyl-CoA +is_a: CHEBI:137639 ! long-chain (3S)-hydroxy fatty acyl-CoA +is_a: CHEBI:51006 ! unsaturated fatty acyl-CoA [Term] -id: CHEBI:75596 -name: EC 5.* (isomerase) inhibitor -is_a: CHEBI:23924 ! enzyme inhibitor +id: CHEBI:88088 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:75600 -name: EC 6.3.* (C-N bond-forming ligase) inhibitor -is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor +id: CHEBI:88089 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-[alpha-Neu5Ac-(2->6)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:75603 -name: EC 6.* (ligase) inhibitor -is_a: CHEBI:23924 ! enzyme inhibitor +id: CHEBI:88090 +name: (7Z)-3-oxohexadecenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15489 ! 3-oxo-fatty acyl-CoA +is_a: CHEBI:33184 ! long-chain fatty acyl-CoA [Term] -id: CHEBI:75604 -name: EC 6.4.* (C-C bond-forming ligase) inhibitor -is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor +id: CHEBI:88091 +name: 6-deoxy-6-sulfoglucono-1,5-lactone(1-) +is_a: CHEBI:33554 ! organosulfonate oxoanion [Term] -id: CHEBI:75763 -name: eukaryotic metabolite -is_a: CHEBI:25212 ! metabolite +id: CHEBI:88093 +name: 6-deoxy-6-sulfo-D-gluconate(2-) +is_a: CHEBI:33554 ! organosulfonate oxoanion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:75767 -name: animal metabolite -is_a: CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:88094 +name: 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate(2-) +is_a: CHEBI:33554 ! organosulfonate oxoanion +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:75768 -name: mammalian metabolite -is_a: CHEBI:75767 ! animal metabolite +id: CHEBI:88095 +name: N-hexanoylphytosphingosine +is_a: CHEBI:139051 ! phytoceramide [Term] -id: CHEBI:75769 -name: B vitamin -is_a: CHEBI:27314 ! water-soluble vitamin -is_a: CHEBI:50733 ! nutraceutical +id: CHEBI:88096 +name: N-hexanoylphytosphingosine 1-phosphate(2-) +is_a: CHEBI:133525 ! N-acylphytosphingosine 1-phosphate(2-) [Term] -id: CHEBI:75771 -name: mouse metabolite -is_a: CHEBI:75768 ! mammalian metabolite +id: CHEBI:88097 +name: 7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:75772 -name: Saccharomyces cerevisiae metabolite -is_a: CHEBI:76946 ! fungal metabolite +id: CHEBI:88098 +name: 3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid +is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:75787 -name: prokaryotic metabolite -is_a: CHEBI:25212 ! metabolite +id: CHEBI:88099 +name: D-3-sulfolactaldehyde(1-) +is_a: CHEBI:77135 ! 3-sulfolactaldehyde(1-) [Term] -id: CHEBI:75818 -name: mannosyl diphosphorylinositol ceramide(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:88102 +name: 3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid +is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:7587 -name: nitroalkane -is_a: CHEBI:51129 ! nitrohydrocarbon +id: CHEBI:88104 +name: 12alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36260 ! monohydroxy-5beta-cholanic acid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:75885 -name: 2-pyranones -is_a: CHEBI:18946 ! delta-lactone -is_a: CHEBI:37963 ! pyranone +id: CHEBI:88105 +name: 3beta,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid +is_a: CHEBI:27114 ! trihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36836 ! 3beta-hydroxy steroid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:75947 -name: c[G(2',5')pA(3',5')p] -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:47037 ! cyclic purine dinucleotide -is_a: CHEBI:61295 ! guanyl ribonucleotide -is_a: CHEBI:61296 ! adenyl ribonucleotide +id: CHEBI:88107 +name: geranyl phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:75954 -name: vancomycin aglycone zwitterion -is_a: CHEBI:60466 ! peptide zwitterion +id: CHEBI:88108 +name: 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid +is_a: CHEBI:1624 ! 3-oxo-5beta-steroid +is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:36846 ! 12alpha-hydroxy steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:76042 -name: aromatic amino-acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:88109 +name: 7alpha-hydroxy-3-oxochol-4-en-24-oic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:36843 ! 7alpha-hydroxy steroid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +is_a: CHEBI:49273 ! cholenoic acid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:76150 -name: (R)-2-hydroxy-alpha-linolenate -is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:76177 ! (2R)-2-hydroxy fatty acid anion +id: CHEBI:88112 +name: 3-oxochola-4,6-dien-24-oic acid +is_a: CHEBI:3098 ! bile acid +is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:76176 -name: 2-hydroxy fatty acid anion -is_a: CHEBI:58896 ! 2-hydroxy carboxylate -is_a: CHEBI:59835 ! hydroxy fatty acid anion +id: CHEBI:88115 +name: N(2)-L-glutamino(1-) group +is_a: CHEBI:64898 ! anionic amino-acid residue +is_a: CHEBI:90782 ! C-terminal proteinogenic amino-acid residue(1-) [Term] -id: CHEBI:76177 -name: (2R)-2-hydroxy fatty acid anion -is_a: CHEBI:58314 ! (2R)-2-hydroxy monocarboxylic acid anion -is_a: CHEBI:76176 ! 2-hydroxy fatty acid anion +id: CHEBI:88117 +name: 2-ethylhexyl sulfate +is_a: CHEBI:29281 ! alkyl sulfate +relationship: has_role CHEBI:35195 ! surfactant +relationship: has_role CHEBI:50903 ! carcinogenic agent [Term] -id: CHEBI:76206 -name: xenobiotic metabolite -is_a: CHEBI:25212 ! metabolite +id: CHEBI:88118 +name: 2,3-epoxy-2,3-dihydrobenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:76224 -name: aromatic ketone -is_a: CHEBI:17087 ! ketone +id: CHEBI:88119 +name: dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:76234 -name: (R)-2-hydroxy-alpha-linolenic acid -is_a: CHEBI:10283 ! 2-hydroxy fatty acid -is_a: CHEBI:72804 ! HOTrE +id: CHEBI:88123 +name: (R)-12-hydroxysqualene +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:36615 ! triterpenoid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:76301 -name: inositol phosphate oxoanion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:88133 +name: D-ribitol 1-phosphate +is_a: CHEBI:22292 ! alditol 1-phosphate +is_a: CHEBI:26554 ! ribitol phosphate [Term] -id: CHEBI:76306 -name: (+)-menthol -is_a: CHEBI:25187 ! p-menthan-3-ol +id: CHEBI:88135 +name: N-acetylmethionine sulfone +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:35850 ! sulfone +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:84121 ! L-methionine derivative [Term] -id: CHEBI:76307 -name: omega-hydroxy fatty acid anion -is_a: CHEBI:59835 ! hydroxy fatty acid anion +id: CHEBI:88136 +name: N-acetyl-L-methionine sulfoximine +is_a: CHEBI:21545 ! N-acetyl-L-amino acid +is_a: CHEBI:38084 ! sulfoximide +is_a: CHEBI:48927 ! N-acyl-L-alpha-amino acid +is_a: CHEBI:84121 ! L-methionine derivative [Term] -id: CHEBI:76413 -name: greenhouse gas -is_a: CHEBI:51086 ! chemical role +id: CHEBI:88137 +name: 2-hydro-beta-NADP(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:76414 -name: propellant -is_a: CHEBI:33232 ! application +id: CHEBI:88138 +name: 2-hydro-beta-NAD(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:76424 -name: quercetin O-glycoside -is_a: CHEBI:50018 ! glycosyloxyflavone +id: CHEBI:88139 +name: 6-hydro-beta-NADP(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:76507 -name: marine metabolite -is_a: CHEBI:25212 ! metabolite +id: CHEBI:88140 +name: 6-hydro-beta-NAD(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:76529 -name: glycerophosphoglycerophosphoglycerol(2-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:88141 +name: 2''-O-glutaryl-ADP-D-ribose +is_a: CHEBI:25609 ! nucleotide-sugar [Term] -id: CHEBI:76530 -name: sn-glycero-3-monophosphate(2-) -is_a: CHEBI:62643 ! anionic phospholipid -is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) +id: CHEBI:88143 +name: (3,4-dimethoxyphenyl)methyloxidanyl +is_a: CHEBI:36872 ! organic radical [Term] -id: CHEBI:76533 -name: NDP-alpha-D-glucose(2-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:88145 +name: 2''-O-succinyl-ADP-D-ribose +is_a: CHEBI:138979 ! hemisuccinate +is_a: CHEBI:25609 ! nucleotide-sugar [Term] -id: CHEBI:76567 -name: polyunsaturated fatty acid anion -is_a: CHEBI:2580 ! unsaturated fatty acid anion +id: CHEBI:88146 +name: 2''-O-malonyl-ADP-D-ribose +is_a: CHEBI:25609 ! nucleotide-sugar [Term] -id: CHEBI:76578 -name: disubstituted glycerol -is_a: CHEBI:18059 ! lipid +id: CHEBI:88147 +name: 2,5-dihydroxybenzoyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:76595 -name: nephroprotective agent -is_a: CHEBI:50267 ! protective agent +id: CHEBI:88148 +name: 2,3-saturated fatty acyl-CoA(4-) +is_a: CHEBI:65111 ! 3-substituted propionyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:76617 -name: EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor -is_a: CHEBI:38637 ! tyrosine kinase inhibitor -is_a: CHEBI:76817 ! EC 2.7.10.* (protein-tyrosine kinase) inhibitor +id: CHEBI:88149 +name: (S)-4-hydroxy-1-pyrroline-2-carboxylic acid +is_a: CHEBI:16352 ! 4-hydroxy-1-pyrroline-2-carboxylic acid [Term] -id: CHEBI:76619 -name: omega-methyl fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:88152 +name: 2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glyceric acid +is_a: CHEBI:24400 ! glycoside +is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid +is_a: CHEBI:63353 ! disaccharide derivative +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:76629 -name: 2-lysophosphatidic acid -is_a: CHEBI:132742 ! lysophosphatidic acid +id: CHEBI:88153 +name: tripropionin +is_a: CHEBI:17855 ! triglyceride +is_a: CHEBI:36243 ! propanoate ester +relationship: has_role CHEBI:35617 ! flavouring agent [Term] -id: CHEBI:76655 -name: EC 2.1.* (C1-transferase) inhibitor -is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor +id: CHEBI:88154 +name: alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide +is_a: CHEBI:36508 ! glycotriaosylceramide [Term] -id: CHEBI:76660 -name: EC 2.2.* (aldehyde or ketone transferase) inhibitor -is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor +id: CHEBI:88155 +name: dipropionin +is_a: CHEBI:18035 ! diglyceride +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:36243 ! propanoate ester +is_a: CHEBI:51307 ! diester [Term] -id: CHEBI:76661 -name: EC 2.3.* (acyltransferase) inhibitor -is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor +id: CHEBI:88156 +name: diacetin +is_a: CHEBI:18035 ! diglyceride +is_a: CHEBI:30879 ! alcohol +is_a: CHEBI:47622 ! acetate ester +is_a: CHEBI:51307 ! diester [Term] -id: CHEBI:76662 -name: EC 2.4.* (glycosyltransferase) inhibitor -is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor +id: CHEBI:88157 +name: cis-3-hydroxy-D-proline +is_a: CHEBI:64368 ! 3-hydroxyproline +is_a: CHEBI:84185 ! D-proline derivative +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:76663 -name: EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor -is_a: CHEBI:76834 ! EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor +id: CHEBI:88158 +name: 1,4-naphthoquinone-2-carboxylic acid +is_a: CHEBI:132142 ! 1,4-naphthoquinones +is_a: CHEBI:35951 ! dioxo monocarboxylic acid [Term] -id: CHEBI:76668 -name: EC 2.7.* (P-containing group transferase) inhibitor -is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor +id: CHEBI:88159 +name: 3-hydroxy-O,5-dimethyl-L-tyrosine +is_a: CHEBI:27177 ! L-tyrosine derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:76695 -name: EC 5.4.* (intramolecular transferase) inhibitor -is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor +id: CHEBI:88164 +name: 3-chloroalanine +is_a: CHEBI:23127 ! chloroalanine +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:76697 -name: EC 5.99.* (other isomerases) inhibitor -is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor +id: CHEBI:88166 +name: (S)-2-methylbutanoyl-CoA(4-) +is_a: CHEBI:57336 ! 2-methylbutanoyl-CoA(4-) [Term] -id: CHEBI:7671 -name: O-acetylhomoserine -is_a: CHEBI:47622 ! acetate ester -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:88167 +name: N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:23075 ! glycotetraosylceramide +is_a: CHEBI:61360 ! globoside [Term] -id: CHEBI:76710 -name: EC 4.* (lyase) inhibitor -is_a: CHEBI:23924 ! enzyme inhibitor +id: CHEBI:88184 +name: metal allergen +is_a: CHEBI:33521 ! metal atom +relationship: has_role CHEBI:50904 ! allergen [Term] -id: CHEBI:76711 -name: EC 4.1.* (C-C lyase) inhibitor -is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor +id: CHEBI:88186 +name: metal cation allergen +is_a: CHEBI:25213 ! metal cation +relationship: has_role CHEBI:50904 ! allergen [Term] -id: CHEBI:76712 -name: EC 4.2.* (C-O lyase) inhibitor -is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor +id: CHEBI:88187 +name: penicillin allergen +is_a: CHEBI:17334 ! penicillin +relationship: has_role CHEBI:50904 ! allergen [Term] -id: CHEBI:76713 -name: EC 4.3.* (C-N lyase) inhibitor -is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor +id: CHEBI:88188 +name: drug allergen +is_a: CHEBI:23888 ! drug +is_a: CHEBI:50904 ! allergen [Term] -id: CHEBI:76725 -name: EC 1.* (oxidoreductase) inhibitor -is_a: CHEBI:23924 ! enzyme inhibitor +id: CHEBI:88190 +name: 2-oxido-5-methylquinone +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:76726 -name: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88221 +name: N(omega),N('omega)-dimethyl-L-arginine(1+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:76727 -name: EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88222 +name: N(5)-methyl-argininium(1+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:76729 -name: EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88226 +name: (2E,6E)-farnesyl monophosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:76730 -name: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88228 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(4-) +is_a: CHEBI:78455 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1)(4-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:76731 -name: EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88229 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(3-) +is_a: CHEBI:78452 ! alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:76733 -name: EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88230 +name: autophagy inhibitor +is_a: CHEBI:35222 ! inhibitor +is_a: CHEBI:52206 ! biochemical role [Term] -id: CHEBI:76735 -name: EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88231 +name: beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-) +is_a: CHEBI:79346 ! anionic ganglioside +is_a: CHEBI:87785 ! beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-) [Term] -id: CHEBI:76736 -name: EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88232 +name: epoxypheophorbide a(2-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:76737 -name: EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88233 +name: epoxypheophorbide a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:76738 -name: EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88234 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-) +is_a: CHEBI:78436 ! ganglioside GD3(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:76740 -name: EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88235 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(1-) +is_a: CHEBI:60065 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:76741 -name: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88237 +name: CDP-3,6-dideoxy-alpha-D-mannose +is_a: CHEBI:17259 ! CDP-3,6-dideoxy-D-mannose [Term] -id: CHEBI:76744 -name: EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor -is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor +id: CHEBI:88238 +name: (5Z,9Z,12Z)-octadecatrienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76759 -name: EC 3.* (hydrolase) inhibitor -is_a: CHEBI:23924 ! enzyme inhibitor +id: CHEBI:88239 +name: (5Z,9Z,12Z,15Z)-octadecatetraenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76760 -name: EC 3.1.* (ester hydrolase) inhibitor -is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor +id: CHEBI:88240 +name: oleoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76761 -name: EC 3.2.* (glycosylase) inhibitor -is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor +id: CHEBI:88241 +name: (9Z,12E)-octadecadienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76764 -name: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor -is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor +id: CHEBI:88242 +name: (9Z,12Z)-octadeca-9,12-dien-6-ynoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76773 -name: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor -is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor +id: CHEBI:88244 +name: (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76775 -name: EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor -is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor +id: CHEBI:88245 +name: prenyl phosphate +is_a: CHEBI:26250 ! prenol phosphate [Term] -id: CHEBI:76779 -name: EC 3.4.21.26 (prolyl oligopeptidase) inhibitor -is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor +id: CHEBI:88247 +name: [5-(aminomethyl)-3-furyl]methyl diphosphate +is_a: CHEBI:24129 ! furans +is_a: CHEBI:50994 ! primary amino compound +is_a: CHEBI:62889 ! organic diphosphate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:76782 -name: EC 3.4.15.* (peptidyl-dipeptidase) inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:88250 +name: 6-deoxy-6-sulfoglucono-1,5-lactone +is_a: CHEBI:38029 ! carbohydrate sulfonate +is_a: CHEBI:74105 ! aldono-1,5-lactone +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:76787 -name: EC 3.4.11.* (aminopeptidase) inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:88251 +name: (9Z,11E,13E,15Z)-octadecatetraenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76788 -name: EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:88252 +name: (11Z,14Z)-icosadienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76790 -name: EC 2.4.2.* (pentosyltransferase) inhibitor -is_a: CHEBI:76662 ! EC 2.4.* (glycosyltransferase) inhibitor +id: CHEBI:88253 +name: (11Z,14Z,17Z)-icosatrienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76796 -name: EC 3.4.22.* (cysteine endopeptidase) inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:88254 +name: (9Z,11E,13E)-octadecatrienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76797 -name: EC 2.5.1.18 (glutathione transferase) inhibitor -is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor +id: CHEBI:88257 +name: (8E,10E,12Z)-octadecatrienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76807 -name: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor -is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor +id: CHEBI:88259 +name: (9Z,11E,13Z)-octadeca-9,11,13-trienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76808 -name: EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor -is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor +id: CHEBI:88260 +name: (9Z)-octadec-9-en-12-ynoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76811 -name: EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor -is_a: CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor +id: CHEBI:88261 +name: palmitoleoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76812 -name: EC 2.7.11.* (protein-serine/threonine kinase) inhibitor -is_a: CHEBI:37699 ! protein kinase inhibitor -is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor +id: CHEBI:88262 +name: (9Z,12E)-hexadecadienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76815 -name: EC 2.7.7.* (nucleotidyltransferase) inhibitor -is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor +id: CHEBI:88264 +name: (7Z,10Z,13Z,16Z)-docosatetraenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76816 -name: EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor -is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor +id: CHEBI:88265 +name: (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76817 -name: EC 2.7.10.* (protein-tyrosine kinase) inhibitor -is_a: CHEBI:37699 ! protein kinase inhibitor -is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor +id: CHEBI:88266 +name: (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76823 -name: EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor -is_a: CHEBI:75600 ! EC 6.3.* (C-N bond-forming ligase) inhibitor +id: CHEBI:88267 +name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76824 -name: EC 6.4.1.* (carboxylase) inhibitor -is_a: CHEBI:75604 ! EC 6.4.* (C-C bond-forming ligase) inhibitor +id: CHEBI:88268 +name: (7Z,10Z)-hexadecadienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76829 -name: EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor -is_a: CHEBI:76695 ! EC 5.4.* (intramolecular transferase) inhibitor +id: CHEBI:88269 +name: (7Z,10Z,13Z)-hexadecatrienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76830 -name: EC 5.99.1.* (miscellaneous isomerase) inhibitor -is_a: CHEBI:76697 ! EC 5.99.* (other isomerases) inhibitor +id: CHEBI:88270 +name: 6-deoxy-6-sulfo-D-gluconic acid +is_a: CHEBI:38029 ! carbohydrate sulfonate +is_a: CHEBI:63436 ! carbohydrate acid derivative +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:76832 -name: EC 4.3.1.* (ammonia-lyase) inhibitor -is_a: CHEBI:76713 ! EC 4.3.* (C-N lyase) inhibitor +id: CHEBI:88277 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36543 ! sialotetraosylceramide [Term] -id: CHEBI:76834 -name: EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor -is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor +id: CHEBI:88278 +name: N-acetylhexosaminyl-dihexosylceramide +is_a: CHEBI:36508 ! glycotriaosylceramide [Term] -id: CHEBI:76835 -name: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor -is_a: CHEBI:76726 ! EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor +id: CHEBI:88291 +name: hydroxyimidazole +is_a: CHEBI:24780 ! imidazoles +is_a: CHEBI:74818 ! heteroaryl hydroxy compound [Term] -id: CHEBI:76837 -name: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor -is_a: CHEBI:76740 ! EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor +id: CHEBI:88306 +name: 4-nitrophenols +is_a: CHEBI:39362 ! mononitrophenol [Term] -id: CHEBI:76838 -name: EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor -is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +id: CHEBI:88332 +name: aralkylammonium +is_a: CHEBI:65296 ! primary ammonium ion [Term] -id: CHEBI:76840 -name: EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor -is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +id: CHEBI:88347 +name: 15(S)-HEPE +is_a: CHEBI:72627 ! 15-HEPE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:76841 -name: EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor -is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +id: CHEBI:88350 +name: 2-phosphoglycerate(3-) +is_a: CHEBI:61304 ! phosphoglycerate +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:76842 -name: vancomycin(1+) -is_a: CHEBI:25697 ! organic cation +id: CHEBI:88351 +name: linoleoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76845 -name: EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor -is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +id: CHEBI:88360 +name: N-(1-naphthyl)carboxamide +is_a: CHEBI:88361 ! N-(naphthyl)carboxamide [Term] -id: CHEBI:76848 -name: EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor -is_a: CHEBI:76744 ! EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor +id: CHEBI:88361 +name: N-(naphthyl)carboxamide +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:25477 ! naphthalenes +is_a: CHEBI:62733 ! aromatic amide [Term] -id: CHEBI:76852 -name: EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor -is_a: CHEBI:76727 ! EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor +id: CHEBI:88390 +name: 1-hydroxybutan-2-one +is_a: CHEBI:139590 ! primary alpha-hydroxy ketone [Term] -id: CHEBI:76853 -name: EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor -is_a: CHEBI:76727 ! EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor +id: CHEBI:88414 +name: (S)-2-methylbutanal +is_a: CHEBI:16182 ! 2-methylbutanal [Term] -id: CHEBI:76857 -name: EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor -is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor +id: CHEBI:88456 +name: 8,15-DiHETE +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid [Term] -id: CHEBI:76861 -name: EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor -is_a: CHEBI:76730 ! EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor +id: CHEBI:88494 +name: epsilon-(gamma-glutamyl)lysine +is_a: CHEBI:16232 ! N(6)-acyl-L-lysine [Term] -id: CHEBI:76863 -name: EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor -is_a: CHEBI:76731 ! EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor +id: CHEBI:88514 +name: butyl formate +is_a: CHEBI:52343 ! formate ester +relationship: has_role CHEBI:35617 ! flavouring agent +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:48358 ! polar aprotic solvent [Term] -id: CHEBI:76866 -name: EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor -is_a: CHEBI:76733 ! EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor +id: CHEBI:88528 +name: hexanal +is_a: CHEBI:12834 ! n-alkanal +is_a: CHEBI:133249 ! saturated fatty aldehyde +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:76869 -name: EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor -is_a: CHEBI:76735 ! EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor +id: CHEBI:88609 +name: trans-2-dodecene +is_a: CHEBI:33645 ! acyclic olefin [Term] -id: CHEBI:76870 -name: EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor -is_a: CHEBI:76736 ! EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor +id: CHEBI:8871 +name: risperidone +is_a: CHEBI:37143 ! organofluorine compound +is_a: CHEBI:38932 ! pyridopyrimidine +is_a: CHEBI:48585 ! heteroarylpiperidine +is_a: CHEBI:51545 ! 1,2-benzoxazoles +relationship: has_role CHEBI:35471 ! psychotropic drug +relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist +relationship: has_role CHEBI:37955 ! H1-receptor antagonist +relationship: has_role CHEBI:48279 ! serotonergic antagonist +relationship: has_role CHEBI:48561 ! dopaminergic antagonist +relationship: has_role CHEBI:65191 ! second generation antipsychotic +relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor [Term] -id: CHEBI:76871 -name: EC 2.1.1.* (methyltransferases) inhibitor -is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor +id: CHEBI:88752 +name: cholesteryl (5Z,8Z,11Z)-icosatrienoate +is_a: CHEBI:138331 ! cholesteryl icosatrienoate +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:76874 -name: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor -is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor +id: CHEBI:88756 +name: cholesteryl gamma-linolenate +is_a: CHEBI:132004 ! cholesteryl octadecatrienoate +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:76876 -name: EC 2.2.1.* (transketolase/transaldolase) inhibitor -is_a: CHEBI:76660 ! EC 2.2.* (aldehyde or ketone transferase) inhibitor +id: CHEBI:88764 +name: ethyl butyrate +is_a: CHEBI:50477 ! butyrate ester +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:76878 -name: EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor -is_a: CHEBI:76661 ! EC 2.3.* (acyltransferase) inhibitor +id: CHEBI:88824 +name: N-acetylcadaverine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:22160 ! acetamides +is_a: CHEBI:50442 ! N-substituted cadaverine +is_a: CHEBI:50994 ! primary amino compound +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:76881 -name: EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor -is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor +id: CHEBI:89 +name: (-)-camphene +is_a: CHEBI:3830 ! camphene [Term] -id: CHEBI:76891 -name: EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor -is_a: CHEBI:76787 ! EC 3.4.11.* (aminopeptidase) inhibitor +id: CHEBI:89268 +name: 2-hydroxyestradiol 3-methyl ether +is_a: CHEBI:131621 ! C19-steroid +is_a: CHEBI:35343 ! 17beta-hydroxy steroid +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:36857 ! 2-hydroxy steroid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:76893 -name: EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor -is_a: CHEBI:76788 ! EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor +id: CHEBI:8927 +name: S-(2,4-dinitrophenyl)glutathione +is_a: CHEBI:24335 ! glutathione conjugate [Term] -id: CHEBI:76895 -name: EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor -is_a: CHEBI:73216 ! EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor +id: CHEBI:8934 +name: (4-bromophenylsulfanyl)pyruvic acid +is_a: CHEBI:35683 ! aryl sulfide +is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid +is_a: CHEBI:37141 ! organobromine compound [Term] -id: CHEBI:76898 -name: EC 1.14.14.1 (unspecific monooxygenase) inhibitor -is_a: CHEBI:76838 ! EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor +id: CHEBI:89417 +name: 5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide) +is_a: CHEBI:13601 ! 3-oxo-5alpha-steroid +is_a: CHEBI:26763 ! steroid glucosiduronic acid +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:76902 -name: EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor -is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor +id: CHEBI:8944 +name: S-adenosyl-4-methylthio-2-oxobutanoic acid +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:26830 ! sulfonium compound +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite [Term] -id: CHEBI:76906 -name: EC 4.1.1.* (carboxy-lyase) inhibitor -is_a: CHEBI:76711 ! EC 4.1.* (C-C lyase) inhibitor +id: CHEBI:89484 +name: 4-heptanone +is_a: CHEBI:18044 ! dialkyl ketone +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:76907 -name: EC 4.2.1.* (hydro-lyases) inhibitor -is_a: CHEBI:76712 ! EC 4.2.* (C-O lyase) inhibitor +id: CHEBI:89540 +name: methyl propenyl ketone +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:76924 -name: plant metabolite -is_a: CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:89719 +name: propyl butyrate +is_a: CHEBI:50477 ! butyrate ester +relationship: has_role CHEBI:24850 ! insect attractant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:76928 -name: 2,3-saturated fatty acid(1-) -is_a: CHEBI:28868 ! fatty acid anion -is_a: CHEBI:83955 ! 1,2-saturated fatty acid anion +id: CHEBI:89828 +name: propyl propionate +is_a: CHEBI:36243 ! propanoate ester +relationship: has_role CHEBI:59163 ! biomarker +relationship: has_role CHEBI:76946 ! fungal metabolite +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:76929 -name: 2,3-saturated fatty acid -is_a: CHEBI:35366 ! fatty acid +id: CHEBI:8984 +name: sodium dodecyl sulfate +is_a: CHEBI:38700 ! organic sodium salt +relationship: has_part CHEBI:23872 ! dodecyl sulfate +relationship: has_role CHEBI:27780 ! detergent +relationship: has_role CHEBI:50533 ! protein denaturant [Term] -id: CHEBI:76931 -name: Ac-Asp-Glu(3-) -is_a: CHEBI:60334 ! peptide anion +id: CHEBI:89891 +name: 3-hexanone +is_a: CHEBI:18044 ! dialkyl ketone +relationship: has_role CHEBI:24850 ! insect attractant +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite +relationship: has_role CHEBI:84087 ! human urinary metabolite [Term] -id: CHEBI:76932 -name: pathway inhibitor -is_a: CHEBI:23924 ! enzyme inhibitor +id: CHEBI:89929 +name: glycoursodeoxycholic acid +is_a: CHEBI:16180 ! N-acylglycine +is_a: CHEBI:36255 ! bile acid glycine conjugate +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:85234 ! human blood serum metabolite [Term] -id: CHEBI:76938 -name: EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor -is_a: CHEBI:73216 ! EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor +id: CHEBI:9003 +name: salicin 6-phosphate +is_a: CHEBI:37549 ! glycoside phosphate [Term] -id: CHEBI:76939 -name: EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor -is_a: CHEBI:76938 ! EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor +id: CHEBI:90076 +name: (8Z,11Z,14Z)-icosatrienoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76941 -name: sphingoid 1-phosphate(1-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:90077 +name: arachidonoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76946 -name: fungal metabolite -is_a: CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:90078 +name: alpha-linolenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76956 -name: Aspergillus metabolite -is_a: CHEBI:76946 ! fungal metabolite +id: CHEBI:90079 +name: (6Z,9Z,12Z,15Z)-octadecatetraenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76964 -name: Penicillium metabolite -is_a: CHEBI:76946 ! fungal metabolite +id: CHEBI:90081 +name: gamma-linolenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76967 -name: human xenobiotic metabolite -is_a: CHEBI:76206 ! xenobiotic metabolite -is_a: CHEBI:77746 ! human metabolite +id: CHEBI:90082 +name: omega-3-arachidonoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76968 -name: fungal xenobiotic metabolite -is_a: CHEBI:76206 ! xenobiotic metabolite -is_a: CHEBI:76946 ! fungal metabolite +id: CHEBI:90083 +name: (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-containing glycerolipid +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:76969 -name: bacterial metabolite -is_a: CHEBI:75787 ! prokaryotic metabolite +id: CHEBI:90085 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Cer +is_a: CHEBI:36508 ! glycotriaosylceramide [Term] -id: CHEBI:76971 -name: Escherichia coli metabolite -is_a: CHEBI:76969 ! bacterial metabolite +id: CHEBI:90086 +name: N-benzoyl-L-arginine +is_a: CHEBI:21645 ! N-acyl-L-arginine +is_a: CHEBI:22702 ! benzamides [Term] -id: CHEBI:76976 -name: bacterial xenobiotic metabolite -is_a: CHEBI:76206 ! xenobiotic metabolite -is_a: CHEBI:76969 ! bacterial metabolite +id: CHEBI:90092 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36542 ! sialopentaosylceramide [Term] -id: CHEBI:76988 -name: xenoestrogen -is_a: CHEBI:138015 ! endocrine disruptor -is_a: CHEBI:50114 ! estrogen +id: CHEBI:90093 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-[alpha-Neu5Ac-(2->6)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:36542 ! sialopentaosylceramide [Term] -id: CHEBI:76989 -name: phytoestrogen -is_a: CHEBI:50114 ! estrogen +id: CHEBI:90095 +name: 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid +is_a: CHEBI:38029 ! carbohydrate sulfonate +is_a: CHEBI:63436 ! carbohydrate acid derivative +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:77019 -name: EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor -is_a: CHEBI:76737 ! EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor +id: CHEBI:90099 +name: carboxyphosphoric acid +is_a: CHEBI:25703 ! organic phosphate +is_a: CHEBI:37787 ! acyclic mixed acid anhydride +is_a: CHEBI:64708 ! one-carbon compound [Term] -id: CHEBI:77020 -name: EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor -is_a: CHEBI:77019 ! EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor +id: CHEBI:90104 +name: D-3-sulfolactaldehyde +is_a: CHEBI:77265 ! 3-sulfolactaldehyde +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:77024 -name: EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor -is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor +id: CHEBI:90109 +name: L-3-sulfolactaldehyde(1-) +is_a: CHEBI:77135 ! 3-sulfolactaldehyde(1-) [Term] -id: CHEBI:77035 -name: expectorant -is_a: CHEBI:23888 ! drug +id: CHEBI:90118 +name: tricosanoyl-CoA(4-) +is_a: CHEBI:77332 ! saturated fatty acyl-CoA(4-) [Term] -id: CHEBI:77068 -name: sphingoid 1-phosphate -is_a: CHEBI:35786 ! phosphosphingolipid +id: CHEBI:90119 +name: (2E)-tricosenoyl-CoA(4-) +is_a: CHEBI:58856 ! 2,3-trans-enoyl CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) [Term] -id: CHEBI:77111 -name: EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor -is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor +id: CHEBI:90143 +name: N-amidinoaspartic acid +is_a: CHEBI:22661 ! aspartic acid derivative +is_a: CHEBI:24436 ! guanidines +is_a: CHEBI:35692 ! dicarboxylic acid [Term] -id: CHEBI:77119 -name: EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:90151 +name: alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:88056 ! ganglioside GM1/1b(1-) [Term] -id: CHEBI:77120 -name: TMP -is_a: CHEBI:39457 ! pyrimidine ribonucleoside 5'-monophosphate +id: CHEBI:90153 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-) +is_a: CHEBI:78445 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(2-) [Term] -id: CHEBI:77131 -name: sinapic acid -is_a: CHEBI:24688 ! monohydroxycinnamic acid -is_a: CHEBI:26004 ! phenylpropanoid -is_a: CHEBI:33853 ! phenols -is_a: CHEBI:51681 ! dimethoxybenzene +id: CHEBI:90156 +name: 2-methylhexanoyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:77132 -name: 6-sulfoquinovose(1-) -is_a: CHEBI:33554 ! organosulfonate oxoanion +id: CHEBI:90157 +name: 2-methylhexenoyl-CoA(4-) +is_a: CHEBI:77331 ! monounsaturated fatty acyl-CoA(4-) +is_a: CHEBI:88148 ! 2,3-saturated fatty acyl-CoA(4-) +is_a: CHEBI:90546 ! medium-chain fatty acyl-CoA(4-) [Term] -id: CHEBI:77166 -name: 3-oxo-Delta(1),Delta(4)-steroid -is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid +id: CHEBI:90158 +name: N-carbamoylaspartate(2-) +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:77178 -name: histological dye -is_a: CHEBI:37958 ! dye +id: CHEBI:90159 +name: geranyl phosphate +is_a: CHEBI:16460 ! polyprenol phosphate +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:77182 -name: food colouring -is_a: CHEBI:64047 ! food additive +id: CHEBI:90162 +name: 2,3-epoxy-2,3-dihydrobenzoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:7719 -name: ochratoxin A -is_a: CHEBI:25985 ! phenylalanine derivative -is_a: CHEBI:29347 ! monocarboxylic acid amide -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:38762 ! isochromanes -is_a: CHEBI:77673 ! N-acyl-L-phenylalanine -relationship: has_role CHEBI:25442 ! mycotoxin -relationship: has_role CHEBI:38215 ! calcium channel blocker -relationship: has_role CHEBI:50903 ! carcinogenic agent -relationship: has_role CHEBI:50905 ! teratogenic agent -relationship: has_role CHEBI:61015 ! nephrotoxin -relationship: has_role CHEBI:76956 ! Aspergillus metabolite -relationship: has_role CHEBI:76964 ! Penicillium metabolite +id: CHEBI:90163 +name: beta-D-3-sulfogalactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:84733 ! dihexosylceramide sulfate(1-) [Term] -id: CHEBI:77198 -name: 6-sulfoquinovose -is_a: CHEBI:38029 ! carbohydrate sulfonate -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:90164 +name: N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-3-sulfogalactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) +is_a: CHEBI:58958 ! organosulfate oxoanion [Term] -id: CHEBI:77255 -name: EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor -is_a: CHEBI:59107 ! EC 3.4.24.* (metalloendopeptidase) inhibitor +id: CHEBI:90165 +name: N-hexanoylphytosphingosine 1-phosphate +is_a: CHEBI:134540 ! N-acylphytosphingosine 1-phosphate [Term] -id: CHEBI:77307 -name: cardioprotective agent -is_a: CHEBI:50267 ! protective agent +id: CHEBI:90167 +name: dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose +is_a: CHEBI:23557 ! dTDP-sugar [Term] -id: CHEBI:7735 -name: olanzapine -is_a: CHEBI:22720 ! benzodiazepine -is_a: CHEBI:46848 ! N-arylpiperazine -is_a: CHEBI:46920 ! N-methylpiperazine -relationship: has_role CHEBI:37956 ! histamine antagonist -relationship: has_role CHEBI:48279 ! serotonergic antagonist -relationship: has_role CHEBI:48561 ! dopaminergic antagonist -relationship: has_role CHEBI:48876 ! muscarinic antagonist -relationship: has_role CHEBI:50919 ! antiemetic -relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor -relationship: has_role CHEBI:65191 ! second generation antipsychotic +id: CHEBI:90170 +name: 2-hydro-beta-NADP +is_a: CHEBI:13392 ! NAD(P)H +is_a: CHEBI:25523 ! NADP [Term] -id: CHEBI:77396 -name: long-chain primary fatty alcohol -is_a: CHEBI:138088 ! long chain primary alcohol -is_a: CHEBI:17135 ! long-chain fatty alcohol +id: CHEBI:90171 +name: 2-hydro-beta-NAD +is_a: CHEBI:13389 ! NAD +is_a: CHEBI:13392 ! NAD(P)H [Term] -id: CHEBI:77425 -name: EC 1.1.1.188 (prostaglandin-F synthase) inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:90172 +name: c-Jun N-terminal kinase inhibitor +is_a: CHEBI:79091 ! EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor [Term] -id: CHEBI:77444 -name: 1-undecene -is_a: CHEBI:32878 ! alkene -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:90173 +name: 6-hydro-beta-NADP +is_a: CHEBI:13392 ! NAD(P)H +is_a: CHEBI:25523 ! NADP [Term] -id: CHEBI:77450 -name: dicarboxylic acid monoamide(1-) -is_a: CHEBI:35757 ! monocarboxylic acid anion +id: CHEBI:90174 +name: 6-hydro-beta-NAD +is_a: CHEBI:13389 ! NAD +is_a: CHEBI:13392 ! NAD(P)H [Term] -id: CHEBI:77484 -name: EC 1.1.1.25 (shikimate dehydrogenase) inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:90176 +name: 2,5-dihydroxybenzoyl-CoA +is_a: CHEBI:17984 ! acyl-CoA [Term] -id: CHEBI:77506 -name: 1-pentadecene -is_a: CHEBI:32878 ! alkene -relationship: has_role CHEBI:75768 ! mammalian metabolite +id: CHEBI:90189 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:77521 -name: thermal degradation product -is_a: CHEBI:51086 ! chemical role +id: CHEBI:90218 +name: gentamycin(2+) +is_a: CHEBI:25697 ! organic cation +is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:77523 -name: Maillard reaction product -is_a: CHEBI:77521 ! thermal degradation product +id: CHEBI:90219 +name: gentamycin 2''-phosphate dizwitterion +is_a: CHEBI:27369 ! zwitterion [Term] -id: CHEBI:77589 -name: monoacyl-sn-glycerol 3-phosphate(2-) -is_a: CHEBI:76530 ! sn-glycero-3-monophosphate(2-) +id: CHEBI:90222 +name: (S)-2-methylbutanoyl-CoA +is_a: CHEBI:15451 ! (2S)-2-methylacyl-CoA +is_a: CHEBI:15477 ! 2-methylbutanoyl-CoA +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:77632 -name: unsaturated fatty acyl-CoA(4-) -is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +id: CHEBI:90224 +name: 2-methylhexanoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA [Term] -id: CHEBI:77636 -name: fatty acyl-CoA(4-) -is_a: CHEBI:58342 ! acyl-CoA(4-) +id: CHEBI:90228 +name: epoxypheophorbide a +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:38254 ! pheophorbide [Term] -id: CHEBI:77654 -name: EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor -is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +id: CHEBI:90230 +name: prostaglandin E2 1-glyceryl ester +is_a: CHEBI:134396 ! secondary allylic alcohol +is_a: CHEBI:26338 ! prostaglandins E +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:36132 ! alicyclic ketone +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:77659 -name: emodin(1-) -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor -relationship: has_role CHEBI:50503 ! laxative -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:90231 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0) +is_a: CHEBI:27515 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer [Term] -id: CHEBI:77672 -name: N-acyl-D-phenylalanine -is_a: CHEBI:15778 ! N-acyl-D-amino acid +id: CHEBI:90233 +name: prostaglandin F2alpha 1-glyceryl ester +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35759 ! 1-monoglyceride +is_a: CHEBI:36066 ! prostaglandins Falpha +is_a: CHEBI:37205 ! pentol +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:77673 -name: N-acyl-L-phenylalanine -is_a: CHEBI:21644 ! N-acyl-L-amino acid -is_a: CHEBI:84144 ! L-phenylalanine derivative +id: CHEBI:90236 +name: (2E,6E)-farnesyl monophosphate +is_a: CHEBI:24018 ! farnesyl phosphate +relationship: has_role CHEBI:70782 ! PPARalpha agonist +relationship: has_role CHEBI:73730 ! PPARbeta/delta agonist +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:77703 -name: EC 4.3.1.3 (histidine ammonia-lyase) inhibitor -is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor +id: CHEBI:90238 +name: beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0) +is_a: CHEBI:28175 ! beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer [Term] -id: CHEBI:77705 -name: EC 3.4.19.* (omega-peptidase) inhibitor -is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor +id: CHEBI:90240 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0) +is_a: CHEBI:79213 ! alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide [Term] -id: CHEBI:77706 -name: EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor -is_a: CHEBI:77705 ! EC 3.4.19.* (omega-peptidase) inhibitor +id: CHEBI:90246 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer(2-) +is_a: CHEBI:88057 ! ganglioside GD1(2-) [Term] -id: CHEBI:77709 -name: alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine(1-) -is_a: CHEBI:82639 ! alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) +id: CHEBI:90262 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide [Term] -id: CHEBI:77718 -name: carboxamidinium ion -is_a: CHEBI:35286 ! iminium ion +id: CHEBI:90264 +name: L-3-sulfolactaldehyde +is_a: CHEBI:77265 ! 3-sulfolactaldehyde [Term] -id: CHEBI:77746 -name: human metabolite -is_a: CHEBI:75768 ! mammalian metabolite +id: CHEBI:90265 +name: alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:77805 -name: enterobactin(1-) -is_a: CHEBI:50525 ! phenolate anion -relationship: has_role CHEBI:26672 ! siderophore -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:90266 +name: tricosanoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:77828 -name: guanosine 3',5'-bis(diphosphate)(5-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:90277 +name: (2E)-tricosenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:15469 ! alk-2-enoyl-CoA +is_a: CHEBI:50998 ! trans-2-enoyl-CoA +is_a: CHEBI:61910 ! very long-chain fatty acyl-CoA [Term] -id: CHEBI:77847 -name: glycerol 1-phosphodiester(1-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:90292 +name: beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:90811 ! beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide [Term] -id: CHEBI:77853 -name: persistent organic pollutant -is_a: CHEBI:78298 ! environmental contaminant +id: CHEBI:90307 +name: beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:90358 ! beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer [Term] -id: CHEBI:77857 -name: cyanidin 3-O-beta-D-glucoside(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:90310 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monoacyl-sn-glycerol +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:63428 ! digalactosylglycerol derivative [Term] -id: CHEBI:77858 -name: 4-hydroxycoumarin(1-) -is_a: CHEBI:25696 ! organic anion +id: CHEBI:90318 +name: EC 6.4.1.1 (pyruvate carboxylase) inhibitor +is_a: CHEBI:76824 ! EC 6.4.1.* (carboxylase) inhibitor [Term] -id: CHEBI:77860 -name: 3-cyano-L-alanine zwitterion -is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +id: CHEBI:90335 +name: alpha-N-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside + +[Term] +id: CHEBI:90336 +name: alpha-N-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:77881 -name: EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor -is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor +id: CHEBI:90337 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-didodecanoyl-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:77922 -name: isopentenol -is_a: CHEBI:33823 ! enol +id: CHEBI:90339 +name: alpha-N-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:77932 -name: tetracycline zwitterion -is_a: CHEBI:27369 ! zwitterion -relationship: has_role CHEBI:33281 ! antimicrobial agent -relationship: has_role CHEBI:35820 ! antiprotozoal drug -relationship: has_role CHEBI:36047 ! antibacterial drug -relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +id: CHEBI:90340 +name: 1,2-didodecanoyl-3-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:17615 ! 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol [Term] -id: CHEBI:7794 -name: phosphate monoester -is_a: CHEBI:25703 ! organic phosphate -is_a: CHEBI:37734 ! phosphoric ester +id: CHEBI:90342 +name: 2,3-di-O-dodecanoyl-1-O-beta-D-galactopyranosyl-sn-glycerol +is_a: CHEBI:61799 ! beta-D-galactopyranosyl diglyceride [Term] -id: CHEBI:77941 -name: EC 3.5.1.4 (amidase) inhibitor -is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor +id: CHEBI:90356 +name: dibenzothiophene sulfone +is_a: CHEBI:23684 ! dibenzothiophenes +is_a: CHEBI:35850 ! sulfone [Term] -id: CHEBI:77956 -name: L-erythro-sphingosine(1+) -is_a: CHEBI:83876 ! cationic sphingoid +id: CHEBI:90357 +name: beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer +is_a: CHEBI:36642 ! glycohexaosylceramide [Term] -id: CHEBI:77962 -name: food antioxidant -is_a: CHEBI:22586 ! antioxidant -is_a: CHEBI:65255 ! food preservative +id: CHEBI:90358 +name: beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:36640 ! glycoheptaosylceramide [Term] -id: CHEBI:77966 -name: food stabiliser -is_a: CHEBI:64047 ! food additive +id: CHEBI:90359 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monododecanoyl-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:77970 -name: food thickening agent -is_a: CHEBI:64047 ! food additive +id: CHEBI:9036 +name: sarpagine +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38958 ! indole alkaloid +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:50996 ! tertiary amino compound [Term] -id: CHEBI:77974 -name: food packaging gas -is_a: CHEBI:64047 ! food additive +id: CHEBI:90360 +name: beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:36640 ! glycoheptaosylceramide [Term] -id: CHEBI:77981 -name: vancomycin aglycone(1-) -is_a: CHEBI:50525 ! phenolate anion -is_a: CHEBI:60334 ! peptide anion +id: CHEBI:90361 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0) +is_a: CHEBI:18163 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine [Term] -id: CHEBI:78003 -name: food bleaching agent -is_a: CHEBI:132717 ! bleaching agent -is_a: CHEBI:64047 ! food additive +id: CHEBI:90362 +name: 2-methylhexenoyl-CoA +is_a: CHEBI:139575 ! monounsaturated fatty acyl-CoA +is_a: CHEBI:19573 ! 2-enoyl-CoA +is_a: CHEBI:25271 ! methyl-branched fatty acyl-CoA +is_a: CHEBI:61907 ! medium-chain fatty acyl-CoA +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:78016 -name: food gelling agent -is_a: CHEBI:64047 ! food additive +id: CHEBI:90376 +name: beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:23075 ! glycotetraosylceramide [Term] -id: CHEBI:78017 -name: food propellant -is_a: CHEBI:64047 ! food additive -is_a: CHEBI:76414 ! propellant +id: CHEBI:90379 +name: beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide [Term] -id: CHEBI:78049 -name: octadecenoate -is_a: CHEBI:2580 ! unsaturated fatty acid anion -is_a: CHEBI:82680 ! monounsaturated fatty acid anion +id: CHEBI:90380 +name: alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide [Term] -id: CHEBI:78072 -name: icosatrienoate -is_a: CHEBI:50860 ! organic molecular entity -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +id: CHEBI:90381 +name: alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide +is_a: CHEBI:36642 ! glycohexaosylceramide [Term] -id: CHEBI:78095 -name: hexadecenoate -is_a: CHEBI:2580 ! unsaturated fatty acid anion -is_a: CHEBI:50860 ! organic molecular entity -is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:82680 ! monounsaturated fatty acid anion +id: CHEBI:90383 +name: alpha-Neu5Gc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:78113 -name: fatty acid anion 3:0 -is_a: CHEBI:58951 ! short-chain fatty acid anion -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90384 +name: alpha-Neu5Gc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:78115 -name: fatty acid anion 4:0 -is_a: CHEBI:58951 ! short-chain fatty acid anion -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90390 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:78116 -name: fatty acid anion 6:0 -is_a: CHEBI:58953 ! saturated fatty acid anion -is_a: CHEBI:59558 ! medium-chain fatty acid anion +id: CHEBI:90392 +name: alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:78117 -name: fatty acid anion 8:0 -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90396 +name: (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one +is_a: CHEBI:22707 ! benzenetriol +is_a: CHEBI:23697 ! dichlorobenzene +is_a: CHEBI:76224 ! aromatic ketone +relationship: has_role CHEBI:75763 ! eukaryotic metabolite [Term] -id: CHEBI:78119 -name: fatty acid anion 12:0 -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90397 +name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:78121 -name: fatty acid anion 14:0 -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90398 +name: (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) +is_a: CHEBI:50525 ! phenolate anion [Term] -id: CHEBI:78122 -name: fatty acid anion 15:0 -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:904 +name: 2,4-diaminopentanoic acid +is_a: CHEBI:35987 ! diamino acid +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] -id: CHEBI:78123 -name: fatty acid anion 16:0 -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90400 +name: alpha-D-GalNAc-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +is_a: CHEBI:23073 ! glycopentaosylceramide [Term] -id: CHEBI:78125 -name: fatty acid anion 18:0 -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90409 +name: 5-hydroxymethyluridine-2'-deoxy-5'-phosphate(2-) +is_a: CHEBI:50860 ! organic molecular entity +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:78128 -name: fatty acid anion 24:0 -is_a: CHEBI:58953 ! saturated fatty acid anion +id: CHEBI:90418 +name: N(6)-D-ribulosyl-L-lysinium residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:78166 -name: 2-lysophosphatidate(2-) -is_a: CHEBI:78172 ! monoacylglycerol 3-phosphate(2-) +id: CHEBI:90420 +name: N(6)-(3-O-phospho-D-ribulosyl)-L-lysinium residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:78172 -name: monoacylglycerol 3-phosphate(2-) -is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) +id: CHEBI:90430 +name: phosphatidylinositol(16:0/20:4) +is_a: CHEBI:136235 ! phosphatidylinositol 36:4 [Term] -id: CHEBI:78185 -name: glycero-3-monophosphate(2-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:90431 +name: phosphatidylinositol(18:0/18:2) +is_a: CHEBI:136236 ! phosphatidylinositol 36:2 [Term] -id: CHEBI:78186 -name: 1-alkyl-2-acyl-glycero-3-phosphocholine -is_a: CHEBI:78189 ! alkylacylglycero-3-phosphocholine +id: CHEBI:90432 +name: phosphatidylinositol(18:0/20:4) +is_a: CHEBI:136239 ! phosphatidylinositol 38:4 +is_a: CHEBI:28874 ! phosphatidylinositol [Term] -id: CHEBI:78189 -name: alkylacylglycero-3-phosphocholine -is_a: CHEBI:36313 ! glycerophosphocholine +id: CHEBI:90433 +name: phosphatidylserine(18:0/18:1) +is_a: CHEBI:136256 ! phosphatidylserine 36:1 [Term] -id: CHEBI:78231 -name: 1,2-diacylglycero-3-phospho-1-inositol(1-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:90434 +name: phosphatidylserine(18:0/18:2) +is_a: CHEBI:136257 ! phosphatidylserine 36:2 [Term] -id: CHEBI:78279 -name: lysophosphatidate 18:1 -is_a: CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) +id: CHEBI:90437 +name: phosphatidylserine(18:1/18:1) +is_a: CHEBI:136257 ! phosphatidylserine 36:2 [Term] -id: CHEBI:78295 -name: food component -is_a: CHEBI:52211 ! physiological role +id: CHEBI:90452 +name: lysophosphatidylethanolamine 16:0 +is_a: CHEBI:64574 ! lysophosphatidylethanolamine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:78298 -name: environmental contaminant -is_a: CHEBI:51086 ! chemical role +id: CHEBI:90453 +name: 1,2-dioctanoyl-3-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:17615 ! 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol [Term] -id: CHEBI:78320 -name: 2-hydroxypropanoic acid -is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid -relationship: has_role CHEBI:83056 ! Daphnia magna metabolite -relationship: has_role CHEBI:84735 ! algal metabolite +id: CHEBI:90456 +name: lysophosphatidylinositol 18:1 +is_a: CHEBI:64931 ! lysophosphatidyl-1D-myo-inositol [Term] -id: CHEBI:78358 -name: Delta(4)-dafachronate -is_a: CHEBI:50160 ! steroid acid anion +id: CHEBI:90457 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-dioctoanoyl-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:78361 -name: lichen metabolite -is_a: CHEBI:25212 ! metabolite +id: CHEBI:90463 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-bis(long-chain acyl)-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:78366 -name: EC 2.7.1.1 (hexokinase) inhibitor -is_a: CHEBI:50916 ! lipid kinase inhibitor -is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor +id: CHEBI:90469 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-2-mono(long-chain acyl)-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:78433 -name: refrigerant -is_a: CHEBI:33232 ! application +id: CHEBI:90475 +name: 3-(beta-D-galactosyl)-2-mono(long-chain acyl)-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid [Term] -id: CHEBI:78444 -name: EC 3.1.1.1 (carboxylesterase) inhibitor -is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor +id: CHEBI:90477 +name: 3-(beta-D-galactosyl)-1,2-bis(long-chain acyl)-sn-glycerol +is_a: CHEBI:17615 ! 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol [Term] -id: CHEBI:78452 -name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) -is_a: CHEBI:79346 ! anionic ganglioside -is_a: CHEBI:88058 ! ganglioside GT1(3-) +id: CHEBI:90481 +name: 2-octanoyl-3-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:90769 ! 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol [Term] -id: CHEBI:78485 -name: ganglioside GM2(1-) -is_a: CHEBI:71502 ! beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:90493 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-2-octoanoyl-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:78547 -name: protein kinase A agonist -is_a: CHEBI:64106 ! protein kinase agonist +id: CHEBI:90499 +name: (7Z,10Z,13Z)-hexadecatrienoate +is_a: CHEBI:90582 ! hexadecatrienoate [Term] -id: CHEBI:78548 -name: adenylate cyclase agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:90501 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(3-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:78574 -name: pyrimidinecarboxylic acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:39447 ! pyrimidines +id: CHEBI:90506 +name: 1,2-di-(9Z,12Z-octadecadienoyl)-3-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:17615 ! 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol [Term] -id: CHEBI:78608 -name: alpha-amino acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:90507 +name: 1-(9Z-octadecenoyl)-2-hexadecanoyl-3-beta-D-galactosyl-sn-glycerol +is_a: CHEBI:17615 ! 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol [Term] -id: CHEBI:78616 -name: carbohydrates and carbohydrate derivatives -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:90510 +name: S-[(2E,6E)-farnesyl]-L-cysteinate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:78630 -name: 9-cis-retinoate -is_a: CHEBI:15036 ! retinoate -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50176 ! keratolytic drug -relationship: has_role CHEBI:63794 ! retinoid X receptor agonist +id: CHEBI:90511 +name: S-[(2E,6E)-farnesyl]-L-cysteine methyl ester residue +is_a: CHEBI:22332 ! alkylamino group [Term] -id: CHEBI:78631 -name: chroman-6-ol -is_a: CHEBI:23229 ! chromanol -is_a: CHEBI:33853 ! phenols +id: CHEBI:90512 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(5-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:78675 -name: fundamental metabolite -is_a: CHEBI:25212 ! metabolite +id: CHEBI:90513 +name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(4-) +is_a: CHEBI:88059 ! ganglioside GQ1(4-) [Term] -id: CHEBI:78679 -name: D-ribose 5-phosphate -is_a: CHEBI:35159 ! ribose monophosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:90514 +name: 1-(beta-D-galactosyl)-monododecanoyl-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid [Term] -id: CHEBI:78682 -name: D-fructose 1,6-bisphosphate -is_a: CHEBI:24970 ! ketohexose bisphosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:90515 +name: 3-(beta-D-galactosyl)-monododecanoyl-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid [Term] -id: CHEBI:78686 -name: Delta(4)-dafachronic acid -is_a: CHEBI:131619 ! C27-steroid -is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid -is_a: CHEBI:78698 ! dafachronic acids +id: CHEBI:90516 +name: L-leucinate residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:78687 -name: D-fructofuranose 2,6-bisphosphate -is_a: CHEBI:24970 ! ketohexose bisphosphate +id: CHEBI:90517 +name: methyl L-leucinato group +is_a: CHEBI:22332 ! alkylamino group [Term] -id: CHEBI:78697 -name: D-fructose 6-phosphate -is_a: CHEBI:88003 ! fructose 6-phosphate -relationship: has_role CHEBI:78675 ! fundamental metabolite +id: CHEBI:9053 +name: sclareol +is_a: CHEBI:36770 ! labdane diterpenoid +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:35718 ! antifungal agent +relationship: has_role CHEBI:48318 ! fragrance +relationship: has_role CHEBI:68495 ! apoptosis inducer +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:78698 -name: dafachronic acids -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:26764 ! steroid hormone -is_a: CHEBI:47788 ! 3-oxo steroid -is_a: CHEBI:47891 ! steroid acid -is_a: CHEBI:50401 ! cholestanoid +id: CHEBI:90546 +name: medium-chain fatty acyl-CoA(4-) +is_a: CHEBI:77636 ! fatty acyl-CoA(4-) [Term] -id: CHEBI:78699 -name: Delta(7)-dafachronic acid -is_a: CHEBI:71598 ! 3-oxo Delta(7)-steroid -is_a: CHEBI:78698 ! dafachronic acids -relationship: has_role CHEBI:75767 ! animal metabolite +id: CHEBI:90549 +name: 1-monohexosyl-2,3-diacylglycerol +is_a: CHEBI:90550 ! monohexosyldiglyceride [Term] -id: CHEBI:78712 -name: tetrahydropyrimidine -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:90550 +name: monohexosyldiglyceride +is_a: CHEBI:33308 ! carboxylic ester +is_a: CHEBI:90551 ! monohexosyldiradylglycerol [Term] -id: CHEBI:78715 -name: 1,4,5,6-tetrahydropyrimidines -is_a: CHEBI:78712 ! tetrahydropyrimidine +id: CHEBI:90551 +name: monohexosyldiradylglycerol +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:78717 -name: UDP-alpha-D-galactosamine(1-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:90553 +name: 1-dihexosyl-2,3-diacylglycerol +is_a: CHEBI:90575 ! dihexosyldiglyceride [Term] -id: CHEBI:78718 -name: UDP-alpha-D-glucosamine(1-) -is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +id: CHEBI:90575 +name: dihexosyldiglyceride +is_a: CHEBI:90576 ! dihexosyldiradylglycerol [Term] -id: CHEBI:7872 -name: oxytocin -is_a: CHEBI:24533 ! heterodetic cyclic peptide -is_a: CHEBI:25905 ! peptide hormone -relationship: has_role CHEBI:35620 ! vasodilator agent -relationship: has_role CHEBI:36063 ! oxytocic +id: CHEBI:90576 +name: dihexosyldiradylglycerol +is_a: CHEBI:35741 ! glycerolipid [Term] -id: CHEBI:78734 -name: tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate -is_a: CHEBI:36243 ! propanoate ester -is_a: CHEBI:37332 ! tropane alkaloid +id: CHEBI:90577 +name: 1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:17615 ! 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:78741 -name: oxidopamine -is_a: CHEBI:22707 ! benzenetriol -is_a: CHEBI:33567 ! catecholamine -is_a: CHEBI:50994 ! primary amino compound -relationship: has_role CHEBI:49103 ! drug metabolite -relationship: has_role CHEBI:50910 ! neurotoxin -relationship: has_role CHEBI:77746 ! human metabolite +id: CHEBI:90578 +name: 2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(beta-D-galactosyl)-sn-glycerol +is_a: CHEBI:18063 ! 2-O-acyl-3-O-beta-D-galactosyl-sn-glycerol [Term] -id: CHEBI:78771 -name: ascarylopyranose -is_a: CHEBI:30944 ! ascarylose -is_a: CHEBI:38131 ! lactol +id: CHEBI:90582 +name: hexadecatrienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:78772 -name: alpha-ascarylopyranose -is_a: CHEBI:78771 ! ascarylopyranose +id: CHEBI:90595 +name: S-[(2E,6E)-farnesyl]-L-cysteino group +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:78802 -name: diarylheptanoid -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:33836 ! benzenoid aromatic compound -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:90596 +name: L-beta-isoaspartate residue +is_a: CHEBI:64898 ! anionic amino-acid residue [Term] -id: CHEBI:78803 -name: nematode metabolite -is_a: CHEBI:75767 ! animal metabolite +id: CHEBI:90598 +name: L-aspartic acid alpha-methyl ester residue +is_a: CHEBI:33708 ! amino-acid residue [Term] -id: CHEBI:78804 -name: Caenorhabditis elegans metabolite -is_a: CHEBI:78803 ! nematode metabolite +id: CHEBI:90602 +name: uridylyl-L-tyrosine(1-) residue +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:78812 -name: ascr#2 -is_a: CHEBI:51867 ! methyl ketone -is_a: CHEBI:79201 ! hydroxy ketone ascaroside -relationship: has_role CHEBI:26013 ! pheromone -relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite +id: CHEBI:90605 +name: monodecanoylglycerol +is_a: CHEBI:17408 ! monoglyceride +is_a: CHEBI:87658 ! decanoate ester [Term] -id: CHEBI:78816 -name: 5-hydroxyhexan-2-one -is_a: CHEBI:17087 ! ketone -is_a: CHEBI:35681 ! secondary alcohol +id: CHEBI:90610 +name: O-[S-2,3-dihydroxybenzoylpantetheine-4'-phosphoryl]-L-serine(1-) residue +is_a: CHEBI:76179 ! O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue [Term] -id: CHEBI:78817 -name: (5R)-5-hydroxyhexan-2-one -is_a: CHEBI:78816 ! 5-hydroxyhexan-2-one +id: CHEBI:90615 +name: 2'-deoxyadenosine 5'-monophosphate(1-) residue +is_a: CHEBI:140284 ! deoxyribonucleotide residue(1-) [Term] -id: CHEBI:78840 -name: olefinic compound -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:90616 +name: N(6)-methyl-2'-deoxyadenosine 5'-monophosphate(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:78902 -name: L-canavanine(1+) -is_a: CHEBI:33719 ! alpha-amino-acid cation +id: CHEBI:90618 +name: C-terminal Gly-Gly-AMP(1-) group +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:78903 -name: mannoprotein -is_a: CHEBI:17089 ! glycoprotein -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +id: CHEBI:90619 +name: C-terminal N-glycylaminoethanethioic S-acid residue +is_a: CHEBI:22332 ! alkylamino group [Term] -id: CHEBI:78947 -name: archaeal metabolite -is_a: CHEBI:75787 ! prokaryotic metabolite +id: CHEBI:9062 +name: scutellarein +is_a: CHEBI:38684 ! tetrahydroxyflavone +relationship: has_role CHEBI:25212 ! metabolite [Term] -id: CHEBI:78954 -name: (omega-1)-hydroxy fatty acid -is_a: CHEBI:24654 ! hydroxy fatty acid -is_a: CHEBI:35681 ! secondary alcohol +id: CHEBI:90628 +name: benzyl ester +is_a: CHEBI:33308 ! carboxylic ester [Term] -id: CHEBI:7896 -name: hexadecanoate +id: CHEBI:90631 +name: 5-hydroperoxy-15-HETE(1-) +is_a: CHEBI:137548 ! hydroperoxy(hydroxy)icosatetraenoate is_a: CHEBI:57560 ! long-chain fatty acid anion -is_a: CHEBI:76619 ! omega-methyl fatty acid anion -is_a: CHEBI:78123 ! fatty acid anion 16:0 -is_a: CHEBI:83955 ! 1,2-saturated fatty acid anion -relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite -relationship: has_role CHEBI:77746 ! human metabolite +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:79008 -name: (R)-nicotinium(1+) +id: CHEBI:90632 +name: 5(S)-HETE(1-) +is_a: CHEBI:131858 ! HETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion + +[Term] +id: CHEBI:9066 +name: L-adenosylselenomethionine +is_a: CHEBI:22260 ! adenosines is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +is_a: CHEBI:26640 ! selenomethionines +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:79020 -name: alpha,beta-unsaturated monocarboxylic acid -is_a: CHEBI:25384 ! monocarboxylic acid +id: CHEBI:90675 +name: ribonucleotide residue(1-) +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:79048 -name: L-glucuronic acid -is_a: CHEBI:24298 ! glucuronic acid +id: CHEBI:90676 +name: 2'-O-methylribonucleotide(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:79049 -name: L-glucopyranuronic acid -is_a: CHEBI:79048 ! L-glucuronic acid +id: CHEBI:9068 +name: Se-methylselenocysteine +is_a: CHEBI:26632 ! selenocysteines +is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +relationship: has_role CHEBI:35610 ! antineoplastic agent +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:79054 -name: D-arabinofuranose -is_a: CHEBI:17108 ! D-arabinose +id: CHEBI:90680 +name: 12(S)-HETE(1-) +is_a: CHEBI:131858 ! HETE anion +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:79056 -name: plasticiser -is_a: CHEBI:33232 ! application +id: CHEBI:90688 +name: metformin(1+) +is_a: CHEBI:60251 ! guanidinium ion [Term] -id: CHEBI:79057 -name: hercynylcysteine sulfoxide -is_a: CHEBI:22063 ! sulfoxide -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:83824 ! L-cysteine derivative -is_a: CHEBI:84076 ! L-histidine derivative -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:90694 +name: 12(S)-HHTrE(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion [Term] -id: CHEBI:79070 -name: hercynylselenocysteine -is_a: CHEBI:26629 ! selenoamino acid -is_a: CHEBI:35284 ! ammonium betaine -is_a: CHEBI:84076 ! L-histidine derivative -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:90696 +name: thromboxane B2(1-) +is_a: CHEBI:62945 ! thromboxane anion [Term] -id: CHEBI:79071 -name: selenoneine -is_a: CHEBI:22860 ! amino-acid betaine -is_a: CHEBI:84076 ! L-histidine derivative -relationship: has_role CHEBI:22586 ! antioxidant -relationship: has_role CHEBI:76507 ! marine metabolite -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:90697 +name: 11-oxo-ETE(1-) +is_a: CHEBI:131859 ! oxo-ETE anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:79081 -name: cyclic 2,3-bisphospho-D-glycerate(3-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:90707 +name: 20-hydroxylipoxin A4(1-) +is_a: CHEBI:67022 ! lipoxin anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:79091 -name: EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor -is_a: CHEBI:37699 ! protein kinase inhibitor -is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor +id: CHEBI:90708 +name: retinoic acid receptor modulator +is_a: CHEBI:90709 ! nuclear receptor modulator [Term] -id: CHEBI:7916 -name: pantothenic acid -is_a: CHEBI:25848 ! pantothenic acids -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:90709 +name: nuclear receptor modulator +is_a: CHEBI:90710 ! receptor modulator [Term] -id: CHEBI:79201 -name: hydroxy ketone ascaroside -is_a: CHEBI:79202 ! ascaroside +id: CHEBI:90710 +name: receptor modulator +is_a: CHEBI:23888 ! drug [Term] -id: CHEBI:79202 -name: ascaroside -is_a: CHEBI:24400 ! glycoside -is_a: CHEBI:35315 ! deoxy hexoside +id: CHEBI:90711 +name: 20-hydroxylipoxin B4(1-) +is_a: CHEBI:67022 ! lipoxin anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:79208 -name: beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide -is_a: CHEBI:63415 ! glycodiaosylceramide +id: CHEBI:90715 +name: 5,20-DiHETE(1-) +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:79209 -name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide -is_a: CHEBI:36544 ! sialodiosylceramide +id: CHEBI:90716 +name: 8-HETE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:79210 -name: alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:90717 +name: 8,20-DiHETE(1-) +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:79217 -name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide -is_a: CHEBI:36541 ! sialotriaosylceramide +id: CHEBI:90718 +name: 12-HETE(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion [Term] -id: CHEBI:79218 -name: N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:90719 +name: 12,20-DiHETE(1-) +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:79313 -name: glycosinolic acid -is_a: CHEBI:25704 ! organic sulfate -is_a: CHEBI:35275 ! S-glycosyl compound -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:90720 +name: 20-oxoleukotriene B4(1-) +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:62942 ! leukotriene anion +is_a: CHEBI:76309 ! omega-oxo fatty acid anion [Term] -id: CHEBI:79315 -name: alkenylglucosinolic acid -is_a: CHEBI:79316 ! glucosinolic acid +id: CHEBI:90722 +name: 20-hydroxy-20-oxoleukotriene B4(2-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:62942 ! leukotriene anion [Term] -id: CHEBI:79316 -name: glucosinolic acid -is_a: CHEBI:136440 ! beta-D-thioglucoside -is_a: CHEBI:79313 ! glycosinolic acid -relationship: has_role CHEBI:76924 ! plant metabolite +id: CHEBI:90723 +name: 6-trans-leukotriene B4(1-) +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62942 ! leukotriene anion [Term] -id: CHEBI:79319 -name: gluconapin -is_a: CHEBI:79315 ! alkenylglucosinolic acid +id: CHEBI:90725 +name: very long-chain 3-oxoacyl-CoA(4-) +is_a: CHEBI:90726 ! 3-oxoacyl-CoA(4-) +is_a: CHEBI:90736 ! very long-chain acyl-CoA(4-) [Term] -id: CHEBI:7934 -name: paromomycin -is_a: CHEBI:22479 ! amino cyclitol glycoside -is_a: CHEBI:22507 ! aminoglycoside antibiotic -relationship: has_role CHEBI:35442 ! antiparasitic agent -relationship: has_role CHEBI:35443 ! anthelminthic drug -relationship: has_role CHEBI:35820 ! antiprotozoal drug -relationship: has_role CHEBI:36047 ! antibacterial drug +id: CHEBI:90726 +name: 3-oxoacyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:79346 -name: anionic ganglioside -is_a: CHEBI:63551 ! carbohydrate acid derivative anion +id: CHEBI:90732 +name: 20-hydroxy-6-trans-leukotriene B4(1-) +is_a: CHEBI:62942 ! leukotriene anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:79348 -name: hydroxy-alkenylglucosinolic acid -is_a: CHEBI:79316 ! glucosinolic acid +id: CHEBI:90736 +name: very long-chain acyl-CoA(4-) +is_a: CHEBI:58342 ! acyl-CoA(4-) [Term] -id: CHEBI:79350 -name: xi-progoitrin -is_a: CHEBI:35681 ! secondary alcohol -is_a: CHEBI:79348 ! hydroxy-alkenylglucosinolic acid +id: CHEBI:90737 +name: 5-HEPE(1-) +is_a: CHEBI:131874 ! HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:79352 -name: progoitrin -is_a: CHEBI:79350 ! xi-progoitrin +id: CHEBI:90740 +name: dihydronaphthalenes +is_a: CHEBI:36785 ! carbobicyclic compound [Term] -id: CHEBI:79364 -name: indolylmethylglucosinolic acid -is_a: CHEBI:79316 ! glucosinolic acid +id: CHEBI:90749 +name: antidote to cyanide poisoning +is_a: CHEBI:50247 ! antidote [Term] -id: CHEBI:79387 -name: trivalent inorganic anion -is_a: CHEBI:24834 ! inorganic anion +id: CHEBI:90761 +name: 2-deoxy-D-ribofuranose +is_a: CHEBI:23635 ! deoxypentose +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:79388 -name: divalent inorganic anion -is_a: CHEBI:24834 ! inorganic anion +id: CHEBI:90762 +name: N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine(2-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:79389 -name: monovalent inorganic anion -is_a: CHEBI:24834 ! inorganic anion +id: CHEBI:90763 +name: N-acetyl-D-glucosaminyl-(1->4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine(2-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:79516 -name: Nonylphenol -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:90768 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monooctanoyl-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:8005 -name: peptidoglycan -is_a: CHEBI:86469 ! peptidoglycosaminoglycan +id: CHEBI:90769 +name: 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid +is_a: CHEBI:63367 ! monosaccharide derivative [Term] -id: CHEBI:8028 -name: perphenazine -is_a: CHEBI:36683 ! organochlorine compound -is_a: CHEBI:38093 ! phenothiazines -is_a: CHEBI:46845 ! N-alkylpiperazine -is_a: CHEBI:46851 ! N-(2-hydroxyethyl)piperazine -relationship: has_role CHEBI:37930 ! phenothiazine antipsychotic drug -relationship: has_role CHEBI:48561 ! dopaminergic antagonist -relationship: has_role CHEBI:50919 ! antiemetic +id: CHEBI:90770 +name: 3-(beta-D-galactosyl)mono(long-chain acyl)-sn-glycerol +is_a: CHEBI:24145 ! galactoglycerolipid +is_a: CHEBI:63367 ! monosaccharide derivative [Term] -id: CHEBI:80291 -name: aliphatic nitrile -is_a: CHEBI:18379 ! nitrile +id: CHEBI:90772 +name: 12(S)-HpEPE(1-) +is_a: CHEBI:131876 ! hydroperoxyicosapentaenoate +is_a: CHEBI:78078 ! 12-HPEPE(1-) [Term] -id: CHEBI:80308 -name: Substance P -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:90774 +name: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-mono(long-chain acyl)-sn-glycerol +is_a: CHEBI:24385 ! glycoglycerolipid +is_a: CHEBI:63353 ! disaccharide derivative [Term] -id: CHEBI:80690 -name: Thyroglobulin triiodothyronine -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:90776 +name: 11-oxo-ETE +is_a: CHEBI:51689 ! enone +is_a: CHEBI:61704 ! oxoicosatetraenoic acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:8075 -name: phenoxyacetic acid -is_a: CHEBI:25384 ! monocarboxylic acid -is_a: CHEBI:35618 ! aromatic ether -relationship: has_role CHEBI:35219 ! plant growth retardant -relationship: has_role CHEBI:76956 ! Aspergillus metabolite -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:90778 +name: C-terminal Gly-Gly(1-) residue +is_a: CHEBI:64775 ! organic anionic group [Term] -id: CHEBI:8116 -name: phorbol -is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone -is_a: CHEBI:26878 ! tertiary alcohol -is_a: CHEBI:3992 ! cyclic ketone -is_a: CHEBI:51689 ! enone -is_a: CHEBI:52557 ! tetracyclic diterpenoid +id: CHEBI:90779 +name: S-substitued glutathione(1-) +is_a: CHEBI:60334 ! peptide anion [Term] -id: CHEBI:81567 -name: thyroid stimulating hormone -is_a: CHEBI:17089 ! glycoprotein +id: CHEBI:90781 +name: 13-oxo-9Z,11E-ODE(1-) +is_a: CHEBI:133556 ! oxooctadecadienoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:81667 -name: 2-hydroxy-5-methylquinone -is_a: CHEBI:67273 ! monohydroxy-1,4-benzoquinones +id: CHEBI:90782 +name: C-terminal proteinogenic amino-acid residue(1-) +is_a: CHEBI:35416 ! alpha-amino-acid residue anion [Term] -id: CHEBI:8225 -name: pinoresinol -is_a: CHEBI:134251 ! guaiacols -is_a: CHEBI:25036 ! lignan -is_a: CHEBI:26195 ! polyphenol -is_a: CHEBI:47790 ! furofuran +id: CHEBI:90783 +name: C-terminal S-(Gly-Gly)-L-Cys zwitterion residue +is_a: CHEBI:64768 ! zwitterionic group [Term] -id: CHEBI:82631 -name: N-threonyl-glycosylphosphatidylinositolethanolamine -is_a: CHEBI:24409 ! glycosylphosphatidylinositolethanolamine +id: CHEBI:90784 +name: aurachin B(1-) +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:82632 -name: phytochrome chromophore -is_a: CHEBI:23240 ! chromophore +id: CHEBI:90785 +name: 4-hydroxy-2-methyl-3-oxo-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-1-oxide +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:26508 ! quinoline N-oxide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:82639 -name: alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:90786 +name: 2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol +is_a: CHEBI:26508 ! quinoline N-oxide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:82663 -name: elemental iron -is_a: CHEBI:24873 ! iron molecular entity -is_a: CHEBI:33259 ! elemental molecular entity +id: CHEBI:90790 +name: 18(R)-HETE(1-) +is_a: CHEBI:63590 ! 18-HETE(1-) +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:82680 -name: monounsaturated fatty acid anion -is_a: CHEBI:2580 ! unsaturated fatty acid anion -is_a: CHEBI:50860 ! organic molecular entity +id: CHEBI:90791 +name: 3-(1-hydroxyethyl)bacteriochlorophyllide a(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:82705 -name: hercynylselenocysteine zwitterion -is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +id: CHEBI:90792 +name: 3-(1-hydroxyethyl)chlorophyllide a(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:82706 -name: hercynylcysteine sulfoxide zwitterion -is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion +id: CHEBI:90793 +name: prostaglandin H1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +is_a: CHEBI:62933 ! oxylipin anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:82707 -name: ergothioneine thione form -is_a: CHEBI:139340 ! 1,3-dihydroimidazole-2-thiones -is_a: CHEBI:22860 ! amino-acid betaine -is_a: CHEBI:84076 ! L-histidine derivative -relationship: has_role CHEBI:76206 ! xenobiotic metabolite -relationship: has_role CHEBI:76924 ! plant metabolite -relationship: has_role CHEBI:76946 ! fungal metabolite +id: CHEBI:90794 +name: 3-acetylchlorophyllide a(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:8273 -name: plumbagin -is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone -is_a: CHEBI:33853 ! phenols -relationship: has_role CHEBI:25212 ! metabolite -relationship: has_role CHEBI:35610 ! antineoplastic agent -relationship: has_role CHEBI:50249 ! anticoagulant -relationship: has_role CHEBI:50847 ! immunological adjuvant +id: CHEBI:90795 +name: bacteriochlorophyllide a(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:82803 -name: opine -is_a: CHEBI:36963 ! organooxygen compound +id: CHEBI:90796 +name: D-erythrulose 4-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:82891 -name: glucocorticoid receptor antagonist -is_a: CHEBI:48706 ! antagonist +id: CHEBI:90797 +name: 19-hydroxyprostaglandin H2(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +is_a: CHEBI:62933 ! oxylipin anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:82892 -name: 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole -is_a: CHEBI:23697 ! dichlorobenzene -is_a: CHEBI:24780 ! imidazoles -is_a: CHEBI:25698 ! ether +id: CHEBI:90798 +name: L-erythrulose 4-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:82894 -name: (R)-miconazole -is_a: CHEBI:82892 ! 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole +id: CHEBI:90799 +name: dipeptide zwitterion +is_a: CHEBI:60466 ! peptide zwitterion [Term] -id: CHEBI:82897 -name: (S)-miconazole -is_a: CHEBI:82892 ! 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole +id: CHEBI:90800 +name: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:23075 ! glycotetraosylceramide [Term] -id: CHEBI:8290 -name: Poly(G) -is_a: CHEBI:60027 ! polymer +id: CHEBI:90801 +name: 19-hydroxyprostaglandin H1(1-) +is_a: CHEBI:59326 ! prostaglandin carboxylic acid anion +is_a: CHEBI:62933 ! oxylipin anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83038 -name: Daphnia galeata metabolite -is_a: CHEBI:83057 ! Daphnia metabolite +id: CHEBI:90802 +name: alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide [Term] -id: CHEBI:83039 -name: crustacean metabolite -is_a: CHEBI:75767 ! animal metabolite +id: CHEBI:90803 +name: alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:23073 ! glycopentaosylceramide [Term] -id: CHEBI:83056 -name: Daphnia magna metabolite -is_a: CHEBI:83057 ! Daphnia metabolite +id: CHEBI:90810 +name: 5(S),11(R)-DiHETE(1-) +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83057 -name: Daphnia metabolite -is_a: CHEBI:83039 ! crustacean metabolite +id: CHEBI:90811 +name: beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide +is_a: CHEBI:23073 ! glycopentaosylceramide +is_a: CHEBI:24121 ! fucosyl oligoglycosylceramide [Term] -id: CHEBI:83139 -name: long-chain fatty acyl-CoA(4-) -is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +id: CHEBI:90812 +name: 5(S),15(R)-DiHETE(1-) +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83146 -name: Daphnia tenebrosa metabolite -is_a: CHEBI:83057 ! Daphnia metabolite +id: CHEBI:90813 +name: 5(S),15(S)-DiHETE(1-) +is_a: CHEBI:131877 ! dihydroxyicosatetraenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:83191 -name: phosphatidylinositol bisphosphate(5-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:90814 +name: 17(R)-HDoHE(1-) +is_a: CHEBI:131867 ! hydroxydocosahexaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83193 -name: phosphatidylinositol trisphosphate(7-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:90815 +name: (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate +is_a: CHEBI:131867 ! hydroxydocosahexaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83228 -name: L-alpha-amino acid residue -is_a: CHEBI:33710 ! alpha-amino-acid residue +id: CHEBI:90818 +name: 18(R)-HEPE(1-) +is_a: CHEBI:131874 ! HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:75771 ! mouse metabolite [Term] -id: CHEBI:83229 -name: amino acid opine -is_a: CHEBI:82803 ! opine -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:90819 +name: 15(R)-HEPE(1-) +is_a: CHEBI:131874 ! HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83243 -name: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1D-myo-inositol 3,4,5-triphosphate)(7-) -is_a: CHEBI:57836 ! 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) +id: CHEBI:90820 +name: 11(R)-HEPE(1-) +is_a: CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion +is_a: CHEBI:131874 ! HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:83317 -name: sterol biosynthesis inhibitor -is_a: CHEBI:35222 ! inhibitor -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:90821 +name: 15-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83347 -name: organosulfonic ester -is_a: CHEBI:33424 ! sulfur oxoacid derivative -is_a: CHEBI:35701 ! ester +id: CHEBI:90822 +name: 5-HPETE(1-) +is_a: CHEBI:59720 ! HPETE anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83348 -name: chlorophyllide a(2-) -is_a: CHEBI:139292 ! chlorophyllide(2-) -is_a: CHEBI:35757 ! monocarboxylic acid anion -is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +id: CHEBI:90823 +name: 13-HPODE(1-) +is_a: CHEBI:131862 ! HPODE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:64012 ! hydroperoxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83390 -name: pentachlorobenzenes -is_a: CHEBI:23132 ! chlorobenzenes +id: CHEBI:90824 +name: (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate +is_a: CHEBI:133654 ! hydroxydocosapentaenoate +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83399 -name: marine xenobiotic metabolite -is_a: CHEBI:76206 ! xenobiotic metabolite -is_a: CHEBI:76507 ! marine metabolite +id: CHEBI:90825 +name: 18-HEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83403 -name: monochlorobenzenes -is_a: CHEBI:23132 ! chlorobenzenes +id: CHEBI:90826 +name: (5S)-hydroperoxy-18-hydroxy-EPE(1-) +is_a: CHEBI:133653 ! hydroperoxy(hydroxy)icosapentaenoate +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83414 -name: alkyl sulfate(1-) -is_a: CHEBI:58958 ! organosulfate oxoanion +id: CHEBI:90832 +name: NMNH(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:83563 -name: long-chain alkane -is_a: CHEBI:18310 ! alkane +id: CHEBI:90833 +name: 5-hydroperoxy-15-HETE +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:23899 ! icosanoid +is_a: CHEBI:64009 ! hydroperoxy fatty acid +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:83565 -name: (trifluoromethyl)benzenes -is_a: CHEBI:22712 ! benzenes -is_a: CHEBI:37143 ! organofluorine compound -relationship: has_part CHEBI:50127 ! trifluoromethyl group +id: CHEBI:90837 +name: 3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine +is_a: CHEBI:21957 ! O-glycosyl-L-serine +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid [Term] -id: CHEBI:83575 -name: monofluorobenzenes -is_a: CHEBI:35496 ! fluorobenzenes +id: CHEBI:90838 +name: O-(N-acetyl-beta-D-glucosaminyl)-L-serine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:83628 -name: N-acylammonia -is_a: CHEBI:37622 ! carboxamide +id: CHEBI:90839 +name: 3-O-(N-acetyl-beta-D-glucosaminyl)-L-threonine +is_a: CHEBI:21958 ! O-glycosyl-L-threonine +is_a: CHEBI:63367 ! monosaccharide derivative +is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid [Term] -id: CHEBI:83811 -name: proteinogenic amino acid derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:90840 +name: O-(N-acetyl-beta-D-glucosaminyl)-L-threonine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:83812 -name: non-proteinogenic amino acid derivative -is_a: CHEBI:83821 ! amino acid derivative +id: CHEBI:90849 +name: geranylgeranyl bacteriochlorophyllide a(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:83813 -name: proteinogenic amino acid -is_a: CHEBI:33575 ! carboxylic acid -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:90850 +name: 13(S)-HODE(1-) +is_a: CHEBI:133819 ! 13-HODE(1-) [Term] -id: CHEBI:83818 -name: morphinane-like compound -is_a: CHEBI:38101 ! organonitrogen heterocyclic compound +id: CHEBI:90856 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(2-) +is_a: CHEBI:88057 ! ganglioside GD1(2-) [Term] -id: CHEBI:83820 -name: non-proteinogenic amino acid -is_a: CHEBI:33709 ! amino acid +id: CHEBI:90857 +name: bacteriochlorophyllide g(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:83821 -name: amino acid derivative -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:90858 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-N-acylsphingosine(2-) +is_a: CHEBI:90859 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-ceramide(2-) [Term] -id: CHEBI:83822 -name: non-proteinogenic L-alpha-amino acid -is_a: CHEBI:15705 ! L-alpha-amino acid -is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid +id: CHEBI:90859 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-ceramide(2-) +is_a: CHEBI:79346 ! anionic ganglioside [Term] -id: CHEBI:83824 -name: L-cysteine derivative -is_a: CHEBI:23509 ! cysteine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90862 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(4-) +is_a: CHEBI:88059 ! ganglioside GQ1(4-) [Term] -id: CHEBI:8386 -name: pregnane -is_a: CHEBI:35508 ! steroid fundamental parent +id: CHEBI:90866 +name: 14-HDoHE(1-) +is_a: CHEBI:131867 ! hydroxydocosahexaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83876 -name: cationic sphingoid -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:90867 +name: 14-oxo-DoHE(1-) +is_a: CHEBI:133526 ! oxodocosahexaenoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:83925 -name: non-proteinogenic alpha-amino acid -is_a: CHEBI:33704 ! alpha-amino acid -is_a: CHEBI:83820 ! non-proteinogenic amino acid +id: CHEBI:90868 +name: validamycin B +is_a: CHEBI:26191 ! polyol +is_a: CHEBI:50995 ! secondary amino compound +is_a: CHEBI:83745 ! validamycins +is_a: CHEBI:87114 ! antibiotic fungicide [Term] -id: CHEBI:83955 -name: 1,2-saturated fatty acid anion -is_a: CHEBI:28868 ! fatty acid anion +id: CHEBI:90869 +name: validamycin A(1+) +is_a: CHEBI:35274 ! ammonium ion +relationship: has_role CHEBI:33281 ! antimicrobial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:83757 ! EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor +relationship: has_role CHEBI:83760 ! EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor +relationship: has_role CHEBI:83762 ! EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor +relationship: has_role CHEBI:86328 ! antifungal agrochemical [Term] -id: CHEBI:83965 -name: L-arginine derivative -is_a: CHEBI:22617 ! arginine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90870 +name: 3-iodo-L-tyrosine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:83966 -name: D-arginine derivative -is_a: CHEBI:22617 ! arginine derivative -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +id: CHEBI:90871 +name: 3,5-diiodo-L-tyrosine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:83972 -name: 3-methyl fatty acid anion -is_a: CHEBI:67013 ! methyl-branched fatty acid anion +id: CHEBI:90872 +name: L-thyroxine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:83978 -name: L-aspartic acid derivative -is_a: CHEBI:22661 ! aspartic acid derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90873 +name: dehydroalanine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue [Term] -id: CHEBI:83982 -name: L-glutamic acid derivative -is_a: CHEBI:24315 ! glutamic acid derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90874 +name: 3,3',5-triiodo-L-thyronine residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:83983 -name: D-glutamic acid derivative -is_a: CHEBI:24315 ! glutamic acid derivative -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +id: CHEBI:90882 +name: 3,4-dichlorocatechol +is_a: CHEBI:23699 ! dichlorocatechol +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:83991 -name: imidothioate -is_a: CHEBI:16385 ! organic sulfide -is_a: CHEBI:35352 ! organonitrogen compound +id: CHEBI:90883 +name: 2,3-dichloromuconate(2-) +is_a: CHEBI:38424 ! dichloromuconate(2-) [Term] -id: CHEBI:84046 -name: pyoverdine -is_a: CHEBI:25676 ! oligopeptide -is_a: CHEBI:26507 ! dihydroxyquinoline -relationship: has_role CHEBI:26130 ! biological pigment -relationship: has_role CHEBI:26672 ! siderophore -relationship: has_role CHEBI:76969 ! bacterial metabolite +id: CHEBI:90884 +name: 2'-hydroxyrifampicin(1-) +is_a: CHEBI:25697 ! organic cation +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:84055 -name: pentose phosphate -is_a: CHEBI:33447 ! phospho sugar -is_a: CHEBI:63409 ! pentose derivative +id: CHEBI:90885 +name: 1,3,7-trimethyl-5-hydroxyisouric acid +is_a: CHEBI:25810 ! oxopurine +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:84076 -name: L-histidine derivative -is_a: CHEBI:24599 ! histidine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90886 +name: 2-hydroxy-6-oxo-2,4-heptadienoic acid +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid +is_a: CHEBI:35871 ! oxo monocarboxylic acid +is_a: CHEBI:51689 ! enone +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:84087 -name: human urinary metabolite -is_a: CHEBI:77746 ! human metabolite +id: CHEBI:90887 +name: 2-hydroxy-6-oxo-2,4-heptadienoate +is_a: CHEBI:35976 ! 6-oxo monocarboxylic acid anion +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite [Term] -id: CHEBI:84118 -name: ganglioside GM3 -is_a: CHEBI:15681 ! alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide -is_a: CHEBI:36544 ! sialodiosylceramide +id: CHEBI:90888 +name: aurachin C +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:27171 ! organic heterobicyclic compound +is_a: CHEBI:90918 ! C-type aurachin +relationship: has_role CHEBI:33282 ! antibacterial agent +relationship: has_role CHEBI:76969 ! bacterial metabolite +relationship: has_role CHEBI:90921 ! EC 1.8.5.4 (sulfide:quinone reductase) inhibitor [Term] -id: CHEBI:84121 -name: L-methionine derivative -is_a: CHEBI:25230 ! methionine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90889 +name: aurachin C epoxide +is_a: CHEBI:24709 ! hydroxylamines +is_a: CHEBI:26979 ! organic heterotricyclic compound +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:76224 ! aromatic ketone [Term] -id: CHEBI:84123 -name: advanced glycation end-product -is_a: CHEBI:63299 ! carbohydrate derivative +id: CHEBI:90890 +name: 3-farnesyl-3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:23765 ! quinolone +is_a: CHEBI:26508 ! quinoline N-oxide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76969 ! bacterial metabolite + +[Term] +id: CHEBI:90891 +name: 2-imino-3-(indol-3-yl)propanoic acid +is_a: CHEBI:23591 ! dehydroamino acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:27164 ! tryptophan derivative +is_a: CHEBI:33272 ! ketimine +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84124 -name: D-tyrosine derivative -is_a: CHEBI:62761 ! tyrosine derivative -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative -is_a: CHEBI:84143 ! D-phenylalanine derivative +id: CHEBI:90892 +name: 2-imino-3-(indol-3-yl)propanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84135 -name: L-serine derivative -is_a: CHEBI:26649 ! serine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90893 +name: (-)-bursehernin +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38298 ! benzodioxoles +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:84139 -name: myo-inositol phosphate(2-) -is_a: CHEBI:67140 ! phosphate monoester dianion -is_a: CHEBI:76301 ! inositol phosphate oxoanion +id: CHEBI:90894 +name: (-)-5'-desmethylyatein +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:38298 ! benzodioxoles +is_a: CHEBI:51681 ! dimethoxybenzene +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:84143 -name: D-phenylalanine derivative -is_a: CHEBI:25985 ! phenylalanine derivative -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +id: CHEBI:90896 +name: (-)-pluviatolide +is_a: CHEBI:22950 ! butan-4-olide +is_a: CHEBI:25036 ! lignan +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:35618 ! aromatic ether +is_a: CHEBI:38298 ! benzodioxoles +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:84144 -name: L-phenylalanine derivative -is_a: CHEBI:25985 ! phenylalanine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90897 +name: protoviolaceinic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26454 ! pyrrolecarboxylic acid +is_a: CHEBI:84729 ! hydroxyindoles [Term] -id: CHEBI:84186 -name: L-proline derivative -is_a: CHEBI:26273 ! proline derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90898 +name: protoviolaceinate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:84189 -name: L-threonine derivative -is_a: CHEBI:26987 ! threonine derivative -is_a: CHEBI:83811 ! proteinogenic amino acid derivative +id: CHEBI:90899 +name: violaceinic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26454 ! pyrrolecarboxylic acid +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84196 -name: 3-hydroxy fatty acid anion -is_a: CHEBI:59835 ! hydroxy fatty acid anion +id: CHEBI:90900 +name: violaceinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84264 -name: EC 3.5.1.19 (nicotinamidase) inhibitor -is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor +id: CHEBI:90901 +name: protoasukamycin +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:33823 ! enol +is_a: CHEBI:33853 ! phenols +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:51751 ! enamide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84276 -name: methyl phenyl(piperidin-2-yl)acetate -is_a: CHEBI:25248 ! methyl ester -is_a: CHEBI:26151 ! piperidines -is_a: CHEBI:85139 ! beta-amino acid ester +id: CHEBI:90902 +name: 4-hydroxyprotoasukamycin +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:26188 ! polyketide +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:33823 ! enol +is_a: CHEBI:3992 ! cyclic ketone +is_a: CHEBI:51689 ! enone +is_a: CHEBI:51751 ! enamide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84387 -name: (1s,4s)-prephenic acid -is_a: CHEBI:16666 ! prephenic acid +id: CHEBI:90903 +name: asperlicin E +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35412 ! aminal +is_a: CHEBI:52157 ! organic heteroheptacyclic compound +is_a: CHEBI:91003 ! asperlicins +relationship: has_role CHEBI:73296 ! cholecystokinin antagonist +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:84404 -name: ceramide 1-phosphate(2-) -is_a: CHEBI:62643 ! anionic phospholipid +id: CHEBI:90904 +name: asperlicin C +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:38163 ! organic heterotetracyclic compound +is_a: CHEBI:91003 ! asperlicins +relationship: has_role CHEBI:73296 ! cholecystokinin antagonist +relationship: has_role CHEBI:76956 ! Aspergillus metabolite [Term] -id: CHEBI:84410 -name: sphingoid base(1+) -is_a: CHEBI:83876 ! cationic sphingoid +id: CHEBI:90906 +name: protodeoxyviolaceinic acid +is_a: CHEBI:24828 ! indoles +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26454 ! pyrrolecarboxylic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84497 -name: (omega-1)-hydroxy fatty acid anion -is_a: CHEBI:59835 ! hydroxy fatty acid anion +id: CHEBI:90907 +name: protodeoxyviolaceinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:8454 -name: progoitrin(1-) -is_a: CHEBI:47798 ! xi-progoitrin(1-) +id: CHEBI:90909 +name: deoxyviolaceinic acid +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:26454 ! pyrrolecarboxylic acid +is_a: CHEBI:84729 ! hydroxyindoles +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84587 -name: 2,3-saturated fatty aldehyde -is_a: CHEBI:35746 ! fatty aldehyde +id: CHEBI:90910 +name: deoxyviolaceinate +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84688 -name: Fe(III)-complexed hydroxamate siderophore -is_a: CHEBI:28163 ! iron(III) hydroxamate -is_a: CHEBI:84734 ! Fe(III)-complexed siderophore +id: CHEBI:90915 +name: aurachin +is_a: CHEBI:26513 ! quinolines [Term] -id: CHEBI:84729 -name: hydroxyindoles -is_a: CHEBI:24828 ! indoles -is_a: CHEBI:33822 ! organic hydroxy compound +id: CHEBI:90918 +name: C-type aurachin +is_a: CHEBI:90915 ! aurachin [Term] -id: CHEBI:84734 -name: Fe(III)-complexed siderophore -is_a: CHEBI:5975 ! iron chelate +id: CHEBI:90920 +name: EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitor +is_a: CHEBI:76735 ! EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor [Term] -id: CHEBI:84735 -name: algal metabolite -is_a: CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:90921 +name: EC 1.8.5.4 (sulfide:quinone reductase) inhibitor +is_a: CHEBI:90920 ! EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitor [Term] -id: CHEBI:84745 -name: amiloride(1+) -is_a: CHEBI:25697 ! organic cation +id: CHEBI:9093 +name: selenocysteine +is_a: CHEBI:33704 ! alpha-amino acid +relationship: has_part CHEBI:50327 ! selanylmethyl group +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:84880 -name: GDP-D-mannose -is_a: CHEBI:21168 ! GDP-mannose +id: CHEBI:90940 +name: N-acetyl-L-phosphinothricin(2-) +is_a: CHEBI:58879 ! N-acetylphosphinothricin(2-) [Term] -id: CHEBI:84881 -name: GDP-D-mannose(2-) +id: CHEBI:90944 +name: dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-) is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:84973 -name: oleoyl-sn-glycero-3-phosphate(2-) -is_a: CHEBI:78279 ! lysophosphatidate 18:1 +id: CHEBI:90945 +name: dTDP-4-ammonio-2,3,4,6-tetradeoxy-alpha-D-glucose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:84981 -name: 2-aminoadipate(2-) -is_a: CHEBI:28965 ! dicarboxylic acid dianion -is_a: CHEBI:33558 ! alpha-amino-acid anion +id: CHEBI:90946 +name: dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:8504 -name: prostanoic acid -is_a: CHEBI:15904 ! long-chain fatty acid -is_a: CHEBI:26607 ! saturated fatty acid -is_a: CHEBI:35744 ! carbocyclic fatty acid +id: CHEBI:90947 +name: dTDP-alpha-D-forosamine(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:85046 -name: skin lightening agent -is_a: CHEBI:64857 ! cosmetic +id: CHEBI:90955 +name: bacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:85048 -name: EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor -is_a: CHEBI:76737 ! EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor +id: CHEBI:90956 +name: 2-exo-hydroxy-1,4-cineole +is_a: CHEBI:23243 ! cineole +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:85049 -name: EC 1.10.3.1 (catechol oxidase) inhibitor -is_a: CHEBI:85048 ! EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor +id: CHEBI:9096 +name: L-selenohomocysteine +is_a: CHEBI:26629 ! selenoamino acid +relationship: has_role CHEBI:75768 ! mammalian metabolite [Term] -id: CHEBI:85050 -name: EC 1.10.3.2 (laccase) inhibitor -is_a: CHEBI:85048 ! EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor +id: CHEBI:90963 +name: 3-vinylbacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:85051 -name: EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor -is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor +id: CHEBI:90964 +name: 8,12-diethyl-3-vinylbacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:85052 -name: EC 1.4.3.3 (D-amino-acid oxidase) inhibitor -is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor +id: CHEBI:90965 +name: bacteriochlorophyllide c(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:85139 -name: beta-amino acid ester -is_a: CHEBI:46668 ! amino acid ester -is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative +id: CHEBI:90966 +name: 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:85171 -name: sphingoid-1-phosphocholine(1+) -is_a: CHEBI:35267 ! quaternary ammonium ion +id: CHEBI:90967 +name: 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:85184 -name: dihydroxycholanic acid -is_a: CHEBI:33822 ! organic hydroxy compound -is_a: CHEBI:36278 ! cholanic acids +id: CHEBI:90968 +name: 3-vinyl-bacteriochlorophyllide d(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:85234 -name: human blood serum metabolite -is_a: CHEBI:77746 ! human metabolite +id: CHEBI:90969 +name: 7-hydroxybacteriochlorophyllide c(1-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion [Term] -id: CHEBI:85413 -name: 5-hydroxyectoine zwitterion -is_a: CHEBI:35285 ! iminium betaine +id: CHEBI:90970 +name: 1alpha,23(S),25-trihydroxyvitamin D3 +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:36853 ! hydroxy seco-steroid +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:85425 -name: glycine transporter inhibitor -is_a: CHEBI:35222 ! inhibitor +id: CHEBI:90975 +name: O(4)-(N-acetyl-alpha-D-galactosaminyl)-trans-4-hydroxy-L-proline residue +is_a: CHEBI:83228 ! L-alpha-amino acid residue [Term] -id: CHEBI:85541 -name: elemental bismuth -is_a: CHEBI:33259 ! elemental molecular entity -is_a: CHEBI:37196 ! bismuth molecular entity +id: CHEBI:90976 +name: 20-hydroxylipoxin A4 +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:6497 ! lipoxin +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:85543 -name: bismuth ion -is_a: CHEBI:36914 ! inorganic ion -is_a: CHEBI:85541 ! elemental bismuth +id: CHEBI:90978 +name: 20-hydroxylipoxin B4 +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:6497 ! lipoxin +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:85620 -name: Fe4S3 iron-sulfur cluster -is_a: CHEBI:30408 ! iron-sulfur cluster +id: CHEBI:90979 +name: 5,20-DiHETE +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:86026 -name: tRNA threonylcarbamoyladenosine -is_a: CHEBI:33697 ! ribonucleic acid +id: CHEBI:90980 +name: 23(S),25-dihydroxy-24-oxovitamin D3 +is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone +is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone +is_a: CHEBI:27136 ! triol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:47806 ! oxocalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:86027 -name: naphthopyran -is_a: CHEBI:26979 ! organic heterotricyclic compound -is_a: CHEBI:38104 ! oxacycle +id: CHEBI:90982 +name: 8,20-DiHETE +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:86139 -name: N-methyl-L-alpha-amino acid zwitterion -is_a: CHEBI:35238 ! amino acid zwitterion +id: CHEBI:90983 +name: (20S)-hydroxyvitamin D3 +is_a: CHEBI:23824 ! diol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:86262 -name: D-kynurenine -is_a: CHEBI:16733 ! D-alpha-amino acid -is_a: CHEBI:28683 ! kynurenine +id: CHEBI:90984 +name: 20(S),25-dihydroxyvitamin D3 +is_a: CHEBI:27136 ! triol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:86264 -name: rat metabolite -is_a: CHEBI:75768 ! mammalian metabolite +id: CHEBI:90985 +name: (20S,24R)-dihydroxyvitamin D3 +is_a: CHEBI:27136 ! triol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:86273 -name: 4-hydroxylysine -is_a: CHEBI:86498 ! hydroxylysine +id: CHEBI:90986 +name: (20S,24S)-dihydroxyvitamin D3 +is_a: CHEBI:27136 ! triol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:86315 -name: methyl sulfide -is_a: CHEBI:16385 ! organic sulfide +id: CHEBI:90987 +name: 3-deoxy-D-glycero-beta-D-galacto-nonulosonate 9-phosphate(3-) +is_a: CHEBI:58945 ! organophosphate oxoanion +is_a: CHEBI:63551 ! carbohydrate acid derivative anion [Term] -id: CHEBI:86323 -name: conazole antifungal agent -is_a: CHEBI:68452 ! azole -relationship: has_role CHEBI:35718 ! antifungal agent -relationship: has_role CHEBI:75282 ! ergosterol biosynthesis inhibitor +id: CHEBI:90988 +name: 3-deoxy-D-glycero-beta-D-galacto-nonulosonate +is_a: CHEBI:33721 ! carbohydrate acid anion +is_a: CHEBI:35757 ! monocarboxylic acid anion +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:86324 -name: quinolone antibiotic -is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:90989 +name: CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonate(2-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:86327 -name: antifungal drug -is_a: CHEBI:23888 ! drug -is_a: CHEBI:35441 ! antiinfective agent -is_a: CHEBI:35718 ! antifungal agent +id: CHEBI:90990 +name: 12,20-DiHETE +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:86328 -name: antifungal agrochemical -is_a: CHEBI:24127 ! fungicide -is_a: CHEBI:25944 ! pesticide -is_a: CHEBI:33286 ! agrochemical +id: CHEBI:90992 +name: 20-hydroxy-6-trans-leukotriene B4 +is_a: CHEBI:10615 ! omega-hydroxy fatty acid +is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid +is_a: CHEBI:15904 ! long-chain fatty acid +is_a: CHEBI:25029 ! leukotriene [Term] -id: CHEBI:86359 -name: L-gluconic acid -is_a: CHEBI:24266 ! gluconic acid +id: CHEBI:90996 +name: 12(S)-HpEPE +is_a: CHEBI:78909 ! 12-HPEPE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:86420 -name: imidazole antifungal agent -is_a: CHEBI:24780 ! imidazoles -relationship: has_role CHEBI:35718 ! antifungal agent +id: CHEBI:91000 +name: resolvin E1(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:86426 -name: triazole antifungal agent -is_a: CHEBI:35727 ! triazoles -relationship: has_role CHEBI:35718 ! antifungal agent +id: CHEBI:91001 +name: 18-oxoresolvin E1(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:59836 ! oxo fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:86468 -name: dimethylarginine -is_a: CHEBI:22617 ! arginine derivative +id: CHEBI:91002 +name: sucrose 6(G)-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:86469 -name: peptidoglycosaminoglycan -is_a: CHEBI:18085 ! glycosaminoglycan +id: CHEBI:91003 +name: asperlicins +is_a: CHEBI:36470 ! quinazoline alkaloid +is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] -id: CHEBI:86478 -name: antibiotic antifungal agent -is_a: CHEBI:33285 ! heteroorganic entity -relationship: has_role CHEBI:35718 ! antifungal agent +id: CHEBI:91004 +name: D-galactopyranose 6-phosphate(2-) +is_a: CHEBI:61567 ! D-hexopyranose 6-phosphate(2-) [Term] -id: CHEBI:86498 -name: hydroxylysine -is_a: CHEBI:24662 ! hydroxy-amino acid -is_a: CHEBI:53079 ! lysine derivative +id: CHEBI:91005 +name: 5-[(E)-caffeoyl]shikimate +is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion +is_a: CHEBI:36126 ! cyclohexenecarboxylate +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:86499 -name: monohydroxyproline -is_a: CHEBI:24662 ! hydroxy-amino acid -is_a: CHEBI:26273 ! proline derivative +id: CHEBI:91007 +name: aromatic carboxylate +is_a: CHEBI:29067 ! carboxylic acid anion [Term] -id: CHEBI:86644 -name: Gibberellic acid -is_a: CHEBI:20858 ! C19-gibberellin -is_a: CHEBI:38305 ! gibberellin monocarboxylic acid +id: CHEBI:91010 +name: (2Z,4Z)-2,3-dichloromuconic acid +is_a: CHEBI:111519 ! 2,3-dichloromuconic acid +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:86990 -name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine -is_a: CHEBI:35618 ! aromatic ether -is_a: CHEBI:50995 ! secondary amino compound -is_a: CHEBI:83565 ! (trifluoromethyl)benzenes +id: CHEBI:91011 +name: (2Z,4Z)-2,3-dichloromuconate(2-) +is_a: CHEBI:90883 ! 2,3-dichloromuconate(2-) [Term] -id: CHEBI:86991 -name: (R)-fluoxetine -is_a: CHEBI:86990 ! N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine -relationship: has_role CHEBI:35469 ! antidepressant -relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor +id: CHEBI:91013 +name: D-ribose 5-triphosphate(4-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:86992 -name: (S)-fluoxetine -is_a: CHEBI:86990 ! N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine -relationship: has_role CHEBI:35469 ! antidepressant -relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor +id: CHEBI:91020 +name: actinorhodin(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:86993 -name: (R)-fluoxetine(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:91025 +name: erythropoietin inhibitor +is_a: CHEBI:35222 ! inhibitor [Term] -id: CHEBI:86995 -name: (S)-fluoxetine(1+) -is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion +id: CHEBI:91036 +name: phosphatidylinositol 36:3(1-) +is_a: CHEBI:57880 ! 1-phosphatidyl-1D-myo-inositol(1-) [Term] -id: CHEBI:87034 -name: aromatic fungicide -is_a: CHEBI:33659 ! organic aromatic compound -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:9107 +name: senecionine +is_a: CHEBI:25000 ! lactone +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:64948 ! pyrrolizidine alkaloid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:87036 -name: benzimidazole fungicide -is_a: CHEBI:22715 ! benzimidazoles -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:91079 +name: purinergic receptor P2 antagonist +is_a: CHEBI:48706 ! antagonist [Term] -id: CHEBI:87061 -name: carbamate fungicide -is_a: CHEBI:23003 ! carbamate ester -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:91089 +name: CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonate(1-) +is_a: CHEBI:59737 ! nucleotide-sugar oxoanion [Term] -id: CHEBI:87064 -name: benzimidazolylcarbamate fungicide -is_a: CHEBI:22715 ! benzimidazoles -is_a: CHEBI:87061 ! carbamate fungicide -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:91118 +name: N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine +is_a: CHEBI:36642 ! glycohexaosylceramide [Term] -id: CHEBI:87068 -name: imidazole fungicide -is_a: CHEBI:86420 ! imidazole antifungal agent -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:91119 +name: alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine +is_a: CHEBI:23073 ! glycopentaosylceramide [Term] -id: CHEBI:87069 -name: imidazole antifungal drug -is_a: CHEBI:86420 ! imidazole antifungal agent -relationship: has_role CHEBI:86327 ! antifungal drug +id: CHEBI:91121 +name: beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine +is_a: CHEBI:23075 ! glycotetraosylceramide [Term] -id: CHEBI:8707 -name: quetiapine -is_a: CHEBI:39268 ! dibenzothiazepine -is_a: CHEBI:46845 ! N-alkylpiperazine -is_a: CHEBI:46848 ! N-arylpiperazine -relationship: has_role CHEBI:37887 ! adrenergic antagonist -relationship: has_role CHEBI:37956 ! histamine antagonist -relationship: has_role CHEBI:48279 ! serotonergic antagonist -relationship: has_role CHEBI:48561 ! dopaminergic antagonist -relationship: has_role CHEBI:65191 ! second generation antipsychotic +id: CHEBI:91126 +name: 2-trans,4-trans-xanthoxin +is_a: CHEBI:32955 ! epoxide +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:51688 ! enal +relationship: has_role CHEBI:35219 ! plant growth retardant +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:87071 -name: conazole antifungal drug -is_a: CHEBI:68452 ! azole -is_a: CHEBI:86323 ! conazole antifungal agent -relationship: has_role CHEBI:86327 ! antifungal drug +id: CHEBI:91128 +name: 3-acetylchlorophyllide a +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide +is_a: CHEBI:51867 ! methyl ketone +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:87101 -name: triazole antifungal drug -is_a: CHEBI:86426 ! triazole antifungal agent -relationship: has_role CHEBI:86327 ! antifungal drug +id: CHEBI:91130 +name: 2-trans-(+)-abscisic aldehyde +is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid +is_a: CHEBI:48953 ! cyclohexenones +is_a: CHEBI:51688 ! enal +is_a: CHEBI:51689 ! enone [Term] -id: CHEBI:87113 -name: antibiotic antifungal drug -is_a: CHEBI:86478 ! antibiotic antifungal agent -relationship: has_role CHEBI:86327 ! antifungal drug +id: CHEBI:91132 +name: 18(R)-HETE +is_a: CHEBI:63579 ! 18-HETE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:87114 -name: antibiotic fungicide -is_a: CHEBI:86478 ! antibiotic antifungal agent -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:91133 +name: prostaglandin H1 +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26344 ! prostaglandins H +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:61121 ! oxylipin +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:87195 -name: dicarboximide fungicide -is_a: CHEBI:87200 ! dicarboximide antifungal agent -relationship: has_role CHEBI:24127 ! fungicide +id: CHEBI:91134 +name: L-erythrulose 4-phosphate +is_a: CHEBI:24980 ! ketotetrose phosphate +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:87197 -name: dichlorophenyl dicarboximide fungicide -is_a: CHEBI:23697 ! dichlorobenzene -is_a: CHEBI:87195 ! dicarboximide fungicide +id: CHEBI:91135 +name: 19-hydroxyprostaglandin H1 +is_a: CHEBI:25702 ! organic peroxide +is_a: CHEBI:26344 ! prostaglandins H +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:35990 ! bridged compound +is_a: CHEBI:61121 ! oxylipin +is_a: CHEBI:78840 ! olefinic compound +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:87200 -name: dicarboximide antifungal agent -is_a: CHEBI:35356 ! dicarboximide -relationship: has_role CHEBI:35718 ! antifungal agent +id: CHEBI:91136 +name: 5(S),11(R)-DiHETE +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite + +[Term] +id: CHEBI:91137 +name: 17(R)-HDoHE +is_a: CHEBI:72637 ! (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:87228 -name: sulfonamide antibiotic -is_a: CHEBI:35358 ! sulfonamide -relationship: has_role CHEBI:33281 ! antimicrobial agent +id: CHEBI:91138 +name: 5(S),15(R)-DiHETE +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:87518 -name: ADP(2-) -is_a: CHEBI:58945 ! organophosphate oxoanion +id: CHEBI:91139 +name: elastin-laminin receptor agonist +is_a: CHEBI:48705 ! agonist [Term] -id: CHEBI:87631 -name: statin -is_a: CHEBI:36963 ! organooxygen compound -relationship: has_role CHEBI:35664 ! EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor -relationship: has_role CHEBI:35821 ! anticholesteremic drug +id: CHEBI:91140 +name: 15(R)-HEPE +is_a: CHEBI:72627 ! 15-HEPE +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:87632 -name: statin (naturally occurring) -is_a: CHEBI:87631 ! statin -relationship: has_role CHEBI:25212 ! metabolite +id: CHEBI:91143 +name: (3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide +is_a: CHEBI:35307 ! epoxycarotenol +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:87633 -name: statin (semi-synthetic) -is_a: CHEBI:72588 ! semisynthetic derivative -is_a: CHEBI:87631 ! statin +id: CHEBI:91165 +name: capsanthin 5,6-epoxide +is_a: CHEBI:35307 ! epoxycarotenol +is_a: CHEBI:35310 ! carotenone +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:87659 -name: dodecanoate ester -is_a: CHEBI:35748 ! fatty acid ester +id: CHEBI:91175 +name: hypusine(2+) residue +is_a: CHEBI:35415 ! alpha-amino-acid residue cation [Term] -id: CHEBI:87691 -name: tetradecanoate ester -is_a: CHEBI:35748 ! fatty acid ester +id: CHEBI:91176 +name: deoxyhypusine residue +is_a: CHEBI:33710 ! alpha-amino-acid residue [Term] -id: CHEBI:87792 -name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(5-) -is_a: CHEBI:79346 ! anionic ganglioside -is_a: CHEBI:88060 ! ganglioside GP1(5-) -is_a: CHEBI:90512 ! alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(5-) +id: CHEBI:91177 +name: maltose 6'-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:87835 -name: framycetin(6+) +id: CHEBI:91178 +name: N-demethylindolmycin(1+) is_a: CHEBI:25697 ! organic cation -is_a: CHEBI:35274 ! ammonium ion [Term] -id: CHEBI:88003 -name: fructose 6-phosphate -is_a: CHEBI:24971 ! ketohexose monophosphate +id: CHEBI:91179 +name: indolmycin(1+) +is_a: CHEBI:25697 ! organic cation [Term] -id: CHEBI:88048 -name: cyanotoxin -is_a: CHEBI:27026 ! toxin -is_a: CHEBI:76969 ! bacterial metabolite +id: CHEBI:91180 +name: (R)-3-(indol-3-yl)-2-oxobutyrate +is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion [Term] -id: CHEBI:88056 -name: ganglioside GM1/1b(1-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:91181 +name: 2-phosphinomethylmalate(3-) +is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] -id: CHEBI:88058 -name: ganglioside GT1(3-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:91209 +name: glycosmisic acid +is_a: CHEBI:134251 ! guaiacols +is_a: CHEBI:15734 ! primary alcohol +is_a: CHEBI:38830 ! 1-benzofurans +is_a: CHEBI:64475 ! guaiacyl lignin +is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite [Term] -id: CHEBI:88060 -name: ganglioside GP1(5-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:91221 +name: 2-hydroxyspheroidene +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:35329 ! carotenoid ether [Term] -id: CHEBI:88061 -name: polyamine -is_a: CHEBI:50047 ! organic amino compound +id: CHEBI:91223 +name: 2,2-dihydroxyspheroidene +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:35329 ! carotenoid ether +is_a: CHEBI:63734 ! ketone hydrate [Term] -id: CHEBI:88071 -name: monosialodiglycosylceramide(1-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:91227 +name: 2-hydroxyspirilloxanthin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:35329 ! carotenoid ether [Term] -id: CHEBI:88076 -name: monosialotriglycosylceramide(1-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:91228 +name: 2,2-dihydroxyspirilloxanthin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:35329 ! carotenoid ether +is_a: CHEBI:63734 ! ketone hydrate [Term] -id: CHEBI:88184 -name: metal allergen -is_a: CHEBI:33521 ! metal atom -relationship: has_role CHEBI:50904 ! allergen +id: CHEBI:91229 +name: 2'-hydroxy-2-oxospirilloxanthin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:35310 ! carotenone +is_a: CHEBI:35329 ! carotenoid ether [Term] -id: CHEBI:88186 -name: metal cation allergen -is_a: CHEBI:25213 ! metal cation -relationship: has_role CHEBI:50904 ! allergen +id: CHEBI:91230 +name: 2',2'-dihydroxy-2-oxospirilloxanthin +is_a: CHEBI:23045 ! carotenol +is_a: CHEBI:35310 ! carotenone +is_a: CHEBI:35329 ! carotenoid ether +is_a: CHEBI:63734 ! ketone hydrate [Term] -id: CHEBI:88187 -name: penicillin allergen -is_a: CHEBI:17334 ! penicillin -relationship: has_role CHEBI:50904 ! allergen +id: CHEBI:91232 +name: 2-amino-3-hydroxy-4-methylbenzoyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:88188 -name: drug allergen -is_a: CHEBI:23888 ! drug -is_a: CHEBI:50904 ! allergen +id: CHEBI:91233 +name: 17-(4-hydroxyphenyl)heptadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:88190 -name: 2-oxido-5-methylquinone -is_a: CHEBI:25697 ! organic cation +id: CHEBI:91234 +name: 17-(4-hydroxyphenyl)heptadecanoyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:88229 -name: alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(3-) -is_a: CHEBI:78452 ! alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:91235 +name: 19-(4-hydroxyphenyl)nonadecanoyl-AMP(1-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:88230 -name: autophagy inhibitor -is_a: CHEBI:35222 ! inhibitor -is_a: CHEBI:52206 ! biochemical role +id: CHEBI:91236 +name: 19-(4-hydroxyphenyl)nonadecanoate +is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] -id: CHEBI:88306 -name: 4-nitrophenols -is_a: CHEBI:39362 ! mononitrophenol +id: CHEBI:91252 +name: valienol 1-phosphate(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:88332 -name: aralkylammonium -is_a: CHEBI:65296 ! primary ammonium ion +id: CHEBI:91253 +name: GDP-valienol(2-) +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:88360 -name: N-(1-naphthyl)carboxamide -is_a: CHEBI:88361 ! N-(naphthyl)carboxamide +id: CHEBI:91254 +name: phosphonoformate(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:59635 ! organophosphonate oxoanion [Term] -id: CHEBI:88361 -name: N-(naphthyl)carboxamide -is_a: CHEBI:140325 ! secondary carboxamide -is_a: CHEBI:25477 ! naphthalenes -is_a: CHEBI:62733 ! aromatic amide +id: CHEBI:91255 +name: CMP-5'-phosphonoformate(3-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58945 ! organophosphate oxoanion [Term] -id: CHEBI:8871 -name: risperidone -is_a: CHEBI:37143 ! organofluorine compound -is_a: CHEBI:38932 ! pyridopyrimidine -is_a: CHEBI:48585 ! heteroarylpiperidine -is_a: CHEBI:51545 ! 1,2-benzoxazoles -relationship: has_role CHEBI:35471 ! psychotropic drug -relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist -relationship: has_role CHEBI:37955 ! H1-receptor antagonist -relationship: has_role CHEBI:48279 ! serotonergic antagonist -relationship: has_role CHEBI:48561 ! dopaminergic antagonist -relationship: has_role CHEBI:65191 ! second generation antipsychotic -relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor +id: CHEBI:91264 +name: 11(R)-HEPE +is_a: CHEBI:131889 ! 11-HEPE +relationship: has_role CHEBI:67079 ! anti-inflammatory agent +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:84735 ! algal metabolite [Term] -id: CHEBI:8984 -name: sodium dodecyl sulfate -is_a: CHEBI:38700 ! organic sodium salt -relationship: has_part CHEBI:23872 ! dodecyl sulfate -relationship: has_role CHEBI:27780 ! detergent -relationship: has_role CHEBI:50533 ! protein denaturant +id: CHEBI:91268 +name: 5-HPETE +is_a: CHEBI:24644 ! HPETE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:90172 -name: c-Jun N-terminal kinase inhibitor -is_a: CHEBI:79091 ! EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor +id: CHEBI:91271 +name: 15-HPETE +is_a: CHEBI:24644 ! HPETE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:90318 -name: EC 6.4.1.1 (pyruvate carboxylase) inhibitor -is_a: CHEBI:76824 ! EC 6.4.1.* (carboxylase) inhibitor +id: CHEBI:91272 +name: 13-HPODE +is_a: CHEBI:36329 ! HPODE +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:90396 -name: (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one -is_a: CHEBI:22707 ! benzenetriol -is_a: CHEBI:23697 ! dichlorobenzene -is_a: CHEBI:76224 ! aromatic ketone -relationship: has_role CHEBI:75763 ! eukaryotic metabolite +id: CHEBI:91273 +name: pyrrolysine +is_a: CHEBI:140325 ! secondary carboxamide +is_a: CHEBI:23763 ! pyrroline +is_a: CHEBI:51569 ! N-acyl-amino acid +is_a: CHEBI:53079 ! lysine derivative [Term] -id: CHEBI:90397 -name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-) -is_a: CHEBI:50525 ! phenolate anion +id: CHEBI:91274 +name: (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid +is_a: CHEBI:134651 ! hydroxydocosapentaenoic acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:90398 -name: (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) -is_a: CHEBI:50525 ! phenolate anion +id: CHEBI:91286 +name: 5(S),15(S)-DiHETE +is_a: CHEBI:72868 ! dihydroxyicosatetraenoic acid +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:90512 -name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(5-) -is_a: CHEBI:79346 ! anionic ganglioside +id: CHEBI:91287 +name: (5S)-hydroperoxy-18-hydroxy-EPE +is_a: CHEBI:134645 ! hydroperoxy(hydroxy)icosapentaenoic acid +is_a: CHEBI:61051 ! lipid hydroperoxide +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:90546 -name: medium-chain fatty acyl-CoA(4-) -is_a: CHEBI:77636 ! fatty acyl-CoA(4-) +id: CHEBI:91291 +name: bacteriochlorophyllide g +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide +relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] -id: CHEBI:90688 -name: metformin(1+) -is_a: CHEBI:60251 ! guanidinium ion +id: CHEBI:91292 +name: alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-N-acylsphingosine +is_a: CHEBI:36546 ! sialomonoglycosylceramide [Term] -id: CHEBI:90708 -name: retinoic acid receptor modulator -is_a: CHEBI:90709 ! nuclear receptor modulator +id: CHEBI:91293 +name: 14-oxo-DoHE +is_a: CHEBI:134542 ! oxodocosahexaenoic acid +is_a: CHEBI:51689 ! enone +relationship: has_role CHEBI:76967 ! human xenobiotic metabolite [Term] -id: CHEBI:90709 -name: nuclear receptor modulator -is_a: CHEBI:90710 ! receptor modulator +id: CHEBI:91294 +name: 12,18-dihydroxyoctadecanoate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:90710 -name: receptor modulator -is_a: CHEBI:23888 ! drug +id: CHEBI:91295 +name: ricinoleate +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:59835 ! hydroxy fatty acid anion +is_a: CHEBI:82680 ! monounsaturated fatty acid anion [Term] -id: CHEBI:90799 -name: dipeptide zwitterion -is_a: CHEBI:60466 ! peptide zwitterion +id: CHEBI:91296 +name: lysophosphatidylethanolamine 18:2 +is_a: CHEBI:64574 ! lysophosphatidylethanolamine +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:90822 -name: 5-HPETE(1-) -is_a: CHEBI:59720 ! HPETE anion -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:91297 +name: lysophosphatidylcholine(0:0/16:0) +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64563 ! lysophosphatidylcholine 16:0 +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:9093 -name: selenocysteine -is_a: CHEBI:33704 ! alpha-amino acid -relationship: has_part CHEBI:50327 ! selanylmethyl group +id: CHEBI:91299 +name: lysophosphatidylcholine(0:0/18:0) +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64561 ! lysophosphatidylcholine 18:0 relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:91007 -name: aromatic carboxylate -is_a: CHEBI:29067 ! carboxylic acid anion +id: CHEBI:91300 +name: (9Z,12R)-12,18-dihydroxyoctadecenoate +is_a: CHEBI:131870 ! hydroxy monounsaturated fatty acid anion +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion [Term] -id: CHEBI:91020 -name: actinorhodin(3-) -is_a: CHEBI:35693 ! dicarboxylic acid anion +id: CHEBI:91301 +name: 5,20-diHEPE(1-) +is_a: CHEBI:57560 ! long-chain fatty acid anion +is_a: CHEBI:62937 ! icosanoid anion +is_a: CHEBI:76307 ! omega-hydroxy fatty acid anion +is_a: CHEBI:76567 ! polyunsaturated fatty acid anion [Term] -id: CHEBI:91025 -name: erythropoietin inhibitor -is_a: CHEBI:35222 ! inhibitor +id: CHEBI:91302 +name: lysophosphatidylcholine(0:0/18:2) +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64549 ! lysophosphatidylcholine 18:2 +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:91079 -name: purinergic receptor P2 antagonist -is_a: CHEBI:48706 ! antagonist +id: CHEBI:91303 +name: lysophosphatidylcholine(0:0/20:4) +is_a: CHEBI:57875 ! 2-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64568 ! lysophosphatidylcholine 20:4 +relationship: has_role CHEBI:77746 ! human metabolite [Term] -id: CHEBI:91139 -name: elastin-laminin receptor agonist -is_a: CHEBI:48705 ! agonist +id: CHEBI:91306 +name: (20S,23)-dihydroxyvitamin D3 +is_a: CHEBI:27136 ! triol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:91175 -name: hypusine(2+) residue -is_a: CHEBI:35415 ! alpha-amino-acid residue cation +id: CHEBI:91307 +name: (20S,23,24)-trihydroxyvitamin D3 +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:91268 -name: 5-HPETE -is_a: CHEBI:24644 ! HPETE -relationship: has_role CHEBI:76967 ! human xenobiotic metabolite +id: CHEBI:91308 +name: (20S,23,25)-trihydroxyvitamin D3 +is_a: CHEBI:33573 ! tetrol +is_a: CHEBI:47042 ! hydroxycalciol +is_a: CHEBI:73558 ! D3 vitamins +relationship: has_role CHEBI:77746 ! human metabolite +relationship: has_role CHEBI:86264 ! rat metabolite [Term] -id: CHEBI:91273 -name: pyrrolysine -is_a: CHEBI:140325 ! secondary carboxamide -is_a: CHEBI:23763 ! pyrroline -is_a: CHEBI:51569 ! N-acyl-amino acid -is_a: CHEBI:53079 ! lysine derivative +id: CHEBI:91309 +name: lysophosphatidylcholine(18:2/0:0) +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64549 ! lysophosphatidylcholine 18:2 +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:91310 +name: lysophosphatidylcholine(20:4/0:0) +is_a: CHEBI:58168 ! 1-O-acyl-sn-glycero-3-phosphocholine +is_a: CHEBI:64568 ! lysophosphatidylcholine 20:4 +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:915 +name: 2,4-dihydroxyhept-2-enedioic acid +is_a: CHEBI:24522 ! heptenedioic acid [Term] id: CHEBI:9150 name: simvastatin +is_a: CHEBI:142348 ! hexahydronaphthalenes is_a: CHEBI:18946 ! delta-lactone is_a: CHEBI:35748 ! fatty acid ester -is_a: CHEBI:36785 ! carbobicyclic compound is_a: CHEBI:87633 ! statin (semi-synthetic) relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:77255 ! EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor @@ -39832,6 +136630,40 @@ relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:68481 ! mTOR inhibitor relationship: has_role CHEBI:76969 ! bacterial metabolite +[Term] +id: CHEBI:9192 +name: solavetivone +is_a: CHEBI:26658 ! sesquiterpenoid +is_a: CHEBI:33599 ! spiro compound +is_a: CHEBI:3992 ! cyclic ketone +relationship: has_role CHEBI:26115 ! phytoalexin +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:920 +name: 2,4-dinitrotoluene +is_a: CHEBI:23822 ! dinitrotoluene + +[Term] +id: CHEBI:9209 +name: soyasapogenol B +is_a: CHEBI:25872 ! pentacyclic triterpenoid + +[Term] +id: CHEBI:9211 +name: soyasaponin I +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:61778 ! triterpenoid saponin +is_a: CHEBI:63436 ! carbohydrate acid derivative +is_a: CHEBI:63571 ! trisaccharide derivative +relationship: has_role CHEBI:62915 ! sialyltransferase inhibitor + +[Term] +id: CHEBI:9300 +name: suberic acid +is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid +relationship: has_role CHEBI:77746 ! human metabolite + [Term] id: CHEBI:9330 name: sulfamic acid @@ -39854,6 +136686,17 @@ id: CHEBI:9341 name: sulfinate is_a: CHEBI:33482 ! sulfur oxoanion +[Term] +id: CHEBI:9347 +name: sulfoglycolithocholic acid +is_a: CHEBI:16158 ! steroid sulfate +is_a: CHEBI:36255 ! bile acid glycine conjugate + +[Term] +id: CHEBI:9349 +name: sulfonyldimethane +is_a: CHEBI:35850 ! sulfone + [Term] id: CHEBI:9398 name: tamsulosin @@ -39861,6 +136704,45 @@ is_a: CHEBI:35358 ! sulfonamide relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist +[Term] +id: CHEBI:9402 +name: taraxerol +is_a: CHEBI:25872 ! pentacyclic triterpenoid +is_a: CHEBI:35681 ! secondary alcohol +relationship: has_role CHEBI:25212 ! metabolite + +[Term] +id: CHEBI:9407 +name: taurochenodeoxycholate +is_a: CHEBI:131879 ! cholanic acid conjugate anion +is_a: CHEBI:33554 ! organosulfonate oxoanion +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:9410 +name: taurodeoxycholic acid +is_a: CHEBI:23219 ! bile acid taurine conjugate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:9440 +name: tenuazonic acid +is_a: CHEBI:51867 ! methyl ketone +is_a: CHEBI:67265 ! beta-diketone +is_a: CHEBI:74223 ! pyrrolidin-2-ones +relationship: has_role CHEBI:25442 ! mycotoxin +relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +relationship: has_role CHEBI:84087 ! human urinary metabolite + +[Term] +id: CHEBI:9457 +name: terpinolene +is_a: CHEBI:50073 ! p-menthadiene +relationship: has_role CHEBI:27311 ! volatile oil component +relationship: has_role CHEBI:35717 ! sedative +relationship: has_role CHEBI:71692 ! insect repellent +relationship: has_role CHEBI:76924 ! plant metabolite + [Term] id: CHEBI:9470 name: tetracenomycin C @@ -39868,6 +136750,11 @@ is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:48132 ! tetracenomycin +[Term] +id: CHEBI:9493 +name: tetrahymanol +is_a: CHEBI:25872 ! pentacyclic triterpenoid + [Term] id: CHEBI:9516 name: thapsigargin @@ -39877,17 +136764,56 @@ is_a: CHEBI:50477 ! butyrate ester relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:60186 ! EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor +[Term] +id: CHEBI:9519 +name: thebaine +is_a: CHEBI:25418 ! morphinane alkaloid +is_a: CHEBI:38164 ! organic heteropentacyclic compound + [Term] id: CHEBI:9532 name: thiamine(1+) diphosphate is_a: CHEBI:63048 ! 1,3-thiazolium cation relationship: has_role CHEBI:78675 ! fundamental metabolite +[Term] +id: CHEBI:9533 +name: thiamine(1+) monophosphate +is_a: CHEBI:63048 ! 1,3-thiazolium cation +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:76971 ! Escherichia coli metabolite +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:9534 +name: thiamine(1+) triphosphate +is_a: CHEBI:63048 ! 1,3-thiazolium cation +relationship: has_role CHEBI:75771 ! mouse metabolite + [Term] id: CHEBI:9553 name: thioglucoside is_a: CHEBI:35275 ! S-glycosyl compound +[Term] +id: CHEBI:9555 +name: tioguanine +is_a: CHEBI:20702 ! 2-aminopurines +relationship: has_role CHEBI:35221 ! antimetabolite +relationship: has_role CHEBI:35610 ! antineoplastic agent + +[Term] +id: CHEBI:9577 +name: (-)-alpha-thujone +is_a: CHEBI:50042 ! alpha-thujone + +[Term] +id: CHEBI:9578 +name: (-)-thujopsene +is_a: CHEBI:61736 ! thujopsene + [Term] id: CHEBI:9588 name: ticlopidine @@ -39899,6 +136825,31 @@ relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor relationship: has_role CHEBI:68563 ! P2Y12 receptor antagonist +[Term] +id: CHEBI:9592 +name: tiglic acid +is_a: CHEBI:36432 ! 2-methylbut-2-enoic acid +relationship: has_role CHEBI:76924 ! plant metabolite + +[Term] +id: CHEBI:9638 +name: torulene +is_a: CHEBI:23042 ! carotene +is_a: CHEBI:48121 ! polyene + +[Term] +id: CHEBI:9661 +name: triacetin +is_a: CHEBI:17855 ! triglyceride +relationship: has_role CHEBI:46787 ! solvent +relationship: has_role CHEBI:60809 ! adjuvant +relationship: has_role CHEBI:62803 ! fuel additive +relationship: has_role CHEBI:63047 ! food emulsifier +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77969 ! food humectant +relationship: has_role CHEBI:78059 ! food additive carrier +relationship: has_role CHEBI:86327 ! antifungal drug + [Term] id: CHEBI:9688 name: trichodermin @@ -39908,12 +136859,54 @@ relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:48001 ! protein synthesis inhibitor +[Term] +id: CHEBI:978 +name: 2-(1-hydroxyethyl)thiamine diphosphate +is_a: CHEBI:26945 ! thiamine phosphate +is_a: CHEBI:63048 ! 1,3-thiazolium cation + +[Term] +id: CHEBI:98 +name: (S)-linalool +is_a: CHEBI:17580 ! linalool + +[Term] +id: CHEBI:9889 +name: urea-1-carboxylic acid +is_a: CHEBI:47857 ! ureas + +[Term] +id: CHEBI:99 +name: (-)-maackiain +is_a: CHEBI:73029 ! maackiain + +[Term] +id: CHEBI:9907 +name: ursodeoxycholic acid +is_a: CHEBI:131620 ! C24-steroid +is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid +is_a: CHEBI:3098 ! bile acid +relationship: has_role CHEBI:75771 ! mouse metabolite +relationship: has_role CHEBI:77746 ! human metabolite + [Term] id: CHEBI:9937 name: vasopressin is_a: CHEBI:24533 ! heterodetic cyclic peptide is_a: CHEBI:25905 ! peptide hormone +[Term] +id: CHEBI:994 +name: cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate +is_a: CHEBI:29044 ! 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate +relationship: has_role CHEBI:77746 ! human metabolite + +[Term] +id: CHEBI:995 +name: cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid +is_a: CHEBI:19448 ! 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid +relationship: has_role CHEBI:75771 ! mouse metabolite + [Term] id: CHEBI:9973 name: vibriobactin @@ -39921,6 +136914,13 @@ is_a: CHEBI:140325 ! secondary carboxamide is_a: CHEBI:46812 ! 1,3-oxazoles relationship: has_role CHEBI:26672 ! siderophore +[Term] +id: GOCHE:131561 +name: substance with hyaluronic acid synthesis inhibitor role +is_a: GOCHE:35222 ! substance with inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:131561 ! hyaluronic acid synthesis inhibitor + [Term] id: GOCHE:131604 name: substance with Mycoplasma genitalium metabolite role @@ -39977,6 +136977,41 @@ is_a: GOCHE:50247 ! substance with antidote role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:136860 ! antidote to sarin poisoning +[Term] +id: GOCHE:136984 +name: substance with EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor role +is_a: GOCHE:76831 ! substance with EC 4.4.1.* (C-S lyase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:136984 ! EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor + +[Term] +id: GOCHE:137514 +name: substance with TRPA1 channel agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:137514 ! TRPA1 channel agonist + +[Term] +id: GOCHE:137566 +name: substance with EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor role +is_a: GOCHE:76663 ! substance with EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:137566 ! EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor + +[Term] +id: GOCHE:137626 +name: substance with EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor role +is_a: GOCHE:76835 ! substance with EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:137626 ! EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor + +[Term] +id: GOCHE:137684 +name: substance with Papio hamadryas metabolite role +is_a: GOCHE:75768 ! substance with mammalian metabolite role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:137684 ! Papio hamadryas metabolite + [Term] id: GOCHE:138015 name: substance with endocrine disruptor role @@ -39998,6 +137033,48 @@ is_a: GOCHE:76932 ! substance with pathway inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor +[Term] +id: GOCHE:138390 +name: substance with EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor role +is_a: GOCHE:76835 ! substance with EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:138390 ! EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor + +[Term] +id: GOCHE:138938 +name: substance with EC 4.1.1.39 (ribulose-bisphosphate carboxylase) inhibitor role +is_a: GOCHE:76906 ! substance with EC 4.1.1.* (carboxy-lyase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:138938 ! EC 4.1.1.39 (ribulose-bisphosphate carboxylase) inhibitor + +[Term] +id: GOCHE:138977 +name: substance with quorum sensing inhibitor role +is_a: GOCHE:35222 ! substance with inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:138977 ! quorum sensing inhibitor + +[Term] +id: GOCHE:139155 +name: substance with melanin-concentrating hormone receptor antagonist role +is_a: GOCHE:48706 ! substance with antagonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:139155 ! melanin-concentrating hormone receptor antagonist + +[Term] +id: GOCHE:139338 +name: substance with EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor role +is_a: GOCHE:76741 ! substance with EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:139338 ! EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor + +[Term] +id: GOCHE:139339 +name: substance with EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor role +is_a: GOCHE:139338 ! substance with EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:139339 ! EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor + [Term] id: GOCHE:139492 name: substance with sensitiser role @@ -40005,6 +137082,20 @@ is_a: GOCHE:52209 ! substance with aetiopathogenetic role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:139492 ! sensitiser +[Term] +id: GOCHE:139556 +name: substance with EC 4.1.1.17 (ornithine decarboxylase) inhibitor role +is_a: GOCHE:76906 ! substance with EC 4.1.1.* (carboxy-lyase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:139556 ! EC 4.1.1.17 (ornithine decarboxylase) inhibitor + +[Term] +id: GOCHE:140165 +name: substance with Brassica napus metabolite role +is_a: GOCHE:76924 ! substance with plant metabolite role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:140165 ! Brassica napus metabolite + [Term] id: GOCHE:140399 name: substance with specialised pro-resolving mediator role @@ -40014,6 +137105,27 @@ is_a: GOCHE:67079 ! substance with anti-inflammatory agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:140399 ! specialised pro-resolving mediator +[Term] +id: GOCHE:140489 +name: substance with tropomyosin-related kinase B receptor agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:140489 ! tropomyosin-related kinase B receptor agonist + +[Term] +id: GOCHE:140535 +name: substance with TRPV1 agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:140535 ! TRPV1 agonist + +[Term] +id: GOCHE:140641 +name: substance with rhizobitoxine role +is_a: GOCHE:76969 ! substance with bacterial metabolite role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:140641 ! rhizobitoxine + [Term] id: GOCHE:15022 name: substance with electron donor role @@ -40086,6 +137198,13 @@ is_a: GOCHE:25435 ! substance with mutagen role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:22333 ! alkylating agent +[Term] +id: GOCHE:22583 +name: substance with antifeedant role +is_a: GOCHE:25944 ! substance with pesticide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:22583 ! antifeedant + [Term] id: GOCHE:22586 name: substance with antioxidant role @@ -40250,6 +137369,14 @@ is_a: GOCHE:48705 ! substance with agonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:24621 ! hormone +[Term] +id: GOCHE:24850 +name: substance with insect attractant role +is_a: GOCHE:24432 ! substance with biological role role +is_a: GOCHE:25944 ! substance with pesticide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:24850 ! insect attractant + [Term] id: GOCHE:24852 name: substance with insecticide role @@ -40285,6 +137412,13 @@ is_a: GOCHE:37848 ! substance with plant hormone role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:24937 ! jasmonates +[Term] +id: GOCHE:25078 +name: substance with luciferin role +is_a: GOCHE:52216 ! substance with photobiochemical role role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:25078 ! luciferin + [Term] id: GOCHE:25212 name: substance with metabolite role @@ -40351,6 +137485,13 @@ is_a: GOCHE:24432 ! substance with biological role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:25728 ! osmolyte +[Term] +id: GOCHE:25747 +name: substance with oxidized luciferins role +is_a: GOCHE:25078 ! substance with luciferin role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:25747 ! oxidized luciferins + [Term] id: GOCHE:25944 name: substance with pesticide role @@ -40365,6 +137506,14 @@ is_a: GOCHE:26645 ! substance with semiochemical role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:26013 ! pheromone +[Term] +id: GOCHE:26087 +name: substance with photosynthetic electron-transport chain inhibitor role +is_a: GOCHE:24527 ! substance with herbicide role +is_a: GOCHE:38496 ! substance with electron-transport chain inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:26087 ! photosynthetic electron-transport chain inhibitor + [Term] id: GOCHE:26115 name: substance with phytoalexin role @@ -40394,8 +137543,12 @@ intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:26348 ! prosthetic group [Term] -id: GOCHE:26619 -is_obsolete: true +id: GOCHE:26413 +name: substance with pyrethroid insecticide role +is_a: GOCHE:24852 ! substance with insecticide role +is_a: GOCHE:39000 ! substance with sodium channel modulator role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:26413 ! pyrethroid insecticide [Term] id: GOCHE:26645 @@ -40466,6 +137619,13 @@ is_a: GOCHE:52206 ! substance with biochemical role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:33229 ! vitamin +[Term] +id: GOCHE:33231 +name: substance with antitubercular agent role +is_a: GOCHE:64912 ! substance with antimycobacterial drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:33231 ! antitubercular agent + [Term] id: GOCHE:33232 name: substance with application role @@ -40780,6 +137940,13 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:35493 ! antipyretic +[Term] +id: GOCHE:35497 +name: substance with androgen antagonist role +is_a: GOCHE:49020 ! substance with hormone antagonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:35497 ! androgen antagonist + [Term] id: GOCHE:35498 name: substance with diuretic role @@ -40845,6 +138012,14 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:35554 ! cardiovascular drug +[Term] +id: GOCHE:35569 +name: substance with alpha-adrenergic agonist role +is_a: GOCHE:37886 ! substance with adrenergic agonist role +is_a: GOCHE:48539 ! substance with alpha-adrenergic drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:35569 ! alpha-adrenergic agonist + [Term] id: GOCHE:35608 name: substance with EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor role @@ -40894,6 +138069,14 @@ is_a: GOCHE:37962 ! substance with adrenergic agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:35640 ! adrenergic uptake inhibitor +[Term] +id: GOCHE:35660 +name: substance with HIV protease inhibitor role +is_a: GOCHE:37670 ! substance with protease inhibitor role +is_a: GOCHE:64946 ! substance with anti-HIV agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:35660 ! HIV protease inhibitor + [Term] id: GOCHE:35664 name: substance with EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor role @@ -40950,6 +138133,13 @@ is_a: GOCHE:33281 ! substance with antimicrobial agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:35718 ! antifungal agent +[Term] +id: GOCHE:35816 +name: substance with leprostatic drug role +is_a: GOCHE:64912 ! substance with antimycobacterial drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:35816 ! leprostatic drug + [Term] id: GOCHE:35818 name: substance with coccidiostat role @@ -40986,6 +138176,13 @@ is_a: GOCHE:76837 ! substance with EC 1.13.11.* (oxidoreductase acting on single intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:35856 ! lipoxygenase inhibitor +[Term] +id: GOCHE:35941 +name: substance with serotonergic agonist role +is_a: GOCHE:48278 ! substance with serotonergic drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:35941 ! serotonergic agonist + [Term] id: GOCHE:35942 name: substance with neurotransmitter agent role @@ -41039,6 +138236,13 @@ is_a: GOCHE:35820 ! substance with antiprotozoal drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:36335 ! trypanocidal drug +[Term] +id: GOCHE:36413 +name: substance with anabolic agent role +is_a: GOCHE:24621 ! substance with hormone role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:36413 ! anabolic agent + [Term] id: GOCHE:37153 name: substance with EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor role @@ -41060,6 +138264,13 @@ is_a: GOCHE:37334 ! substance with diagnostic imaging agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:37335 ! MRI contrast agent +[Term] +id: GOCHE:37416 +name: substance with EC 2.7.7.6 (RNA polymerase) inhibitor role +is_a: GOCHE:76815 ! substance with EC 2.7.7.* (nucleotidyltransferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:37416 ! EC 2.7.7.6 (RNA polymerase) inhibitor + [Term] id: GOCHE:37527 name: substance with acid role @@ -41247,6 +138458,13 @@ is_a: GOCHE:76815 ! substance with EC 2.7.7.* (nucleotidyltransferase) inhibitor intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:38234 ! DNA polymerase inhibitor +[Term] +id: GOCHE:38317 +name: substance with EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor role +is_a: GOCHE:76837 ! substance with EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:38317 ! EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor + [Term] id: GOCHE:38323 name: substance with cholinergic drug role @@ -41313,6 +138531,13 @@ is_a: GOCHE:76866 ! substance with EC 1.6.5.* (oxidoreductase acting on NADH or intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:38503 ! EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor +[Term] +id: GOCHE:38623 +name: substance with EC 1.4.3.4 (monoamine oxidase) inhibitor role +is_a: GOCHE:76861 ! substance with EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:38623 ! EC 1.4.3.4 (monoamine oxidase) inhibitor + [Term] id: GOCHE:38632 name: substance with membrane transport modulator role @@ -41362,6 +138587,13 @@ is_a: GOCHE:38808 ! substance with calcium channel modulator role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:38809 ! ryanodine receptor modulator +[Term] +id: GOCHE:38828 +name: substance with nonionic surfactant role +is_a: GOCHE:35195 ! substance with surfactant role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:38828 ! nonionic surfactant + [Term] id: GOCHE:38867 name: substance with anaesthetic role @@ -41397,6 +138629,13 @@ is_a: GOCHE:35684 ! substance with antiplatyhelmintic drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:38941 ! schistosomicide drug +[Term] +id: GOCHE:38956 +name: substance with ectoparasiticide role +is_a: GOCHE:35442 ! substance with antiparasitic agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:38956 ! ectoparasiticide + [Term] id: GOCHE:38999 name: substance with GABA-gated chloride channel antagonist role @@ -41411,6 +138650,13 @@ is_a: GOCHE:38632 ! substance with membrane transport modulator role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:39000 ! sodium channel modulator +[Term] +id: GOCHE:39116 +name: substance with pyrethroid ester insecticide role +is_a: GOCHE:26413 ! substance with pyrethroid insecticide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39116 ! pyrethroid ester insecticide + [Term] id: GOCHE:39141 name: substance with Bronsted acid role @@ -41443,6 +138689,44 @@ is_a: GOCHE:22695 ! substance with base role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:39144 ! Lewis base +[Term] +id: GOCHE:39208 +name: substance with antibiotic insecticide role +is_a: GOCHE:24852 ! substance with insecticide role +is_a: GOCHE:39215 ! substance with antibiotic pesticide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39208 ! antibiotic insecticide + +[Term] +id: GOCHE:39215 +name: substance with antibiotic pesticide role +is_a: GOCHE:25944 ! substance with pesticide role +is_a: GOCHE:33281 ! substance with antimicrobial agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39215 ! antibiotic pesticide + +[Term] +id: GOCHE:39259 +name: substance with pyrethroid ester acaricide role +is_a: GOCHE:22153 ! substance with acaricide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39259 ! pyrethroid ester acaricide + +[Term] +id: GOCHE:39276 +name: substance with fumigant role +is_a: GOCHE:25944 ! substance with pesticide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39276 ! fumigant + +[Term] +id: GOCHE:39277 +name: substance with fumigant insecticide role +is_a: GOCHE:24852 ! substance with insecticide role +is_a: GOCHE:39276 ! substance with fumigant role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39277 ! fumigant insecticide + [Term] id: GOCHE:39317 name: substance with growth regulator role @@ -41457,6 +138741,20 @@ is_a: GOCHE:22153 ! substance with acaricide role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:39412 ! bridged diphenyl acaricide +[Term] +id: GOCHE:39442 +name: substance with fluorescent probe role +is_a: GOCHE:50406 ! substance with probe role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39442 ! fluorescent probe + +[Term] +id: GOCHE:39456 +name: substance with antiglaucoma drug role +is_a: GOCHE:66981 ! substance with ophthalmology drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:39456 ! antiglaucoma drug + [Term] id: GOCHE:46787 name: substance with solvent role @@ -41528,6 +138826,14 @@ is_a: GOCHE:33232 ! substance with application role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:48318 ! fragrance +[Term] +id: GOCHE:48353 +name: substance with serine proteinase inhibitor role +is_a: GOCHE:37670 ! substance with protease inhibitor role +is_a: GOCHE:5924 ! substance with EC 3.4.21.* (serine endopeptidase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:48353 ! serine proteinase inhibitor + [Term] id: GOCHE:48354 name: substance with polar solvent role @@ -41637,6 +138943,13 @@ is_a: GOCHE:22586 ! substance with antioxidant role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:48578 ! radical scavenger +[Term] +id: GOCHE:48675 +name: substance with antifibrinolytic drug role +is_a: GOCHE:48676 ! substance with fibrin modulating drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:48675 ! antifibrinolytic drug + [Term] id: GOCHE:48676 name: substance with fibrin modulating drug role @@ -41679,6 +138992,13 @@ is_a: GOCHE:48873 ! substance with cholinergic antagonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:48878 ! nicotinic antagonist +[Term] +id: GOCHE:48887 +name: substance with bile acid metabolite role +is_a: GOCHE:25212 ! substance with metabolite role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:48887 ! bile acid metabolite + [Term] id: GOCHE:49020 name: substance with hormone antagonist role @@ -41786,6 +139106,13 @@ is_a: GOCHE:76898 ! substance with EC 1.14.14.1 (unspecific monooxygenase) inhib intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50183 ! P450 inhibitor +[Term] +id: GOCHE:50185 +name: substance with fatty acid synthesis inhibitor role +is_a: GOCHE:76932 ! substance with pathway inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50185 ! fatty acid synthesis inhibitor + [Term] id: GOCHE:50188 name: substance with provitamin role @@ -41844,6 +139171,13 @@ is_a: GOCHE:51374 ! substance with GABA agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50268 ! GABA modulator +[Term] +id: GOCHE:50269 +name: substance with EC 1.1.1.1 (alcohol dehydrogenase) inhibitor role +is_a: GOCHE:76835 ! substance with EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50269 ! EC 1.1.1.1 (alcohol dehydrogenase) inhibitor + [Term] id: GOCHE:50276 name: substance with EC 5.99.1.2 (DNA topoisomerase) inhibitor role @@ -41900,6 +139234,20 @@ is_a: GOCHE:50248 ! substance with hematologic agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50427 ! platelet aggregation inhibitor +[Term] +id: GOCHE:50445 +name: substance with EC 3.5.4.4 (adenosine deaminase) inhibitor role +is_a: GOCHE:76809 ! substance with EC 3.5.4.* (non-peptide cyclic amidine C-N hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50445 ! EC 3.5.4.4 (adenosine deaminase) inhibitor + +[Term] +id: GOCHE:50469 +name: substance with EC 3.1.1.4 (phospholipase A2) inhibitor role +is_a: GOCHE:76773 ! substance with EC 3.1.1.* (carboxylic ester hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50469 ! EC 3.1.1.4 (phospholipase A2) inhibitor + [Term] id: GOCHE:50502 name: substance with EC 2.5.1.15 (dihydropteroate synthase) inhibitor role @@ -41914,6 +139262,13 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50503 ! laxative +[Term] +id: GOCHE:50504 +name: substance with osmotic diuretic role +is_a: GOCHE:35498 ! substance with diuretic role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50504 ! osmotic diuretic + [Term] id: GOCHE:50505 name: substance with sweetening agent role @@ -41963,6 +139318,13 @@ is_a: GOCHE:17891 ! substance with donor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50566 ! nitric oxide donor +[Term] +id: GOCHE:50627 +name: substance with EC 3.2.1.1 (alpha-amylase) inhibitor role +is_a: GOCHE:52424 ! substance with EC 3.2.1.* (glycosidase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50627 ! EC 3.2.1.1 (alpha-amylase) inhibitor + [Term] id: GOCHE:50629 name: substance with cyclooxygenase 2 inhibitor role @@ -42048,6 +139410,13 @@ is_a: GOCHE:70727 ! substance with topoisomerase inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor +[Term] +id: GOCHE:50751 +name: substance with anti-estrogen role +is_a: GOCHE:23888 ! substance with drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50751 ! anti-estrogen + [Term] id: GOCHE:50779 name: substance with appetite enhancer role @@ -42062,6 +139431,13 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50780 ! appetite regulator +[Term] +id: GOCHE:50781 +name: substance with EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor role +is_a: GOCHE:76857 ! substance with EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50781 ! EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor + [Term] id: GOCHE:50790 name: substance with EC 1.14.14.14 (aromatase) inhibitor role @@ -42099,6 +139475,15 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50857 ! anti-allergic agent +[Term] +id: GOCHE:50864 +name: substance with insulin-sensitizing drug role +is_a: GOCHE:35526 ! substance with hypoglycemic agent role +is_a: GOCHE:48705 ! substance with agonist role +is_a: GOCHE:70781 ! substance with PPAR modulator role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50864 ! insulin-sensitizing drug + [Term] id: GOCHE:50902 name: substance with genotoxin role @@ -42153,6 +139538,13 @@ is_a: GOCHE:64909 ! substance with poison role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50910 ! neurotoxin +[Term] +id: GOCHE:50912 +name: substance with cardiotoxic agent role +is_a: GOCHE:52209 ! substance with aetiopathogenetic role role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50912 ! cardiotoxic agent + [Term] id: GOCHE:50914 name: substance with EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor role @@ -42182,6 +139574,20 @@ is_a: GOCHE:76812 ! substance with EC 2.7.11.* (protein-serine/threonine kinase) intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:50925 ! EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor +[Term] +id: GOCHE:50926 +name: substance with angiogenesis modulating agent role +is_a: GOCHE:23888 ! substance with drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50926 ! angiogenesis modulating agent + +[Term] +id: GOCHE:50927 +name: substance with angiogenesis inducing agent role +is_a: GOCHE:50926 ! substance with angiogenesis modulating agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:50927 ! angiogenesis inducing agent + [Term] id: GOCHE:50949 name: substance with serotonin uptake inhibitor role @@ -42219,6 +139625,13 @@ is_a: GOCHE:50906 ! substance with role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:51086 ! chemical role +[Term] +id: GOCHE:51121 +name: substance with fluorescent dye role +is_a: GOCHE:37958 ! substance with dye role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:51121 ! fluorescent dye + [Term] id: GOCHE:51177 name: substance with antitussive role @@ -42240,6 +139653,13 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:51372 ! neuromuscular agent +[Term] +id: GOCHE:51373 +name: substance with GABA agonist role +is_a: GOCHE:51374 ! substance with GABA agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:51373 ! GABA agonist + [Term] id: GOCHE:51374 name: substance with GABA agent role @@ -42296,6 +139716,14 @@ is_a: GOCHE:51086 ! substance with chemical role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:52215 ! photochemical role +[Term] +id: GOCHE:52216 +name: substance with photobiochemical role role +is_a: GOCHE:52206 ! substance with biochemical role role +is_a: GOCHE:52215 ! substance with photochemical role role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:52216 ! photobiochemical role + [Term] id: GOCHE:52217 name: substance with pharmaceutical role @@ -42310,6 +139738,13 @@ is_a: GOCHE:24432 ! substance with biological role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:52290 ! mitogen +[Term] +id: GOCHE:52303 +name: substance with sterol methyltransferase inhibitor role +is_a: GOCHE:76871 ! substance with EC 2.1.1.* (methyltransferases) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:52303 ! sterol methyltransferase inhibitor + [Term] id: GOCHE:52424 name: substance with EC 3.2.1.* (glycosidase) inhibitor role @@ -42325,6 +139760,14 @@ is_a: GOCHE:52424 ! substance with EC 3.2.1.* (glycosidase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:52425 ! EC 3.2.1.18 (exo-alpha-sialidase) inhibitor +[Term] +id: GOCHE:52629 +name: substance with EC 3.1.26.13 (retroviral ribonuclease H) inhibitor role +is_a: GOCHE:64947 ! substance with anti-HIV-1 agent role +is_a: GOCHE:76785 ! substance with EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:52629 ! EC 3.1.26.13 (retroviral ribonuclease H) inhibitor + [Term] id: GOCHE:52726 name: substance with proteasome inhibitor role @@ -42353,6 +139796,20 @@ is_a: GOCHE:35942 ! substance with neurotransmitter agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:53353 ! GHB receptor agonist +[Term] +id: GOCHE:53431 +name: substance with chain carrier role +is_a: GOCHE:51086 ! substance with chemical role role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:53431 ! chain carrier + +[Term] +id: GOCHE:53659 +name: substance with EC 1.4.3.22 (diamine oxidase) inhibitor role +is_a: GOCHE:76861 ! substance with EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:53659 ! EC 1.4.3.22 (diamine oxidase) inhibitor + [Term] id: GOCHE:53746 name: substance with EC 1.1.1.205 (IMP dehydrogenase) inhibitor role @@ -42360,6 +139817,14 @@ is_a: GOCHE:76835 ! substance with EC 1.1.1.* (oxidoreductase acting on donor CH intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:53746 ! EC 1.1.1.205 (IMP dehydrogenase) inhibitor +[Term] +id: GOCHE:53756 +name: substance with HIV-1 reverse transcriptase inhibitor role +is_a: GOCHE:52629 ! substance with EC 3.1.26.13 (retroviral ribonuclease H) inhibitor role +is_a: GOCHE:64947 ! substance with anti-HIV-1 agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:53756 ! HIV-1 reverse transcriptase inhibitor + [Term] id: GOCHE:53784 name: substance with antispasmodic drug role @@ -42439,6 +139904,13 @@ is_a: GOCHE:59132 ! substance with antigen role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:59544 ! phosphoantigen +[Term] +id: GOCHE:59647 +name: substance with EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor role +is_a: GOCHE:76878 ! substance with EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:59647 ! EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor + [Term] id: GOCHE:59683 name: substance with antipruritic drug role @@ -42469,6 +139941,13 @@ is_a: GOCHE:50745 ! substance with progestogen role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:59826 ! progestin +[Term] +id: GOCHE:59864 +name: substance with depigmentation drug role +is_a: GOCHE:23888 ! substance with drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:59864 ! depigmentation drug + [Term] id: GOCHE:59897 name: substance with EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor role @@ -42619,6 +140098,13 @@ is_a: GOCHE:17891 ! substance with donor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:62049 ! acyl donor +[Term] +id: GOCHE:62089 +name: substance with EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor role +is_a: GOCHE:76730 ! substance with EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:62089 ! EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor + [Term] id: GOCHE:62215 name: substance with allelochemical role @@ -42633,6 +140119,20 @@ is_a: GOCHE:33280 ! substance with molecular messenger role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:62488 ! signalling molecule +[Term] +id: GOCHE:62608 +name: substance with EC 4.2.1.3 (aconitate hydratase) inhibitor role +is_a: GOCHE:76907 ! substance with EC 4.2.1.* (hydro-lyases) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:62608 ! EC 4.2.1.3 (aconitate hydratase) inhibitor + +[Term] +id: GOCHE:62609 +name: substance with EC 3.11.1.3 (phosphonopyruvate hydrolase) inhibitor role +is_a: GOCHE:76883 ! substance with EC 3.11.1.* (hydrolases acting on C-P bonds of phosphono-acetaldehyde, -acetate, or -pyruvate) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:62609 ! EC 3.11.1.3 (phosphonopyruvate hydrolase) inhibitor + [Term] id: GOCHE:62803 name: substance with fuel additive role @@ -42647,6 +140147,13 @@ is_a: GOCHE:50267 ! substance with protective agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:62868 ! hepatoprotective agent +[Term] +id: GOCHE:62871 +name: substance with EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor role +is_a: GOCHE:76832 ! substance with EC 4.3.1.* (ammonia-lyase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:62871 ! EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor + [Term] id: GOCHE:62872 name: substance with EC 1.2.3.1 (aldehyde oxidase) inhibitor role @@ -42654,6 +140161,13 @@ is_a: GOCHE:76853 ! substance with EC 1.2.3.* (oxidoreductase acting on donor al intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:62872 ! EC 1.2.3.1 (aldehyde oxidase) inhibitor +[Term] +id: GOCHE:62873 +name: substance with odorant receptor agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:62873 ! odorant receptor agonist + [Term] id: GOCHE:62913 name: substance with EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor role @@ -42661,6 +140175,13 @@ is_a: GOCHE:76790 ! substance with EC 2.4.2.* (pentosyltransferase) inhibitor ro intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:62913 ! EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor +[Term] +id: GOCHE:62915 +name: substance with sialyltransferase inhibitor role +is_a: GOCHE:76882 ! substance with EC 2.4.99.* (glycosyltransferases transferring other glycosyl groups) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:62915 ! sialyltransferase inhibitor + [Term] id: GOCHE:63046 name: substance with emulsifier role @@ -42683,6 +140204,20 @@ is_a: GOCHE:48705 ! substance with agonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:63114 ! sphingosine-1-phosphate receptor agonist +[Term] +id: GOCHE:63156 +name: substance with EC 1.1.3.13 (alcohol oxidase) inhibitor role +is_a: GOCHE:76836 ! substance with EC 1.1.3.* (oxidoreductase acting on donor CH-OH group, oxygen as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:63156 ! EC 1.1.3.13 (alcohol oxidase) inhibitor + +[Term] +id: GOCHE:63157 +name: substance with EC 4.2.1.22 (cystathionine beta-synthase) inhibitor role +is_a: GOCHE:76907 ! substance with EC 4.2.1.* (hydro-lyases) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:63157 ! EC 4.2.1.22 (cystathionine beta-synthase) inhibitor + [Term] id: GOCHE:63158 name: substance with EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor role @@ -42711,6 +140246,13 @@ is_a: GOCHE:51086 ! substance with chemical role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:63248 ! oxidising agent +[Term] +id: GOCHE:63330 +name: substance with sodium-dependent Pi-transporter inhibitor role +is_a: GOCHE:35222 ! substance with inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:63330 ! sodium-dependent Pi-transporter inhibitor + [Term] id: GOCHE:63332 name: substance with EC 3.1.3.1 (alkaline phosphatase) inhibitor role @@ -42725,6 +140267,13 @@ is_a: GOCHE:51086 ! substance with chemical role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:63490 ! explosive +[Term] +id: GOCHE:63510 +name: substance with EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor role +is_a: GOCHE:76895 ! substance with EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:63510 ! EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor + [Term] id: GOCHE:63726 name: substance with neuroprotective agent role @@ -42739,6 +140288,20 @@ is_a: GOCHE:48705 ! substance with agonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:63794 ! retinoid X receptor agonist +[Term] +id: GOCHE:63932 +name: substance with EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor role +is_a: GOCHE:76847 ! substance with EC 1.14.16.* (oxidoreductase acting on paired donors, reduced pteridine as one donor, incorporating 1 atom of oxygen) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:63932 ! EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor + +[Term] +id: GOCHE:63951 +name: substance with estrogen receptor agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:63951 ! estrogen receptor agonist + [Term] id: GOCHE:63962 name: substance with Hsp90 inhibitor role @@ -42753,6 +140316,13 @@ is_a: GOCHE:64106 ! substance with protein kinase agonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:64018 ! protein kinase C agonist +[Term] +id: GOCHE:64033 +name: substance with EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor role +is_a: GOCHE:76807 ! substance with EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:64033 ! EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor + [Term] id: GOCHE:64047 name: substance with food additive role @@ -42925,6 +140495,13 @@ is_a: GOCHE:35820 ! substance with antiprotozoal drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:64915 ! antiplasmodial drug +[Term] +id: GOCHE:64919 +name: substance with EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor role +is_a: GOCHE:76878 ! substance with EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:64919 ! EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor + [Term] id: GOCHE:64926 name: substance with serine protease inhibitor role @@ -42932,6 +140509,13 @@ is_a: GOCHE:37670 ! substance with protease inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:64926 ! serine protease inhibitor +[Term] +id: GOCHE:64933 +name: substance with melanin synthesis inhibitor role +is_a: GOCHE:59864 ! substance with depigmentation drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:64933 ! melanin synthesis inhibitor + [Term] id: GOCHE:64946 name: substance with anti-HIV agent role @@ -42939,6 +140523,20 @@ is_a: GOCHE:22587 ! substance with antiviral agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:64946 ! anti-HIV agent +[Term] +id: GOCHE:64947 +name: substance with anti-HIV-1 agent role +is_a: GOCHE:64946 ! substance with anti-HIV agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:64947 ! anti-HIV-1 agent + +[Term] +id: GOCHE:64951 +name: substance with anti-HBV agent role +is_a: GOCHE:22587 ! substance with antiviral agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:64951 ! anti-HBV agent + [Term] id: GOCHE:64952 name: substance with anti-HSV agent role @@ -42961,6 +140559,13 @@ is_a: GOCHE:76837 ! substance with EC 1.13.11.* (oxidoreductase acting on single intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:64964 ! EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor +[Term] +id: GOCHE:64995 +name: substance with EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor role +is_a: GOCHE:35856 ! substance with lipoxygenase inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:64995 ! EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor + [Term] id: GOCHE:64996 name: substance with EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor role @@ -43046,6 +140651,13 @@ is_a: GOCHE:5924 ! substance with EC 3.4.21.* (serine endopeptidase) inhibitor r intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor +[Term] +id: GOCHE:65254 +name: substance with LRH-1 agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:65254 ! LRH-1 agonist + [Term] id: GOCHE:65255 name: substance with food preservative role @@ -43083,6 +140695,13 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:66980 ! nootropic agent +[Term] +id: GOCHE:66981 +name: substance with ophthalmology drug role +is_a: GOCHE:23888 ! substance with drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:66981 ! ophthalmology drug + [Term] id: GOCHE:66987 name: substance with radiation protective agent role @@ -43197,6 +140816,13 @@ is_a: GOCHE:91079 ! substance with purinergic receptor P2 antagonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:68563 ! P2Y12 receptor antagonist +[Term] +id: GOCHE:68612 +name: substance with EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor role +is_a: GOCHE:76788 ! substance with EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:68612 ! EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor + [Term] id: GOCHE:70709 name: substance with progesterone receptor agonist role @@ -43204,6 +140830,13 @@ is_a: GOCHE:51060 ! substance with hormone agonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:70709 ! progesterone receptor agonist +[Term] +id: GOCHE:70722 +name: substance with EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor role +is_a: GOCHE:76824 ! substance with EC 6.4.1.* (carboxylase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor + [Term] id: GOCHE:70724 name: substance with cell dedifferentiation agent role @@ -43324,6 +140957,28 @@ is_a: GOCHE:76878 ! substance with EC 2.3.1.* (acyltransferase transferring othe intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:71476 ! EC 2.3.1.85 (fatty acid synthase) inhibitor +[Term] +id: GOCHE:71551 +name: substance with EC 3.5.1.23 (ceramidase) inhibitor role +is_a: GOCHE:76807 ! substance with EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:71551 ! EC 3.5.1.23 (ceramidase) inhibitor + +[Term] +id: GOCHE:71554 +name: substance with PPARgamma agonist role +is_a: GOCHE:48705 ! substance with agonist role +is_a: GOCHE:70781 ! substance with PPAR modulator role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:71554 ! PPARgamma agonist + +[Term] +id: GOCHE:71692 +name: substance with insect repellent role +is_a: GOCHE:24852 ! substance with insecticide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:71692 ! insect repellent + [Term] id: GOCHE:72316 name: substance with virulence factor role @@ -43331,6 +140986,20 @@ is_a: GOCHE:27026 ! substance with toxin role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:72316 ! virulence factor +[Term] +id: GOCHE:72571 +name: substance with pro-angiogenic agent role +is_a: GOCHE:50926 ! substance with angiogenesis modulating agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:72571 ! pro-angiogenic agent + +[Term] +id: GOCHE:72575 +name: substance with alarm pheromone role +is_a: GOCHE:26013 ! substance with pheromone role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:72575 ! alarm pheromone + [Term] id: GOCHE:72768 name: substance with aryl hydrocarbon receptor agonist role @@ -43338,6 +141007,21 @@ is_a: GOCHE:48705 ! substance with agonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:72768 ! aryl hydrocarbon receptor agonist +[Term] +id: GOCHE:72771 +name: substance with breast cancer resistance protein inhibitor role +is_a: GOCHE:35222 ! substance with inhibitor role +is_a: GOCHE:52206 ! substance with biochemical role role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:72771 ! breast cancer resistance protein inhibitor + +[Term] +id: GOCHE:72854 +name: substance with EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor role +is_a: GOCHE:76837 ! substance with EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:72854 ! EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor + [Term] id: GOCHE:73136 name: substance with EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor role @@ -43387,6 +141071,20 @@ is_a: GOCHE:35544 ! substance with EC 1.14.99.1 (prostaglandin-endoperoxide synt intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:73263 ! cyclooxygenase 3 inhibitor +[Term] +id: GOCHE:73267 +name: substance with oxidative phosphorylation inhibitor role +is_a: GOCHE:35222 ! substance with inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:73267 ! oxidative phosphorylation inhibitor + +[Term] +id: GOCHE:73296 +name: substance with cholecystokinin antagonist role +is_a: GOCHE:49020 ! substance with hormone antagonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:73296 ! cholecystokinin antagonist + [Term] id: GOCHE:73311 name: substance with adenosine receptor agonist role @@ -43394,6 +141092,13 @@ is_a: GOCHE:48705 ! substance with agonist role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:73311 ! adenosine receptor agonist +[Term] +id: GOCHE:73333 +name: substance with scabicide role +is_a: GOCHE:22153 ! substance with acaricide role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:73333 ! scabicide + [Term] id: GOCHE:73335 name: substance with ultraviolet filter role @@ -43422,6 +141127,14 @@ is_a: GOCHE:73360 ! substance with EC 3.4.11.18 (methionyl aminopeptidase) inhib intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:73361 ! methionine aminopeptidase 2 inhibitor +[Term] +id: GOCHE:73730 +name: substance with PPARbeta/delta agonist role +is_a: GOCHE:48705 ! substance with agonist role +is_a: GOCHE:70781 ! substance with PPAR modulator role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:73730 ! PPARbeta/delta agonist + [Term] id: GOCHE:73913 name: substance with antifolate role @@ -43429,6 +141142,13 @@ is_a: GOCHE:35221 ! substance with antimetabolite role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:73913 ! antifolate +[Term] +id: GOCHE:73966 +name: substance with nitric oxide synthase activator role +is_a: GOCHE:35224 ! substance with effector role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:73966 ! nitric oxide synthase activator + [Term] id: GOCHE:74213 name: substance with EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor role @@ -43436,6 +141156,13 @@ is_a: GOCHE:76848 ! substance with EC 1.17.4.* (oxidoreductase acting on CH or C intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor +[Term] +id: GOCHE:74518 +name: substance with anti-obesity agent role +is_a: GOCHE:52210 ! substance with pharmacological role role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:74518 ! anti-obesity agent + [Term] id: GOCHE:74529 name: substance with antidote to paracetamol poisoning role @@ -43457,6 +141184,20 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:74783 ! astringent +[Term] +id: GOCHE:74925 +name: substance with EC 3.4.23.46 (memapsin 2) inhibitor role +is_a: GOCHE:76885 ! substance with EC 3.4.23.* (aspartic endopeptidase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:74925 ! EC 3.4.23.46 (memapsin 2) inhibitor + +[Term] +id: GOCHE:74949 +name: substance with EC 3.1.27.3 (ribonuclease T1) inhibitor role +is_a: GOCHE:76791 ! substance with EC 3.1.27.* (endoribonucleases producing other than 5'-phosphomonoesters) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:74949 ! EC 3.1.27.3 (ribonuclease T1) inhibitor + [Term] id: GOCHE:75050 name: substance with chromogenic compound role @@ -43478,6 +141219,13 @@ is_a: GOCHE:83317 ! substance with sterol biosynthesis inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:75282 ! ergosterol biosynthesis inhibitor +[Term] +id: GOCHE:75325 +name: substance with cathartic role +is_a: GOCHE:52208 ! substance with biophysical role role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:75325 ! cathartic + [Term] id: GOCHE:75380 name: substance with EC 1.11.1.6 (catalase) inhibitor role @@ -43492,6 +141240,20 @@ is_a: GOCHE:76738 ! substance with EC 1.11.* (oxidoreductase acting on peroxide intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor +[Term] +id: GOCHE:75414 +name: substance with platelet-activating factor receptor agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:75414 ! platelet-activating factor receptor agonist + +[Term] +id: GOCHE:75416 +name: substance with EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor role +is_a: GOCHE:76706 ! substance with EC 6.1.* (C-O bond-forming ligase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:75416 ! EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor + [Term] id: GOCHE:75596 name: substance with EC 5.* (isomerase) inhibitor role @@ -43591,6 +141353,14 @@ is_a: GOCHE:33232 ! substance with application role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76414 ! propellant +[Term] +id: GOCHE:76498 +name: substance with coral metabolite role +is_a: GOCHE:75767 ! substance with animal metabolite role +is_a: GOCHE:76507 ! substance with marine metabolite role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76498 ! coral metabolite + [Term] id: GOCHE:76507 name: substance with marine metabolite role @@ -43648,6 +141418,13 @@ is_a: GOCHE:76834 ! substance with EC 2.5.* (non-methyl-alkyl or aryl transferas intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor +[Term] +id: GOCHE:76665 +name: substance with EC 2.6.* (nitrogenous group transferase) inhibitor role +is_a: GOCHE:71300 ! substance with EC 2.* (transferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76665 ! EC 2.6.* (nitrogenous group transferase) inhibitor + [Term] id: GOCHE:76668 name: substance with EC 2.7.* (P-containing group transferase) inhibitor role @@ -43669,6 +141446,13 @@ is_a: GOCHE:75596 ! substance with EC 5.* (isomerase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76697 ! EC 5.99.* (other isomerases) inhibitor +[Term] +id: GOCHE:76706 +name: substance with EC 6.1.* (C-O bond-forming ligase) inhibitor role +is_a: GOCHE:75603 ! substance with EC 6.* (ligase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76706 ! EC 6.1.* (C-O bond-forming ligase) inhibitor + [Term] id: GOCHE:76710 name: substance with EC 4.* (lyase) inhibitor role @@ -43697,6 +141481,13 @@ is_a: GOCHE:76710 ! substance with EC 4.* (lyase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76713 ! EC 4.3.* (C-N lyase) inhibitor +[Term] +id: GOCHE:76714 +name: substance with EC 4.4.* (C-S lyase) inhibitor role +is_a: GOCHE:76710 ! substance with EC 4.* (lyase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76714 ! EC 4.4.* (C-S lyase) inhibitor + [Term] id: GOCHE:76725 name: substance with EC 1.* (oxidoreductase) inhibitor role @@ -43795,6 +141586,13 @@ is_a: GOCHE:76725 ! substance with EC 1.* (oxidoreductase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76744 ! EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor +[Term] +id: GOCHE:76748 +name: substance with EC 1.21.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond) inhibitor role +is_a: GOCHE:76725 ! substance with EC 1.* (oxidoreductase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76748 ! EC 1.21.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond) inhibitor + [Term] id: GOCHE:76759 name: substance with EC 3.* (hydrolase) inhibitor role @@ -43823,6 +141621,13 @@ is_a: GOCHE:76759 ! substance with EC 3.* (hydrolase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor +[Term] +id: GOCHE:76770 +name: substance with EC 3.11.* (hydrolases acting on C-P bonds) inhibitor role +is_a: GOCHE:76759 ! substance with EC 3.* (hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76770 ! EC 3.11.* (hydrolases acting on C-P bonds) inhibitor + [Term] id: GOCHE:76773 name: substance with EC 3.1.1.* (carboxylic ester hydrolase) inhibitor role @@ -43851,6 +141656,13 @@ is_a: GOCHE:60258 ! substance with EC 3.4.* (hydrolases acting on peptide bond) intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76782 ! EC 3.4.15.* (peptidyl-dipeptidase) inhibitor +[Term] +id: GOCHE:76785 +name: substance with EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor role +is_a: GOCHE:76760 ! substance with EC 3.1.* (ester hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76785 ! EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor + [Term] id: GOCHE:76787 name: substance with EC 3.4.11.* (aminopeptidase) inhibitor role @@ -43865,6 +141677,13 @@ is_a: GOCHE:60258 ! substance with EC 3.4.* (hydrolases acting on peptide bond) intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76788 ! EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor +[Term] +id: GOCHE:76789 +name: substance with EC 2.4.1.* (hexosyltransferase) inhibitor role +is_a: GOCHE:76662 ! substance with EC 2.4.* (glycosyltransferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76789 ! EC 2.4.1.* (hexosyltransferase) inhibitor + [Term] id: GOCHE:76790 name: substance with EC 2.4.2.* (pentosyltransferase) inhibitor role @@ -43872,6 +141691,13 @@ is_a: GOCHE:76662 ! substance with EC 2.4.* (glycosyltransferase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76790 ! EC 2.4.2.* (pentosyltransferase) inhibitor +[Term] +id: GOCHE:76791 +name: substance with EC 3.1.27.* (endoribonucleases producing other than 5'-phosphomonoesters) inhibitor role +is_a: GOCHE:76760 ! substance with EC 3.1.* (ester hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76791 ! EC 3.1.27.* (endoribonucleases producing other than 5'-phosphomonoesters) inhibitor + [Term] id: GOCHE:76796 name: substance with EC 3.4.22.* (cysteine endopeptidase) inhibitor role @@ -43900,6 +141726,13 @@ is_a: GOCHE:76764 ! substance with EC 3.5.* (hydrolases acting on non-peptide C- intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76808 ! EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor +[Term] +id: GOCHE:76809 +name: substance with EC 3.5.4.* (non-peptide cyclic amidine C-N hydrolase) inhibitor role +is_a: GOCHE:76764 ! substance with EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76809 ! EC 3.5.4.* (non-peptide cyclic amidine C-N hydrolase) inhibitor + [Term] id: GOCHE:76811 name: substance with EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor role @@ -43965,6 +141798,13 @@ is_a: GOCHE:76697 ! substance with EC 5.99.* (other isomerases) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76830 ! EC 5.99.1.* (miscellaneous isomerase) inhibitor +[Term] +id: GOCHE:76831 +name: substance with EC 4.4.1.* (C-S lyase) inhibitor role +is_a: GOCHE:76714 ! substance with EC 4.4.* (C-S lyase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76831 ! EC 4.4.1.* (C-S lyase) inhibitor + [Term] id: GOCHE:76832 name: substance with EC 4.3.1.* (ammonia-lyase) inhibitor role @@ -43986,6 +141826,13 @@ is_a: GOCHE:76726 ! substance with EC 1.1.* (oxidoreductase acting on donor CH-O intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor +[Term] +id: GOCHE:76836 +name: substance with EC 1.1.3.* (oxidoreductase acting on donor CH-OH group, oxygen as acceptor) inhibitor role +is_a: GOCHE:76726 ! substance with EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76836 ! EC 1.1.3.* (oxidoreductase acting on donor CH-OH group, oxygen as acceptor) inhibitor + [Term] id: GOCHE:76837 name: substance with EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor role @@ -44021,6 +141868,13 @@ is_a: GOCHE:76741 ! substance with EC 1.14.* (oxidoreductase acting on paired do intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76845 ! EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor +[Term] +id: GOCHE:76847 +name: substance with EC 1.14.16.* (oxidoreductase acting on paired donors, reduced pteridine as one donor, incorporating 1 atom of oxygen) inhibitor role +is_a: GOCHE:76741 ! substance with EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76847 ! EC 1.14.16.* (oxidoreductase acting on paired donors, reduced pteridine as one donor, incorporating 1 atom of oxygen) inhibitor + [Term] id: GOCHE:76848 name: substance with EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor role @@ -44112,6 +141966,13 @@ is_a: GOCHE:76661 ! substance with EC 2.3.* (acyltransferase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor +[Term] +id: GOCHE:76879 +name: substance with EC 2.6.1.* (transaminase) inhibitor role +is_a: GOCHE:76665 ! substance with EC 2.6.* (nitrogenous group transferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76879 ! EC 2.6.1.* (transaminase) inhibitor + [Term] id: GOCHE:76881 name: substance with EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor role @@ -44119,6 +141980,27 @@ is_a: GOCHE:76668 ! substance with EC 2.7.* (P-containing group transferase) inh intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor +[Term] +id: GOCHE:76882 +name: substance with EC 2.4.99.* (glycosyltransferases transferring other glycosyl groups) inhibitor role +is_a: GOCHE:76662 ! substance with EC 2.4.* (glycosyltransferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76882 ! EC 2.4.99.* (glycosyltransferases transferring other glycosyl groups) inhibitor + +[Term] +id: GOCHE:76883 +name: substance with EC 3.11.1.* (hydrolases acting on C-P bonds of phosphono-acetaldehyde, -acetate, or -pyruvate) inhibitor role +is_a: GOCHE:76770 ! substance with EC 3.11.* (hydrolases acting on C-P bonds) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76883 ! EC 3.11.1.* (hydrolases acting on C-P bonds of phosphono-acetaldehyde, -acetate, or -pyruvate) inhibitor + +[Term] +id: GOCHE:76885 +name: substance with EC 3.4.23.* (aspartic endopeptidase) inhibitor role +is_a: GOCHE:60258 ! substance with EC 3.4.* (hydrolases acting on peptide bond) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:76885 ! EC 3.4.23.* (aspartic endopeptidase) inhibitor + [Term] id: GOCHE:76891 name: substance with EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor role @@ -44291,6 +142173,13 @@ is_a: GOCHE:76775 ! substance with EC 3.1.3.* (phosphoric monoester hydrolase) i intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77024 ! EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor +[Term] +id: GOCHE:77034 +name: substance with mucolytic role +is_a: GOCHE:23888 ! substance with drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77034 ! mucolytic + [Term] id: GOCHE:77035 name: substance with expectorant role @@ -44298,6 +142187,48 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77035 ! expectorant +[Term] +id: GOCHE:77089 +name: substance with EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor role +is_a: GOCHE:76663 ! substance with EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77089 ! EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor + +[Term] +id: GOCHE:77090 +name: substance with EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor role +is_a: GOCHE:76832 ! substance with EC 4.3.1.* (ammonia-lyase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77090 ! EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor + +[Term] +id: GOCHE:77102 +name: substance with EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor role +is_a: GOCHE:76729 ! substance with EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77102 ! EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor + +[Term] +id: GOCHE:77108 +name: substance with EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor role +is_a: GOCHE:76835 ! substance with EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77108 ! EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor + +[Term] +id: GOCHE:77109 +name: substance with EC 1.21.3.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond, with oxygen as acceptor) inhibitor role +is_a: GOCHE:76748 ! substance with EC 1.21.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77109 ! EC 1.21.3.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond, with oxygen as acceptor) inhibitor + +[Term] +id: GOCHE:77110 +name: substance with EC 1.21.3.3 (reticuline oxidase) inhibitor role +is_a: GOCHE:77109 ! substance with EC 1.21.3.* (oxidoreductase acting on X-H and Y-H to form an X-Y bond, with oxygen as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77110 ! EC 1.21.3.3 (reticuline oxidase) inhibitor + [Term] id: GOCHE:77111 name: substance with EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor role @@ -44305,6 +142236,34 @@ is_a: GOCHE:76871 ! substance with EC 2.1.1.* (methyltransferases) inhibitor rol intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77111 ! EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor +[Term] +id: GOCHE:77113 +name: substance with EC 2.7.11.10 (IkappaB kinase) inhibitor role +is_a: GOCHE:76812 ! substance with EC 2.7.11.* (protein-serine/threonine kinase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77113 ! EC 2.7.11.10 (IkappaB kinase) inhibitor + +[Term] +id: GOCHE:77115 +name: substance with EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor role +is_a: GOCHE:76871 ! substance with EC 2.1.1.* (methyltransferases) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77115 ! EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor + +[Term] +id: GOCHE:77117 +name: substance with EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor role +is_a: GOCHE:76764 ! substance with EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77117 ! EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor + +[Term] +id: GOCHE:77118 +name: substance with EC 3.5.5.1 (nitrilase) inhhibitor role +is_a: GOCHE:77117 ! substance with EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77118 ! EC 3.5.5.1 (nitrilase) inhhibitor + [Term] id: GOCHE:77119 name: substance with EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor role @@ -44326,6 +142285,13 @@ is_a: GOCHE:64047 ! substance with food additive role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77182 ! food colouring +[Term] +id: GOCHE:77194 +name: substance with EC 2.7.1.33 (pantothenate kinase) inhibitor role +is_a: GOCHE:76881 ! substance with EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77194 ! EC 2.7.1.33 (pantothenate kinase) inhibitor + [Term] id: GOCHE:77255 name: substance with EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor role @@ -44340,6 +142306,20 @@ is_a: GOCHE:50267 ! substance with protective agent role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77307 ! cardioprotective agent +[Term] +id: GOCHE:77318 +name: substance with pregnane X receptor agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77318 ! pregnane X receptor agonist + +[Term] +id: GOCHE:77326 +name: substance with androstane receptor agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77326 ! androstane receptor agonist + [Term] id: GOCHE:77425 name: substance with EC 1.1.1.188 (prostaglandin-F synthase) inhibitor role @@ -44396,6 +142376,13 @@ is_a: GOCHE:77705 ! substance with EC 3.4.19.* (omega-peptidase) inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77706 ! EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor +[Term] +id: GOCHE:77715 +name: substance with nasal decongestant role +is_a: GOCHE:23888 ! substance with drug role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77715 ! nasal decongestant + [Term] id: GOCHE:77746 name: substance with human metabolite role @@ -44432,6 +142419,21 @@ is_a: GOCHE:65255 ! substance with food preservative role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77962 ! food antioxidant +[Term] +id: GOCHE:77964 +name: substance with anticaking agent role +is_a: GOCHE:33232 ! substance with application role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77964 ! anticaking agent + +[Term] +id: GOCHE:77965 +name: substance with food anticaking agent role +is_a: GOCHE:64047 ! substance with food additive role +is_a: GOCHE:77964 ! substance with anticaking agent role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77965 ! food anticaking agent + [Term] id: GOCHE:77966 name: substance with food stabiliser role @@ -44439,6 +142441,21 @@ is_a: GOCHE:64047 ! substance with food additive role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77966 ! food stabiliser +[Term] +id: GOCHE:77968 +name: substance with humectant role +is_a: GOCHE:33232 ! substance with application role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77968 ! humectant + +[Term] +id: GOCHE:77969 +name: substance with food humectant role +is_a: GOCHE:64047 ! substance with food additive role +is_a: GOCHE:77968 ! substance with humectant role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77969 ! food humectant + [Term] id: GOCHE:77970 name: substance with food thickening agent role @@ -44446,6 +142463,13 @@ is_a: GOCHE:64047 ! substance with food additive role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:77970 ! food thickening agent +[Term] +id: GOCHE:77971 +name: substance with raising agent role +is_a: GOCHE:64047 ! substance with food additive role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:77971 ! raising agent + [Term] id: GOCHE:77974 name: substance with food packaging gas role @@ -44461,6 +142485,13 @@ is_a: GOCHE:64047 ! substance with food additive role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:78003 ! food bleaching agent +[Term] +id: GOCHE:78004 +name: substance with food bulking agent role +is_a: GOCHE:64047 ! substance with food additive role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:78004 ! food bulking agent + [Term] id: GOCHE:78016 name: substance with food gelling agent role @@ -44476,6 +142507,13 @@ is_a: GOCHE:76414 ! substance with propellant role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:78017 ! food propellant +[Term] +id: GOCHE:78059 +name: substance with food additive carrier role +is_a: GOCHE:64047 ! substance with food additive role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:78059 ! food additive carrier + [Term] id: GOCHE:78295 name: substance with food component role @@ -44490,6 +142528,14 @@ is_a: GOCHE:51086 ! substance with chemical role role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:78298 ! environmental contaminant +[Term] +id: GOCHE:78299 +name: substance with environmental food contaminant role +is_a: GOCHE:78295 ! substance with food component role +is_a: GOCHE:78298 ! substance with environmental contaminant role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:78299 ! environmental food contaminant + [Term] id: GOCHE:78361 name: substance with lichen metabolite role @@ -44505,6 +142551,27 @@ is_a: GOCHE:76881 ! substance with EC 2.7.1.* (phosphotransferases with an alcoh intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:78366 ! EC 2.7.1.1 (hexokinase) inhibitor +[Term] +id: GOCHE:78372 +name: substance with EC 3.1.1.5 (lysophospholipase) inhibitor role +is_a: GOCHE:76773 ! substance with EC 3.1.1.* (carboxylic ester hydrolase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:78372 ! EC 3.1.1.5 (lysophospholipase) inhibitor + +[Term] +id: GOCHE:78377 +name: substance with EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor role +is_a: GOCHE:76857 ! substance with EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:78377 ! EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor + +[Term] +id: GOCHE:78379 +name: substance with EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor role +is_a: GOCHE:76663 ! substance with EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:78379 ! EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor + [Term] id: GOCHE:78433 name: substance with refrigerant role @@ -44540,6 +142607,13 @@ is_a: GOCHE:25212 ! substance with metabolite role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:78675 ! fundamental metabolite +[Term] +id: GOCHE:78691 +name: substance with EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor role +is_a: GOCHE:76878 ! substance with EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:78691 ! EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor + [Term] id: GOCHE:78803 name: substance with nematode metabolite role @@ -44576,6 +142650,20 @@ is_a: GOCHE:76812 ! substance with EC 2.7.11.* (protein-serine/threonine kinase) intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:79091 ! EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor +[Term] +id: GOCHE:79314 +name: substance with flame retardant role +is_a: GOCHE:33232 ! substance with application role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:79314 ! flame retardant + +[Term] +id: GOCHE:79392 +name: substance with EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor role +is_a: GOCHE:75416 ! substance with EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:79392 ! EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor + [Term] id: GOCHE:82632 name: substance with phytochrome chromophore role @@ -44618,6 +142706,13 @@ is_a: GOCHE:83039 ! substance with crustacean metabolite role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:83057 ! Daphnia metabolite +[Term] +id: GOCHE:83072 +name: substance with EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor role +is_a: GOCHE:77102 ! substance with EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:83072 ! EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor + [Term] id: GOCHE:83146 name: substance with Daphnia tenebrosa metabolite role @@ -44641,6 +142736,27 @@ is_a: GOCHE:76507 ! substance with marine metabolite role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:83399 ! marine xenobiotic metabolite +[Term] +id: GOCHE:83757 +name: substance with EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor role +is_a: GOCHE:76789 ! substance with EC 2.4.1.* (hexosyltransferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:83757 ! EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor + +[Term] +id: GOCHE:83760 +name: substance with EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor role +is_a: GOCHE:76789 ! substance with EC 2.4.1.* (hexosyltransferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:83760 ! EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor + +[Term] +id: GOCHE:83762 +name: substance with EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor role +is_a: GOCHE:76789 ! substance with EC 2.4.1.* (hexosyltransferase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:83762 ! EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor + [Term] id: GOCHE:84087 name: substance with human urinary metabolite role @@ -44662,6 +142778,13 @@ is_a: GOCHE:75763 ! substance with eukaryotic metabolite role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:84735 ! algal metabolite +[Term] +id: GOCHE:85011 +name: substance with EC 2.6.1.19 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor role +is_a: GOCHE:76879 ! substance with EC 2.6.1.* (transaminase) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:85011 ! EC 2.6.1.19 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor + [Term] id: GOCHE:85046 name: substance with skin lightening agent role @@ -44711,6 +142834,13 @@ is_a: GOCHE:77746 ! substance with human metabolite role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:85234 ! human blood serum metabolite +[Term] +id: GOCHE:85424 +name: substance with glycine transporter 2 inhibitor role +is_a: GOCHE:85425 ! substance with glycine transporter inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:85424 ! glycine transporter 2 inhibitor + [Term] id: GOCHE:85425 name: substance with glycine transporter inhibitor role @@ -44718,6 +142848,13 @@ is_a: GOCHE:35222 ! substance with inhibitor role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:85425 ! glycine transporter inhibitor +[Term] +id: GOCHE:86029 +name: substance with liver X receptor agonist role +is_a: GOCHE:48705 ! substance with agonist role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:86029 ! liver X receptor agonist + [Term] id: GOCHE:86264 name: substance with rat metabolite role @@ -44802,6 +142939,27 @@ is_a: GOCHE:23888 ! substance with drug role intersection_of: CHEBI:24431 ! chemical entity intersection_of: has_role CHEBI:90710 ! receptor modulator +[Term] +id: GOCHE:90749 +name: substance with antidote to cyanide poisoning role +is_a: GOCHE:50247 ! substance with antidote role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:90749 ! antidote to cyanide poisoning + +[Term] +id: GOCHE:90920 +name: substance with EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitor role +is_a: GOCHE:76735 ! substance with EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:90920 ! EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitor + +[Term] +id: GOCHE:90921 +name: substance with EC 1.8.5.4 (sulfide:quinone reductase) inhibitor role +is_a: GOCHE:90920 ! substance with EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitor role +intersection_of: CHEBI:24431 ! chemical entity +intersection_of: has_role CHEBI:90921 ! EC 1.8.5.4 (sulfide:quinone reductase) inhibitor + [Term] id: GOCHE:91025 name: substance with erythropoietin inhibitor role diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index bd812b9d95..5339affb6b 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -1,13 +1,13 @@ + xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> @@ -136,6 +136,21 @@ + + + + + + + + + + + (-)-medicarpin + + + + @@ -199,6 +214,50 @@ + + + + + + wax ester + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + wogonin + + + + @@ -237,6 +296,16 @@ + + + + + + zingiberene + + + + @@ -294,6 +363,33 @@ + + + + + + alpha-amyrin + + + + + + + + + + + + + + + + + cedr-8-ene + + + + @@ -304,6 +400,50 @@ + + + + + alpha-cryptoxanthin + + + + + + + + + (9Z,11E,13E)-octadeca-9,11,13-trienoic acid + + + + + + + + + + + + + + + + + alpha-eudesmol + + + + + + + + + (E,E)-alpha-farnesene + + + + @@ -336,6 +476,27 @@ + + + + + + + + + + + + + + + + + alpha-terpinene + + + + @@ -358,313 +519,349 @@ - + - - + + - + - beta-endorphin - - - - - - - - - electron + + + + + + + + + + + + + (-)-beta-caryophyllene - + - - - - omega-hydroxy fatty acid + + + (-)-beta-chamigrene - + - - + + - + - scyllo-inositol + + + + + + + + + + + + + + + + + + + beta-cryptoxanthin - + - - + + + - + - (R)-3-hydroxybutyrate + beta-cubebene - + - - - (S)-3-hydroxybutyrate + + + (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one - + - - - (S)-carnitine + + + + + + + + + + + + + + + alpha-methylene gamma-butyrolactone - + - - - + + - + - (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate + beta-endorphin - + - - - 2'-(5-triphosphoribosyl)-3'-dephospho-CoA + + + + + + + + + + + beta-eudesmol - + - - - (2S)-2-ammonio-5-{[iminio(methylamino)methyl]amino}pentanoate + + + + + + + + + + + + + + + trans-beta-farnesene - + - - - - 2-hydroxyglutarate(2-) + + + beta-ocimene - + - - - - 2-methylbut-2-enoyl-coenzyme A + + + + + + + + + + + + (-)-beta-santalene - + - - - 3-deoxy-D-manno-octulosonic acid + + + (+)-beta-selinene - + - - + + - + - N-carbamoyl-beta-alaninate + dTDP-beta-L-mycarose - + - - - - 4-amino-3-hydroxybutanoate + + + electron - + - - - - 5-phosphoribosyl diphosphate + + + gamma-pentachlorocyclohexene - + - - + + + + - - - - sophorose - - - - - - - - - - 2-polyprenylphenol - - - - - - - - - - - - - - - - - - - - - - - - + - - + + - + - + - vitamin A + gamma-terpinene - + - - - - - - - - - - - - - - - - - - - - + + + + + + + 2-dehydro-3-deoxy-D-arabinonic acid + + + + + + + + + + omega-hydroxy fatty acid + + + + + + + + + + sphingomyelin d18:1/16:0 + + + + + + + + - isopentenyl diphosphate(3-) + scyllo-inositol - + - - + + - + - D-galactonate + (3S)-3-hydroxy-L-aspartic acid - + - - - + + - + @@ -673,3001 +870,2760 @@ - D-galactose + 2-cis,6-trans,10-trans-geranylgeranyl diphosphate - + - - + + + + - + - aldehydo-D-galacturonate - - - - - - - - - - 3-hydroxy-3-butenoic acid + + + + + + + trans-dec-2-enoyl-CoA - + - - - hexopyranosyl hexopyranoside + + + (-)-perillyl alcohol - + - - - - - - - - - - - - - - - - - carcinine + + + methylenediurea - + - - - pyridoxal(1+) + + + 2',3,4,4',6'-pentahydroxychalcone - + - - - pyridoxamine(2+) + + + (E)-cinnamoyl-CoA - + - - - - steroid aldehyde + + + (R)-2,3,4,5-tetrahydrodipicolinate(2-) - + - - - Mycoplasma genitalium metabolite + + + (R)-2-benzylsuccinyl-CoA - + - - - dicarboxylic acid monoester(1-) + + + (R)-3-[(R)-3-hydroxybutanoyloxy]butanoate - + - - - C27-steroid + + + (R)-3-(4-hydroxyphenyl)lactate - + - - - C24-steroid + + + + + + + + + (R)-3-hydroxybutyrate - + - - - C19-steroid + + + + + + + + + (R)-4'-phosphonatopantothenate(3-) - + - - - cholane derivative + + + + (R)-3-phenyllactate - + - - - Sec-tRNA(Sec) + + + (R)-phenyllactoyl-CoA - + - - - EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor + + + + (S)-4-amino-5-oxopentanoate - + - - - sulfamate + + + (S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid - + - - - - - HETE anion + + + (S)-3-hydroxybutyrate - + - - - - - - oxo-ETE anion + + + (S)-carnitine - + - - - - hydroxy polyunsaturated fatty acid anion + + + 2-hexaprenyl-6-hydroxyphenol - + - - - cholanic acid anion + + + + + + + + + + + + + + + 2-hexaprenyl-6-methoxyphenol - + - - - - 4-pyranones + + + 2-hexaprenylphenol - + - - - - 3-pyrones + + + maltose 6'-phosphate - + - - - dicarboxylic acids and O-substituted derivatives + + + cis-2-hydroxypenta-2,4-dienoic acid - + - - - hydrogen acceptor + + + validamine 7-phosphate(1-) - + - - - - 1,4-benzoquinones + + + validoxylamine A 7'-phosphate(1-) - + - - - - hydroxyquinone + + + + validoxylamine A(1+) - + - - - - 1,4-naphthoquinones + + + + + alpha-L-colitosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine - + - - - - hyaluronate + + + + + + + + + + (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate - + - - - - hydroxynaphthoquinone + + + 2,3-dichloromuconic acid - + - - - - hydroxy-1,4-naphthoquinone + + + + 1,2-didecanoylglycerol - + - - - pentahydroxyanthraquinone + + + + + + + + + + + valienone - + - - - 1-phenylpropan-2-amine + + + valienone 7-phosphate(2-) - + - - - methamphetamine(1+) + + + validone 7-phosphate(2-) - + - - - citrate(4-) + + + + + + + + + + + validone - + - - - EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor + + + + + + + + + 2'-hydroxyrifampicin - + - - - - anilide + + + + + + + + + 1,4-dihydroxy-2-naphthoate - + - - - fatty acid 18:3 + + + + + + + + + + + N-demethylindolmycin - + - - - fatty acid 20:4 + + + + + + + + + (R)-3-(indol-3-yl)-2-oxobutyric acid - + - - - bleaching agent + + + + 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium - + - - - lysophosphatidic acid + + + 1-acylglycerophosphocholine(1+) - + - - - + + + - + - triethanolammonium + 2-amino-3-hydroxy-4-methylbenzoyl-AMP - + - - - 2-isopropylmalate + + + 10-desacetyltaxuyunnanin C - + - - - 2-hydroxyglutarate + + + 10-hydroxycaprate - + - - - quinolinate + + + + 13-hydroxydocosanoate - + - - - - aspartate + + + + + 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid - + - - - octadec-9-enoate + + + 1L-myo-inositol 1,2,3,4,6-pentakisphosphate - + - - - - tartrate + + + 2'-(5-triphosphoribosyl)-3'-dephospho-CoA - + - - - maleate + + + 2,3,4,5-tetrahydrodipicolinate(2-) - + - - - oxalate + + + + (2R,3S,4S)-leucocyanidin - + - - - bradykinin(2+) + + + 2,3-dihydrodipicolinate(2-) - + - - - O-acetylhomoserine zwitterion + + + 2,3-dihydroxy-3-methylbutanoate - + - - - radiosensitizing agent + + + 2,4-dichloro-cis,cis-muconate(2-) - + - - - bisbenzylisoquinoline alkaloid + + + 2,5-didehydro-D-gluconate - + - - - oxytetracycline zwitterion + + + + + + + + + + + + + + + + 2-hydroxybutyric acid - + - - - - spiro-epoxide + + + (2S)-2-ammonio-5-{[iminio(methylamino)methyl]amino}pentanoate - + - - - chromenochromene + + + 2-acylglycerophosphocholine - + - - - omega-carboxyacyl-CoA(5-) + + + + + + + 2-amino-5-formylamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate - + - - - saturated dicarboxylic acid dianion(2-) + + + + + + + + + + 2-hydroxyestrone - + - - - - 3-oxo fatty acid anion + + + + + + + + + 2-dehydropantoate - + - - - oxo dicarboxylic acid dianion + + + 2-deoxy-alpha-D-ribose 1-phosphate - + - - + + - + - hydantoin-5-propionate + isethionic acid - + - + + + 2-hydroxyethylphosphonic acid + + + + + + + + + + + + + + + 2-coumarate + + + + + + + + - polyunsaturated dicarboxylic acid(2-) + 2-hydroxyglutarate(2-) - + - - + + + + 2-methylbut-2-enoyl-coenzyme A + + + + + + + + + + + + + + - L-lysine zwitterion + oleamide - + - - - 5-hydroxylysinium + + + 2-oxopent-4-enoate - + - - - glyphosate(1-) + + + 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid - + - - - citrate anion + + + 3,3',5'-triiodo-L-thyronine - + - - - pimelate + + + + nipecotic acid - + - - - dimethylargininium(1+) + + + + + + + + + + 2-hydroxypropylphosphonic acid - + - - - - - linolenate + + + 3-sn-phosphatidyl-L-serine - + - - + + + (2S)-2-isopropylmalate(2-) + + + + + + + + + 3-deoxy-D-manno-octulosonic acid + + + + + + + + - + - NAD + 3-hydroxyisobutyrate - + - - - NAD(P)(+) + + + 5-hydroxy-6-methylpyridine-3,4-dicarboxylate - + - - - - - - + + + + 3-hydroxy-3-methyl-2-oxobutanoate + + + + + + + + + - + + 3-hydroxy-3-methylglutaryl-CoA + + + + + + + + + maleylacetic acid + + + + + + + + + + - + - + - ochratoxin alpha + 3-methyl-2-oxobutanoate - + - - - NAD(P)H + + + 3-oxo-5beta-cholanate - + - - + + + + + + - + - polychlorinated dibenzodioxines and related compounds - - - - - - - - - volatile organic compound + + + + + + + 2-methoxyestrone - + - - - methylcytosine + + + + + + + + + N-carbamoyl-beta-alaninate - + - - - alkanesulfonate oxoanion + + + + 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate - + - - - - guaiacols + + + D-synephrine - + - - - - - - - - - - - lipid A (E. coli) + + + 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate - + - - - lipid A(4-) (E. coli) + + + 3beta-hydroxy-5alpha-pregnan-20-one - + - - - - - - - - - - - - - - - - - - 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one + + + 4-(beta-D-glucosyloxy)benzoate - + - - - ergothioneine(1+) + + + 4-(hydroxymethyl)benzenesulfonate - + - - - - allylic alcohol + + + 4-(trimethylammonio)but-2-enoate - + - - - - primary allylic alcohol + + + + + + + + + 4-acetamidobutanoate - + - - - - tertiary allylic alcohol + + + + 4-amino-3-hydroxybutanoate - + - - - D-proline betaine + + + 4-carboxymethylenebut-2-en-4-olide - + - - - - 3-oxo fatty acid + + + + + 4-fluoro-L-threonine - + - - - polyunsaturated dicarboxylic acid + + + 4-formylbenzenesulfonate - + - - - UDP-D-galacturonic acid + + + 4-oxohex-2-enedioate - + - - - UDP-alpha-D-glucosamine + + + + 5'-deoxy-5'-fluoroadenosine - + - - + + + - - - - - - - acyl-carrier protein + 5,10-methylenetetrahydrofolate(2-) - + - - - 4-hydroxy carboxylic acid + + + 5-aminolevulinate - + - - - 6,7-dihydropteridines + + + 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-) - + - + - - - - - - - jasmonic acid anion + + + 5-oxohexanoate - + - - - N-hydroxyimidothioate + + + + 5-phosphoribosyl diphosphate - + - - - glycol + + + + + + + + + 6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol - + - - - D-thioglucoside + + + 6-O-(N-acetyl-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol - + - - - beta-D-thioglucoside + + + + + + + + + (-)-usnic acid - + - - - - desulfoglucosinolic acid + + + 8-amino-7-oxononanoate - + - - - homocysteine derivative + + + + + + + + + sophorose - + - - - 4-hydroxy monocarboxylic acid anion + + + + + + + + + 3-(all-trans-octaprenyl)benzene-1,2-diol - + - - - aci-nitro compound + + + alpha-cyclopiazonic acids - + - - - - - - - ximelagatran (hydroxylamine form) + + + + + + + + + 2-methoxy-6-(all-trans-octaprenyl)phenol - + - - - 3-oxo-Delta(4)-steroid group + + + beta-D-fructofuranose 2-phosphate - + - - - pro-agent + + + + + + + + + + beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl group - + - - - antidote to sarin poisoning + + + beta-L-fucose 1-phosphate - + - - - 5beta steroid + + + + + + + + + + + + + + + + + + + + + N,N'-diacetylchitobiosyldiphosphodolichol - + - - - short chain fatty acyl-CoA(4-) + + + + N,N-dihydroxy-L-tyrosine - + - - + + + + - + - acetoacetate - - - - - - - - - 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate + + + + + + + N-acetyldopamine - + - - - acetylsalicylate + + + + 2-polyprenylphenol - + - - - - secondary ammonium ion + + + + 17-(4-hydroxyphenyl)heptadecanoic acid - + - - - metalloid atom + + + + 19-(4-hydroxyphenyl)nonadecanoic acid - + - - - tertiary ammonium ion + + + indol-3-ylacetyl-CoA - + - - - (beta-Asp-Arg)n zwitterion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + vitamin A - + - - - - - 3-(1-methylpyrrolidin-2-yl)pyridine + + + + + + + + + + + + + + + + + + + + + + + phosphonoformic acid - + - - - endocrine disruptor + + + + + 17-(4-hydroxyphenyl)heptadecanoyl-AMP - + - - - 14alpha-methyl steroid + + + + + + + + + (S)-(-)-alpha-terpineol - + - - - long chain primary alcohol + + + + + 19-(4-hydroxyphenyl)nonadecanoyl-AMP - + - - - inorganic acid + + + n-alkanal - + - - - Delta(7)-sterol + + + valienol 1-phosphate - + - - - - 17alpha-hydroxy-C21-steroid + + + trans-2-coumarate - + - - - carotenoid biosynthesis inhibitor + + + + + + + + + + + + + + + (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate(3-) - + - - - pyrimidine ribonucleoside 5'-monophosphate(2-) + + + + + + + + + + GDP-valienol - + - - - - - bile acids + + + + + + + + + trans-4-coumarate - + - - + + - + - apoprotein + + + + + + + + + + + + + + + + + + + isopentenyl diphosphate(3-) - + - - - dialkyl phosphate(1-) + + + + 12,18-dihydroxyoctadecanoic acid - + - - - (+)-jasmonic acid anion + + + (R)-4'-phosphopantothenate(1-) - + - - - gas molecular entity + + + + + + + + + (-)-beta-phellandrene - + - - - - hemisuccinate + + + + + (9Z,12R)-12,18-dihydroxyoctadecenoic acid - + - - - carotenoid psi-end group + + + + + + + + + D-galactonate - + - - - carotenoid epsilon-end group + + + + + + + + + + + + + + + + D-galactose - + - - - carotenoid beta-end group + + + + + + + + + D-galactose 6-phosphate - + - - - secoiridoid + + + + + + + + + + + + + + + + + + + + (20R,22R)-20,22-dihydroxycholesterol - + - - - secondary nitroalkane + + + + + + + + + aldehydo-D-galacturonate - + - - - chlorophyll(1-) + + + + + + + + + D-glucosamine 6-phosphate - + - - - - chlorophyllide(2-) + + + + + + + + 5,20-diHEPE - + - - - - - - - - - - (+)-jasmonic acid + + + keto-D-sorbose - + - - - - 1,3-dihydroimidazole-2-thiones + + + 3-amino-L-alaninate - + - - - carbamate + + + L-aspartate 4-semialdehyde - + - - - sensitiser + + + + + + + + + + + + + + + L-gulonate - + - - - - ceramide 1-phosphate + + + + (Z)-1,2-ethenediol - + - - - monounsaturated fatty acyl-CoA + + + + 3-hydroxy-3-butenoic acid - + - - - - alpha-hydroxy ketone + + + hexopyranosyl hexopyranoside - + - - - retinoid anion + + + + + + + + + + + + + + + + + carcinine - + - - - - primary alpha-hydroxy ketone + + + + N-acetyl-L-phosphinothricin - + - - - - tertiary alpha-hydroxy ketone + + + guanidinoacetate - + - - - - - - - - + + - + - citramalate(2-) + 4-methylpentanoyl-CoA(4-) - + - - - D-hexose phosphate(2-) + + + 2-aminobenzoylacetate - + - - - 5-hydroxyanthocyanidin + + + 2-aminobenzoylacetyl-CoA(4-) - + - - - deoxyribonucleotide residue(1-) + + + beta-D-Man-(1->2)-beta-D-Man-(1->2)-D-Man - + - - - - phenyl acetates + + + 2,6-dihydroxybenzoate - + - - - primary carboxamide + + + 1,2-diacyl-3-(alpha-D-6-sulfoquinovosyl)-sn-glycerol(1-) - + - - - secondary carboxamide + + + + + + + + + dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose - + - - - tertiary carboxamide + + + pyridoxal(1+) - + - - - - hydroxy polyunsaturated fatty acid + + + pyridoxamine(2+) - + - - - UDP-monosaccharide(2-) + + + hyaluronic acid synthesis inhibitor - + - - - - - specialised pro-resolving mediator + + + (5S,15S)-5-hydroperoxy-15-HETE - + - - - fatty acid 4:0 + + + + + + (5S,15S)-5-hydroperoxy-15-HETE(1-) - + - - - deamido-NAD zwitterion + + + + steroid aldehyde - + - - - - - - - - + + + + + - + - 3-(3-hydroxyphenyl)propanoic acid + 3'-L-prolyl-AMP - + - - - + + - + - D-glucose 6-phosphate + pApA - + - - + + + - + - glutamate(1-) + 8,12-diethyl-3-vinylbacteriochlorophyllide d - + - - + + + - + + 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d + + + + + + + + + - + - glycerol 1-phosphate + 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d - + - - + + + - + - 3-(methylthio)propionic acid + 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid 9-phosphate - + - - - pantoic acid + + + C18-steroid - + - - - electron donor + + + + + + + + + 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid - + - - - + + - + - retinal + CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid - + - - - - retinoate + + + + + + + + + CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid - + - - - + + - + - selenate + sucrose 6(G)-phosphate - + - - - sulfide(2-) + + + Mycoplasma genitalium metabolite - + - - - - tartrate(2-) + + + dicarboxylic acid monoester(1-) - + - - - - thymidine 5'-monophosphate + + + O-(beta-L-arabinofuranosyl)-trans-4-hydroxy-L-proline residue - + - - - + + + + + + - + - xanthine + 18-oxoresolvin E1 - + - - - - - - - - - zeatin + + + C27-steroid - + - - - acceptor + + + C24-steroid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - acetaldehyde + + + C19-steroid - + - - - - - - - - - - acetoacetic acid + + + steroidal acyl-CoA(4-) - + - - - - - - - - - - - - - - - - - - - - - coenzyme A + + + lanostane derivative - + - - - - - - - - - - - - - - - - - - - - - - - - acetone + + + pregnane derivative - + - - - - - - - - - - - - - - - - - - - - - - - - - - - acetyl-CoA + + + GDP-4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - blasticidin S + + + GDP-(2S,3S,6R)-3-hydroxy-5-imino-6-methyloxane(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - choline + + + + androstane sulfate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - acetylcholine + + + phosphinomethylisomalate(3-) - + - - - - - - - - - - - - - - - - cysteine + + + 2-(phosphinatomethylidene)succinate(3-) - + - - - histone + + + cholestanoyl-CoA(4-) - + - - - - - - - - - pyruvate + + + cholane derivative - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - acetylsalicylic acid + + + Sec-tRNA(Sec) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - acetic acid + + + + pregnane sterol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - all-trans-retinoic acid + + + EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor - + - - - actinomycin + + + poly(ethylene terephthalate)(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 5,6,7,8-tetrahydrobiopterin + + + stigmastane derivative - + - - - - - - - - - - - - - - - biopterin + + + + stigmastane sterol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - water + + + 4-[(2-hydroxyethoxy)carbonyl]benzoate - + - - - - - - hydron + + + 2'-deoxynucleoside 3'-monophosphate(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - dioxygen + + + (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid zwitterion - + - - - - - - - - - - - - - - - - - - - - - succinyl-CoA + + + (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid zwitterion - + - - - - - - - - - - limonene + + + N(omega)-(1-hydroxy-2-oxopropyl)-L-arginine residue(1+) - + - - - (R)-camphor + + + + N(6)-(1-hydroxy-2-oxopropyl)-L-lysine residue(1+) - + - - - (S)-camphor + + + S-(1-hydroxy-2-oxopropyl)-L-cysteine residue - + - - - - - - - - - - - - - - - - - - - - - (-)-menthol + + + (S)-demethyl-4-deoxygadusol(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + - + - S-adenosyl-L-methionine + 2-epi-valiolone - + - - - ent-kaurene + + + S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione(1-) - + - - - - - - - - - - - - - - - - - - - - - - ATP + + + keto-L-sorbose - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - glycine + + + + (3R)-3,4-epoxy-3-methylbut-1-ene - + - - - - - - - - - - - - - - - protoporphyrinogen + + + coproporphyrin III(4-) - + - - + + + + hydroxylipid + + + + + + + + + + [Glu(-Cys)]n-Gly(1-) + + + + + + + + + L-tagatose 6-phosphate + + + + + + + + + 4-[(2-hydroxyethoxy)carbonyl]benzoic acid + + + + + + + + + + androstane ester + + + + + + + + + - + + lysophosphatidylcholine (18:1/0:0) + + + + + + + + + - + - uroporphyrinogen III + lysophosphatidylethanolamine (0:0/18:2) - + - - - inulin + + + + lanostane ester - + - - - (1->4)-alpha-D-glucan + + + + ergostane ester - + - - + + + - + - (R)-methylmalonyl-CoA + CMP-5'-phosphonoformic acid - + - - - - alk-2-enoyl-CoA + + + (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate(4-) - + - - - - 2-methylbutanoyl-CoA + + + D-erythrulose 1-phosphate(2-) - + - - - - - - - - - - - - 3-methylbut-2-enoyl-CoA + + + 2-hydroxyisobutanoyl-CoA(4-) - + - - - - - - - - - isovaleryl-CoA + + + indolmycenate - + - - - 3-hydroxymonocarboxylic acid + + + S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2-) - + - - - - - - - - - benzoyl-CoA + + + S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1-) - + - - - - - - - - - - - - - - - butyryl-CoA + + + L-allysine residue - + - - - - - - - - - - - - - - + + + sulfamate + + + + + + + + + + methylated primary amine(1+) + + + + + + + + + + @@ -3677,757 +3633,363 @@ - + - malonyl-CoA - - - - - - - - - + - + - + - propionyl-CoA + 2-methylpropane-1,2-diol - + - - + + + + - + - prostaglandin I2 + 2-hydroxy-2-methylpropanal - + - - - - - - - - - - - - - - - - - - - - - - D-alanine + + + 2,4-didehydro-3-deoxy-L-rhamnonate - + - - - - - - - - - - - - - - - - - - - - - - (2-aminoethyl)phosphonic acid + + + D-erythritol 1-phosphate(2-) - + - - - - - - - - - - - - - - - - - - - - - - citramalic acid + + + 3,5-dimethylorsellinate - + - - - - - - - - - - malate(2-) + + + 3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-leucine + + + + + HETE anion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - sarcosine + + + + + + oxo-ETE anion - + - - - - - - - - - - - - - - - - S-adenosylmethioninamine + + + octadecanoid anion - + - - - - - - - - - - thromboxane A2 + + + + HODE(1-) - + - - - - - - - - - 5(S)-HPETE + + + HPODE(1-) - + - - - - - - - - - - - - - - - dihydrofolic acid + + + + docosanoid - + - - - - - - - - - - - - - - - 10-formyltetrahydrofolic acid + + + docosanoid anion - + - - - - - - - - - - - - - - - 5-formyltetrahydrofolic acid + + + EET(1-) - + - - - - - - - - - - - - - - - - - - leukotriene B4 + + + + hydroxydocosahexaenoate - + - - - - - - - - - - - - - leukotriene A4 + + + HPDHE(1-) - + - - - - - - - - - - - - - - - - - - - - - - 5'-xanthylic acid + + + + hydroxy monounsaturated fatty acid - + - - - - - - - - - - - - - - - 2,3-dihydroxybutanedioic acid + + + + hydroxy monounsaturated fatty acid anion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - allantoin + + + + hydroxy polyunsaturated fatty acid anion - + - - - - - - - - - alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide + + + + hydroxy saturated fatty acid anion - + - - - - - - - - - - - - - - - - - (N(omega)-L-arginino)succinic acid + + + EpETE(1-) - + - - - L-2-succinylamino-6-oxoheptanedioate(3-) + + + + HEPE(1-) - + - - - - - - - - - - acetoin + + + + hydroperoxyicosatrienoate - + - - - aldose + + + + hydroperoxyicosapentaenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - 2'-deoxycytidine + + + + dihydroxyicosatetraenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - L-homoserine + + + cholanic acid anion - + - - - - - - - - - L-alpha-amino acid + + + cholanic acid conjugate anion - + - - - - - - - - - - - - - - - - - - - - - - - - - - + + - + - betaine aldehyde + 11-HEPE - + - - - - - - - - - - - - - - - - UTP + + + N-arachidonoylethanolamine phosphate(2-) - + - - - - - - - - - - - - - - - trans-sinapic acid + + + + 4-pyranones - + - - - - - - - - - - - - - - - - - - - - - trimethylenediamine + + + + 3-pyrones - + - - + + + O-[S-(3-hydroxy-4-methylanthraniloyl)pantetheine-4'-phosphoryl]serine(1-) residue + + + + + + + + + O-[S-(3,5-dihydroxy-4-methylanthraniloyl)pantetheine-4'-phosphoryl]serine(1-) residue + + + + + + + + + + + - + @@ -4439,2073 +4001,1761 @@ - - - - - - - + - + - + - carnosine + violacein - + - - - + + + + - + - + - + - L-ornithine + deoxyviolacein - + - - - - - - - - - + + + - + - phosphonoacetic acid + proviolacein - + - - - primary alcohol + + + nocardicin G zwitterion - + - - - + + + isonocardicin C dizwitterion + + + + + + + + + ethylenediaminetriacetate(2-) + + + + + + + + + ethylenediaminediacetate(1-) + + + + + + + + + dicarboxylic acids and O-substituted derivatives + + + + + + + + - + - staurosporine + N-hydroxy-2-methylpropanamine - + - - - - isopropylamine + + + (E)-3-(indol-3-yl)acrylate(1-) - + - + + + hydrogen acceptor + + + + + + + + + + validamine 7-phosphate + + + + + + + - - - - - - - - - - - - - formate + glycosmisate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - succinic acid + + + (-)-DCA-CL(1-) - + - - - - - - - - - - - - - - - - - - - - - - spermine + + + (-)-DCA-CC(2-) - + - - - - - - - - - D-glucuronate + + + (+)-DCA-CC(2-) - + - - - - - - - - - - - - - - - dolichyl diphosphate + + + (+)-DCA-CL(1-) - + - - - - - - - - - - - - - - - 2-oxoadipic acid + + + ent-glycosmisate - + - - - - - - - - - - - - - - - - - - - - - + + + + - + - hexadecanoic acid + validoxylamine A 7'-phosphate - + - - - - - - - - - - + + + - + - + - + - + - tyramine + validoxylamine A - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + (5E)-tetradecenoyl-CoA(4-) + + + + + + + + + + (2E,5E)-tetradecadienoyl-CoA(4-) + + + + + + + + + nocardicin C dizwitterion + + + + + + + + + + + validone 7-phosphate + + + + + + + + + - + - L-dopa + 2-aminobenzoylacetic acid - + - - - + + + + 4-methylpentanoyl-CoA + + + + + + + + - + + 2-aminobenzoylacetyl-CoA + + + + + + + + + GDP-4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose + + + + + + + + + + - + + (5E)-tetradecenoyl-CoA + + + + + + + + - + - dichloromethane + (5E)-tetradecenoyl-L-carnitine - + - - - 3-oxoadipate(2-) + + + + + (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate - + - - + + + - + - cephalosporin C + phosphinomethylisomalic acid - + - - - - N-acyl-D-amino acid + + + + (3E)-octenoyl-CoA(4-) - + - - - - N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine + + + + 2-(phosphinomethylidene)succinic acid - + - - - - - - - - - - - - - - - malonate(2-) + + + (14S,15R)-EET(1-) - + - - - - - - - - - - - - - - - - - - - D-octopine + + + (14R,15S)-EET(1-) - + - - - - - - - - - - - - - - - - D-arginine + + + + (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - GDP-alpha-D-mannose + + + + + (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid - + - - - - - - - - - D-fructose + + + (11S,12R)-EET(1-) - + - - - geranylgeranyl diphosphate + + + ribonucleoside 3'-monophosphate(2-) - + - - - - polypeptide + + + (11R,12S)-EET(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - arachidonic acid + + + (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate - + - - - - - - - - - - - - - - - - NAD(+) + + + (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - luteolin + + + (8S,9R)-EET(1-) - + - - - - CDP-N-methylethanolamine + + + (8R,9S)-EET(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - phenol + + + (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate - + - - - - - - - - - tropine + + + 5,10-dihydrophenazine-1,6-dicarboxylate - + - - - sterol + + + phenazine-1,6-dicarboxylate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - taurine + + + + (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylate - + - - - - - - - - - - - - - - - beta-D-glucose + + + + 1-docosahexaenoyl-sn-glycero-3-phosphocholine - + - - - long-chain fatty acid + + + + 2-docosahexaenoyl-sn-glycero-3-phosphocholine - + - - - - - - - - - ADP-L-glycero-D-manno-heptose + + + + + (2E,5Z)-octadienoyl-CoA(4-) - + - - - - - - - - - - - - - - - - 2'-deoxycytosine 5'-monophosphate + + + 5,6-EET(1-) - + - - - dolichyl diphosphooligosaccharide + + + cholesteryl octadecenoate - + - - - - - - - - - - - - - - - - - - - - - - N-ribosylnicotinamide + + + cholesteryl octadecadienoate - + - - - - - - - - - - - - - - - - - - - - - - atrazine + + + + (10aS)-10,10a-dihydrophenazine-1-carboxylate - + - - - UDP-D-apiose + + + cholesteryl octadecatrienoate - + - - - - - - - - - - - - - - - aldehydo-D-xylose + + + + (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - nicotinic acid + + + cholesteryl icosatetraenoate - + - - - 2-aminobenzenesulfonate + + + cholesteryl icosapentaenoate - + - - - + + - + - poly(glycerol phosphate) macromolecule + 5,10-dihydrophenazine - + - - - keto-D-fructose 6-phosphate + + + S-butyryl-4'-phosphopantetheine(2-) - + - - - - - - - - - - - - - - - - - - - - - lycopene + + + S-hexanoyl-4'-phosphopantetheine(2-) - + - - - diphthamide + + + S-octanoyl-4'-phosphopantetheine(2-) - + - - - - discadenine + + + S-decanoyl-4'-phosphopantetheine(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - biotin + + + S-dodecanoyl-4'-phosphopantetheine(2-) - + - - - - - - - - - - - - - - - phosphatidyl-N-methylethanolamine + + + 17-HETE(1-) - + - - - - - - - - - O-phospho-L-homoserine + + + S-tetradecanoyl-4'-phosphopantetheine(2-) - + - - - - - - - - - - - - - - - - - - - - - ribitol + + + S-hexadecanoyl-4'-phosphopantetheine(2-) - + - - - - - - - - - - - - - - - cyclohexylsulfamic acid + + + 16-HETE(1-) - + - - - D-hexose phosphate + + + S-choloyl-4'-phosphopantetheine(2-) - + - - - - - - - - - - - - - - - - D-glutamic acid + + + S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-histidine + + + 12-hydroxyjasmonate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - sn-glycerol 3-phosphate + + + S-acyl-4'-phosphopantetheine(2-) - + - - - - - - - - - - polynucleotide + + + + + + 19-HETrE(1-) - + - - - - - - - - - - - - - - - - GTP + + + + + 21-HDoHE(1-) - + - - - - - - - - - - (4-hydroxyphenyl)pyruvic acid + + + + + + 20-HETrE(1-) - + - - - - - - - - - - - - - - - - - - - - - - - ethanolamine + + + + tauroursodeoxycholate - + - - - - - - - - - D-glucaric acid + + + + glycoursodeoxycholate - + - - - - - - - - - (R)-lactate + + + + 13-hydroxytetradecanoate - + - - - - - - - - - - - - - - - methanethiol + + + fatty acid-taurine conjugate(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-glutamic acid + + + N-dodecanoyltaurine(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - dihydroxyacetone + + + N-tetradecanoyltaurine(1-) - + - - - - prenol + + + + Deoxymethylsphingoid base - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - adenosine 5'-monophosphate + + + N-hexadecanoyltaurine(1-) - + - - - acyldolichol + + + + Deoxysphingoid base - + - - - - - - - - - - - - - - - - - - - - - - - - - - - 2-nitropropane + + + N-stearoyltaurine(1-) - + - - - phosphatidylethanolamine + + + N-icosanoyltaurine(1-) - + - - - - - - - - - - - - - - - - - - - - - - ITP + + + N-tetracosanoyltaurine(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - cytosine + + + + + (S)-demethyl-4-deoxygadusol - + - - - - halide anion + + + N-arachidonoyltaurine(1-) - + - - - poly(ribitol phosphate) + + + + N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1-) - + - - - - - - - - - - - - - - - - propene + + + N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - prenyl diphosphate + + + (12S)-hydroperoxy-(14R,15S)-epoxy-(5Z,8Z,10E)-icosatrienoate - + - - - keto-3-deoxy-D-manno-octulosonate + + + + + + 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoate(1-) - + - - - - - - - - + + + (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate + + + + + + + + + S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione + + + + + + + + + (5S)-hydroperoxy-(14R,15S)-epoxy-(6E,8Z,11Z)-icosatrienoate + + + + + + + + + (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate + + + + + + + + + (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate + + + + + + + + + + + eoxin A4(1-) + + + + + + + + + + N-arachidonoyl-L-alaninate + + + + + + + + + + N-arachidonoyl-gamma-aminobutyrate + + + + + + + + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycinate + + + + + + + + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate + + + + + + + + + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoate + + + + + + + + + N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycinate + + + + + + + + + N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate + + + + + + + + + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutyrate + + + + + + + + + - + + resolvin D1(1-) + + + + + + + + + + + + 8-oxoresolvin D1(1-) + + + + + + + + + + + + 17-oxoresolvin D1(1-) + + + + + + + + + 18(S)-HEPE(1-) + + + + + + + + + O(3)-(beta-D-xylosyl)-L-serine residue + + + + + + + + + + 15(S)-HEPE(1-) + + + + + + + + + O(3)-(beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue + + + + + + + + + long-chain fatty acid ethyl ester + + + + + + + + + O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue + + + + + + + + + (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate + + + + + + + + + O(3)-(beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue + + + + + + + + + O(3)-(N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue + + + + + + + + + O(3)-(N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue + + + + + + + + + UDP-N-acetyl-alpha-D-galactosamine 4-sulfate(3-) + + + + + + + + + UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate(4-) + + + + + + + + + 2-hydroxyisobutanoyl-CoA + + + + + + + + + - + - 11-cis-retinal + indolmycenic acid - + - - + + + S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione + + + + + + + + + + - + - D-glucopyranose 1-phosphate + resolvin - + - - - - gamma-amino-beta-hydroxybutyric acid + + + S-(2-methyl-1-oxobut-3-en-2-yl)glutathione - + - - + + + + 1,2-benzoquinones + + + + + + + + + + 1,4-benzoquinones + + + + + + + + + - + - UDP-alpha-D-xylose + 2,4-didehydro-3-deoxy-L-rhamnonic acid - + - - + + + hepoxilin A3(1-) + + + + + + + + + + + + + + - + - UDP-alpha-D-galacturonic acid + 3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid - + - - + + + (8S)-hepoxilin A3(1-) + + + + + + + + + + hydroxyquinone + + + + + + + + + - + + 3,5-dimethylorsellinic acid + + + + + + + + + + + (R)-demethyl-4-deoxygadusol + + + + + + + + + (R)-demethyl-4-deoxygadusol(1-) + + + + + + + + + + 1,4-naphthoquinones + + + + + + + + + prostaglandin D3(1-) + + + + + + + + + + beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc(1-) + + + + + + + + + + hyaluronate + + + + + + + + + + N-acetyl-beta-D-glucosaminyl-(1->4)-[hyaluronate] + + + + + + + + + + hydroxynaphthoquinone + + + + + + + + + + hydroxy-1,4-naphthoquinone + + + + + + + + + beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) + + + + + + + + + + 2-hydroxy-3-methyl-2-butenoic acid + + + + + + + + + (3S)-hydroxyadipyl-CoA(5-) + + + + + + + + + + + methionine sulfone + + + + + + + + + pentahydroxyanthraquinone + + + + + + + + + + 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-) + + + + + + + + + 11(S)-hydroxy-14(S),15(S)-hepoxilin A3(1-) + + + + + + + + + (2R)-CDP-glycerol + + + + + + + + + N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) + + + + + + + + + 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(3-) + + + + + + + + + 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate + + + + + + + + + + + + 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate + + + + + + + + + + 4-O-({poly[(2R)-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate polyanion + + + + + + + + + + - + - isocitrate(3-) + (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid - + - - - + + + + + - + - + - dolichol + ethylenediaminetriacetic acid - + - - - - - - - - - - - thiosulfate(2-) + + + 1-phenylpropan-2-amine - + - - - + + + + + - + - palmatine + + + + + + + ethylenediaminediacetic acid - + - - - ethylbenzene + + + + (E)-3-(indol-3-yl)acrylic acid - + - - - + + @@ -6515,451 +5765,707 @@ - + + (2R,3S)-glycosmisic acid + + + + + + + + + - + - + - 3-(2-hydroxyphenyl)propanoic acid + all-trans-3,4-didehydroretinol - + - - - - - - - - - + + + + + + - + + (-)-DCA-CL + + + + + + + + + N(4)-(N-acetyl-beta-D-glucosyl)-L-asparagine residue + + + + + + + + + + + + - + + (-)-DCA-CC + + + + + + + + + + + + - + - dihydroxyacetone phosphate + (+)-DCA-CC - + - - + + + + + + - + + (+)-DCA-CL + + + + + + + + - + - propane-1,3-diol + 12,18-didecarboxysirohaem - + - - + + + - + - + - 1,2-diacyl-sn-glycero-3-phosphocholine(1+) - - - - - - - - - - - - + - + - + - + - cholesterol + + + + + + + N-arachidonoylserotonin - + - - - - + + + + + - + + N-arachidonoyl-2-oxoserotonin + + + + + + + + + + (2S,3R)-glycosmisic acid + + + + + + + + + - + - shikimic acid + (2E,5E)-tetradecadienoyl-CoA - + - - - - - + + + - + - + + all-trans-4-hydroxyretinol + + + + + + + + + - + + (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid + + + + + + + + + - + - DDT + (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid - + - - + + + - + - 2-deoxy-D-ribose 5-phosphate + (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid - + - - - cyclopentanol + + + + 5,10-dihydrophenazine-1,6-dicarboxylic acid - + - - - - - - - - - - - - - - - - - - - - - - + + + - + + (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid + + + + + + + + + + (10aS)-10,10a-dihydrophenazine-1-carboxylic acid + + + + + + + + + + (3E)-octenoyl-CoA + + + + + + + + + + (2E,5Z)-octadienoyl-CoA + + + + + + + + + (14S,15R)-EET + + + + + + + + + (14R,15S)-EET + + + + + + + + - + + (11S,12R)-EET + + + + + + + + - + - ammonia + (11R,12S)-EET - + - - - - - + + + + 1-O-[(9S,10R)-epoxystearoyl]-sn-glycero-3-phosphocholine + + + + + + + + + + 1-O-[(9R,10S)-epoxystearoyl]-sn-glycero-3-phosphocholine + + + + + + + + + + 1-O-(8-hydroxyoleoyl)-sn-glycero-3-phosphocholine + + + + + + + + + + 1-O-(11-hydroxyoleoyl)-sn-glycero-3-phosphocholine + + + + + + + + + methamphetamine(1+) + + + + + + + + - + - + + (8S,9R)-EET + + + + + + + + - + - + - + - + - hydrogen sulfide + (8R,9S)-EET - + - - + + + + (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid + + + + + + + + - chondroitin D-glucuronate + S-butyryl-4'-phosphopantetheine - + - - + + + + S-acyl-4'-phosphopantetheine + + + + + + + + - + + S-hexanoyl-4'-phosphopantetheine + + + + + + + + - + - heptadecane + S-octanoyl-4'-phosphopantetheine - + - - + + - + + S-decanoyl-4'-phosphopantetheine + + + + + + + + - + - benzoate + S-dodecanoyl-4'-phosphopantetheine - + - - + + - 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate + S-tetradecanoyl-4'-phosphopantetheine - + - - - + + - + + S-hexadecanoyl-4'-phosphopantetheine + + + + + + + + - + - O-succinyl-L-homoserine + S-choloyl-4'-phosphopantetheine - + - - - o-orsellinate + + + + + + + + + S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine - + - - + + + - + + 19-HETrE + + + + + + + + + - + - homogentisate + 20-HETrE - + - - - + + + @@ -6969,459 +6475,611 @@ - + - - - - - - - dADP + 21-HDoHE - + - - - - - - - - - - D-ornithine + + + + 4-O-({poly[(2R)-2-glucosyl-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate polyanion - + - - - - retinyl ester + + + + + + + 1alpha-hydroxytestosterone - + - - - - - - - - - - - - - - - - - - - - - - - - methane + + + O-(S-[2S,4S,6S]-2,4,6-trimethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue - + - - - - - - - - - - octan-1-ol + + + citrate(4-) - + - - - - - - - - - - - - - - - - - - sulfate + + + EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor - + - - - - - - - - - - + + + beta-D-glucuronoside(1-) + + + + + + + + + glucuronate acceptor + + + + + + + + + O(3)-(poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue + + + + + + + + + O(3)-(N-acetyl-alpha-D-glucosaminyl-poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue + + + + + + + + - + - 2'-deoxyguanosine 5'-monophosphate + wax ester 36:1 - + - - + + + - + - + + 13-hydroxytetradecanoic acid + + + + + + + + + + fatty acid-taurine conjugate + + + + + + + + - - - - - - - - - - - - - - - - - - - - - - - - - oleic acid + N-dodecanoyltaurine - + - - + + - N-acylsphingosine 1-phosphate + N-tetradecanoyltaurine - + - - - - - - - - - - - - - - - + + - - - - - - - - - - - - - - - - - - - - - - - - - urea + N-hexadecanoyltaurine - + - - + + - - - - - - - dolichyl phosphate + N-stearoyltaurine - + - - - - phosphonate(2-) + + + + anilide - + - - - - + + - + - coniferin + N-icosanoyltaurine - + - - - - - - - - - - sn-glycerol 1-phosphate + + + fatty acid 16:2 - + - - - - - - - - - - - - pyridine + + + fatty acid 16:3 - + - - - - N(6)-acyl-L-lysine + + + fatty acid 18:3 - + - - + + + fatty acid 18:4 + + + + + + + + - hydroxide + N-tetracosanoyltaurine - + - - - - + + - - - - - - - - - - - - - - - - - - - - - - - - - guanine + N-arachidonoyltaurine - + - - - - + + - + + N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine + + + + + + + + - + + N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine + + + + + + + + + alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) + + + + + + + + + oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate(2-) + + + + + + + + + N(4)-(oligosaccharide-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl)-L-asparagine residue + + + + + + + + + N(4)-(alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc)-L-asparaginyl residue + + + + + + + + + + fatty acid 20:1 + + + + + + + + + fatty acid 20:4 + + + + + + + + + + fatty acid 20:5 + + + + + + + + + fatty acid 22:1 + + + + + + + + + fatty acid 22:5 + + + + + + + + + + fatty acid 22:6 + + + + + + + + + oligomer + + + + + + + + + O-(S-[2R,4R,6R,8R]-2,4,6,8-tetramethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue + + + + + + + + + O-(S-[2R,4R,6R]-2,4,6-trimethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue + + + + + + + + + + + phthalic acid monoester + + + + + + + + - + - + - + + nodakenetin + + + + + + + + - + - + + (12S)-hydroperoxy-(14R,15S)-epoxy-(5Z,8Z,10E)-icosatrienoic acid + + + + + + + + + + + + - + + 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid + + + + + + + + @@ -7431,36 +7089,18 @@ - - - - - - - - - - - - - + - ethanol + (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid - + - - - - - - - - + + @@ -7470,269 +7110,420 @@ - - - - - - - + - FAD + (5S)-hydroperoxy-(14R,15S)-epoxy-(6E,8Z,11Z)-icosatrienoic acid - + - - - + + + - + + N-arachidonoyl-L-alanine + + + + + + + + + bleaching agent + + + + + + + + + - + + N-arachidonoyl-gamma-aminobutyric acid + + + + + + + + + + - + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycine + + + + + + + + + 11a-hydroxytetracycline zwitterion + + + + + + + + + 6-methylpretetramide(1-) + + + + + + + + + 4-hydroxy-6-methylpretetramide(1-) + + + + + + + + + + - + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine + + + + + + + + + 4-de(dimethylamino)-4-oxoanhydrotetracycline(1-) + + + + + + + + + + - + + N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycine + + + + + + + + + + - + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutanoic acid + + + + + + + + + lysophosphatidic acid + + + + + + + + + + - + + N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alanine + + + + + + + + + + - + + N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-gamma-aminobutyric acid + + + + + + + + + + + + - + - + + (S)-nandinine + + + + + + + + + - + + 2-methylbutan-2-ol + + + + + + + + + - + - + - + - + - hydrogen peroxide + 3-hydroxy-3-methylbut-1-ene - + - - - - - - - - - - - - - - - - - - - - - + + + - + + triethanolammonium + + + + + + + + + + + + + - + - + + 8-oxoresolvin D1 + + + + + + + + + + + + + - + + 17-oxoresolvin D1 + + + + + + + + - + - + - + - quercetin + 18(S)-HEPE - + - - + + - + - + - 4-(trimethylammonio)butanoate + (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid - + - - - - - phospholipid + + + UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate - + - - - - - - - - - - - - - - - - chitosan + + + UDP-N-acetyl-alpha-D-galactosamine 4-sulfate - + - - - - - - - - - - - - - - - UDP-N-acetyl-alpha-D-glucosamine + + + + + beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc - + - - + + @@ -7742,691 +7533,443 @@ - + - succinic semialdehyde + (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid - + - - - 2-exo-hydroxy-1,8-cineole + + + (8S)-hepoxilin A3 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-cystine + + + + + + apigenin 7-O-beta-L-glucoside - + - - - - - - - - - + + + + - + - dATP + (+)-alpha-gurjunene - + - - - - - phytanic acid + + + N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate - + - - - - - - - - - - O-acetyl-L-homoserine + + + beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate - + - - - + + + 4-O-[(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate + + + + + + + + + - + - D-tryptophan + 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid - + - - - - + + + + + + - + - nitrite + 11(S)-hydroxy-14(S),15(S)-hepoxilin A3 - + - - - + + + + + - + - + - + - dCTP + + + + + + + + + + + + + (-)-Tau-muurolol - + - - - + + - + - D-proline + + + + + + + 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid - + - - - - + + + + + - + - + - lithocholic acid + 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid - + - - - - 2-oxosuccinamic acid + + + 2-isopropylmalate - + - - - 2-arylpropionic acid + + + sulfoglycolithocholate anion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - adenosine + + + ethylmalonate - + - - - - - - - - - - hyaluronic acid + + + + ethylmalonate(2-) - + - - - - - - - - - phosphatidic acid + + + 1,3,7-trimethylurate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - 3-sulfino-L-alanine + + + 2-hydroxyglutarate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - (R)-carnitine + + + quinolinate - + - - - 2'-deoxyribonucleoside 5'-diphosphate + + + + aspartate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 3',5'-cyclic GMP + + + octadec-9-enoate - + - - - - - - - - - pyridine-2,5-diol + + + (R)-2-hydroxyglutaryl-CoA(5-) - + - - - - anthocyanidin cation + + + pyridoxate - + - - - - - - - - - menaquinone + + + + tartrate - + - - - - D-cysteine + + + maleate - + - - - - - - - - - vindoline + + + oxalate - + - - - 2'-deoxyribonucleoside 5'-triphosphate + + + suberate - + - - - - - - - - - - iodide + + + sebacate - + - - - - organic sulfide + + + azelaate - + - - - - - - - - - - 4-hydroxymandelic acid + + + N-acetylmethioninate - + - - - - - - - - - - - - - - - - ubiquinones + + + + + + N-acetylmethionine - + - - - - - - - - - - - - - - - sphingosine + + + 3-phosphoglycerate - + - - - - - - - - - - - formamide + + + hippurate - + - - - - - - - - - - D-threonine + + + 5-ammoniolevulinic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - pyridoxamine + + + 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA(4-) - + - - - + + + 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA(4-) + + + + + + + + - + - + - + @@ -8438,527 +7981,433 @@ - + - indole-3-acetic acid + alliin zwitterion - + - - - - - - - - - - lipopolysaccharide + + + bradykinin(2+) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-valine + + + O-acetylhomoserine zwitterion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - androst-4-ene-3,17-dione + + + radiosensitizing agent - + - - - - - - - - - - - - - - - - - - - - - + + + pregnenolone sulfate(1-) + + + + + + + + + bisbenzylisoquinoline alkaloid + + + + + + + + + oxytetracycline zwitterion + + + + + + + + + 5a,11a-dehydrooxytetracycline zwitterion + + + + + + + + + S-octanoyl-L-cysteine residue + + + + + + + + + + + 1-(2-aminophenyl)decane-1,3-dione + + + + + + + + + L-leucyl-L-glutamyl zwitterionic residue + + + + + + + + + L-leucyl-L-aspartyl zwitterionic residue + + + + + + + + + L-leucyl-L-lysyl(2+) group + + + + + + + + + L-leucyl-L-arginyl(2+) group + + + + + + + + + L-methionyl-L-aspartyl zwitterionic residue + + + + + + + + + N-tetradecanoylglycyl group + + + + + + + + + N(alpha)-acetyl-L-methionyl-L-aspartyl(1-) residue + + + + + + + + - phenylacetaldehyde + prostaglandin G1(1-) - + - - - - - - - - - - - - - - - - - - - - - + + + + (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate + + + + + + + + + (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate(1-) + + + + + + + + + + spiro-epoxide + + + + + + + + + prostaglandin E3(1-) + + + + + + + + + prostaglandin G3(1-) + + + + + + + + + prostaglandin H3(1-) + + + + + + + + + chromenochromene + + + + + + + + + + 2-hydroxydecanoic acid + + + + + + + + + + 2-hydroxydecanoate + + + + + + + + + + + - + - + - CDP-choline + tuberonic acid - + - - + + + + - - - - - - - D-tagatose + 2-oxindole-3-acetic acid - + - - - - - - - - - alanine + + + omega-carboxyacyl-CoA(5-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - 2'-deoxyuridine + + + O-[S-(medium-chain acyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - - - - - - - - - - - - - - oxaloacetate(2-) + + + O-[S-(long-chain acyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - - - - - - - pantothenate + + + saturated fatty aldehyde - + - - - - - - - - - - - - - - - S,S-dimethyl-beta-propiothetin + + + 3-hydroxydicarboxylate(2-) - + - - - - polyprenol phosphate + + + saturated dicarboxylic acid dianion(2-) - + - - - - - - - - - - salicyl alcohol + + + + 3-oxo fatty acid anion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-arginine + + + oxo dicarboxylic acid dianion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 17beta-estradiol + + + O-{S-[17-(4-hydroxyphenyl)heptadecanoyl]pantetheine-4'-phosphoryl}serine(1-) residue - + - - - - - - - - - - NADPH + + + O-{S-[19-(4-hydroxyphenyl)nonadecanoyl]pantetheine-4'-phosphoryl}serine(1-) residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - nitric oxide + + + S-anthraniloyl-L-cysteine residue - + - - - - - - - - - - - - - - - - - - - - - + + + 12-dehydro-leukotriene B4(1-) + + + + + + + + + + hydroxy fatty aldehyde + + + + + + + + + 10,11-dihydro-12-oxoleukotriene B4(1-) + + + + + + + + @@ -8971,2365 +8420,1111 @@ - - - - - - - naphthalene + GDP-beta-L-fucose - + - - - - - - - - - 1-deoxy-D-xylulose 5-phosphate + + + metal oxide - + - - - - - - - - - - - lipoic acid + + + 10-HETE(1-) - + - - - - - - - - - - - - - - - - + + + 12-oxo-20-hydroxyleukotriene B4(1-) + + + + + + + + + + - + - + - dGTP + N-carbamoylglycine - + - - - N-acylneuraminic acid + + + L-methionyl-L-asparaginyl(1+) residue - + - - - - - - - - - 3-hydroxypropionate + + + N(alpha)-acetyl-L-methionyl-L-asparaginyl residue - + - - - 2'-deoxyribonucleoside triphosphate + + + L-methionyl-L-glutamyl zwitterionic residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - lanosterol + + + N(alpha)-acetyl-L-methionyl-L-glutamyl(1-) residue - + - - - - - - - - - trans-zeatin + + + L-methionyl-L-glutaminyl(1+) residue - + - - - - - - - - - - - - - - - - - - - - - - D-serine + + + N-acetyl-L-methionyl-L-glutaminyl residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - carbon dioxide + + + + + + resolvin D2(1-) - + - - - D-galactonic acid + + + N-acetylglycyl residue - + - - - - - - - - - - orcinol + + + prostaglandin A2(1-) - + - - - - - - - - - - galactarate(2-) + + + N-acetyl-L-valyl residue - + - - - - - - - - - protein polypeptide chain + + + N-acetyl-L-cysteinyl residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - alpha,alpha-trehalose + + + 13,14-dihydro-15-keto-PGF2alpha(1-) - + - - - - - - - - - CMP-N-acetyl-beta-neuraminic acid + + + N-acetyl-L-threonyl residue - + - - - - - - - - - - - - - - - - - - - - - sphinganine + + + L-methionyl-L-leucyl(1+) residue - + - - - - - - - - - - - - - - - - - - - - - anthranilate + + + N-acetyl-L-methionyl-L-leucyl residue - + - - - - - - - - - - - - - - - butane-2,3-dione + + + N-acetyl-L-methionyl-L-isoleucyl residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + L-methionyl-L-isoleucyl(1+) residue + + + + + + + + + + - + - isopentenyl diphosphate + 9,10-epoxy-18-hydroxyoctadecanoic acid - + - - - - all-trans-undecaprenol + + + N-acetyl-L-methionyl-L-phenylalanyl residue - + - - - - - - - - - 1D-myo-inositol 1,4,5-trisphosphate + + + L-methionyl-L-phenylalanyl(1+) residue - + - - - - - - - - - - - - - - - mesaconic acid + + + N-acetyl-L-methionyl-L-tyrosyl residue - + - - - - - - - - - - - - - - - trichloroethene + + + L-methionyl-L-tyrosyl(1+) residue - + - - - - - - - - - - spermidine + + + N-acetyl-L-methionyl-L-tryptophyl residue - + - - - - - - - - - 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate + + + L-methionyl-L-tryptophyl(1+) residue - + - - - - - - - - - methylmalonyl-CoA + + + prostaglandin B2(1-) - + - - - - - - - - - - - - - - - - - - - - - - raffinose + + + prostaglandin C2(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-methionine + + + + + prostaglandin B1(1-) - + - - - carbohydrate + + + prostaglandin J2(1-) - + - - - dialkyl phosphate + + + L-methionyl-L-alanyl(1+) residue - + - - - UDP-N-acetyl-D-galactosamine + + + N-acetyl-L-methionyl-L-alanyl residue - + - - - - - - - - - (S)-lactate + + + N-acetyl-L-methionyl-L-seryl residue - + - - - - - - - - - D-glycerate + + + L-methionyl-L-seryl(1+) residue - + - - - - - - - - - - - - - - - prephenic acid + + + N-acetyl-L-methionyl-L-valyl residue - + - - - - - - - - - - - - - - - - - - - - - hypotaurine + + + L-methionyl-L-valyl(1+) residue - + - - - - - - - - - - peptide + + + N-acetyl-L-methionyl-L-threonyl residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - quinolinic acid + + + L-methionyl-L-threonyl(1+) residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - S-adenosyl-L-homocysteine + + + N-acetyl-L-methionyl-L-lysyl(1+) residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - atropine + + + L-methionyl-L-lysyl(2+) residue - + - - - - - - - - - - - - - - - ecdysone + + + 13,14-dihydro-15-oxoprostaglandin E1(1-) - + - - - D-apiose + + + 15-oxoprostaglandin F2alpha(1-) - + - - - - - - - - - - - - - - - - guanosine 3'-diphosphate 5'-triphosphate + + + 13,14-dihydro-15-keto-PGF1alpha(1-) - + - - - - - - - - - - - dethiobiotin + + + N-acetyl-L-methionyl residue - + - - - diphthamide residue + + + O-(S-malonamoylpantetheine-4'-phosphoryl)serine(1-) residue - + - - - - - - - - - - - - - - - - - - - - - - uridine 5'-monophosphate + + + O-[S-(18-carbamoyl-3,5,7,9,11,13,15,17-octaoxooctadecanoyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - - 3-methylthiopropylamine + + + 2-isobutyrylphloroglucinol - + - - - - - - - - - - cyanamide + + + 13,14-dihydro-Delta(12)-prostaglandin J2(1-) - + - - - nucleoside 5'-phosphate + + + omega-ammonioaldehyde - + - - - - - - - - - - - - - - - - - - - - - uridine + + + + (5R)-5-hydroxy-L-lysine(1+) residue - + - - - 6-aminopenicillanic acid + + + (5R)-5-(beta-D-galactosyloxy)-L-lysine(1+) residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - adenine + + + 1-O-acylceramide - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - pyridoxine + + + saturated fatty acyl-L-carnitine - + - - - - - - - - - + + + monounsaturated fatty acyl-L-carnitine + + + + + + + + + methyl-branched fatty acyl-L-carnitine + + + + + + + + + oxo-fatty acyl-L-carnitine + + + + + + + + + hydroxy-fatty acyl-L-carnitine + + + + + + + + + (2E)-enoyl-L-carnitine + + + + + + + + + (5R)-5-[(alpha-D-glucosyl-(1->2)-beta-D-galactosyl)oxy]-L-lysine(1+) residue + + + + + + + + - + - + - + + (2E)-dec-2-enal + + + + + + + + - + - + - codeine + (3E)-3-nonen-2-one - + - - - - - - - - 1,5-anhydro-D-fructose + + + + beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide - + - - - - - - - - - - - - - - - - + + - + - benzene + hydantoin-5-propionate - + - - - - - - - - - (S)-reticuline + + + S-(long-chain fatty acyl)-L-cysteine residue - + - - - - - - - - - - - - - - - - - 4-hydroxybutyrate + + + saturated fatty acyl-AMP(1-) - + - - - - - - - - - - CDP-ethanolamine + + + alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-) - + - - - D-alpha-amino acid + + + polyunsaturated dicarboxylic acid dianion - + - - - - - - - - - - - - - - - - creatinine + + + omega-(methylthio)-2-oxocarboxylate - + - - - - - - - - - - - - - - - - - - - - - orotic acid + + + 2-(omega-methylthio)alkylmalate(2-) - + - - - 1-phosphatidyl-1D-myo-inositol + + + 3-(omega-methylthio)alkylmalate(2-) - + - - - - - - - - - guanosine + + + 3-(2-methylthioethyl)malate(2-) - + - - - - - - - - - - - - - - - - - chenodeoxycholic acid + + + 2-(omega-methylthio)alkylmaleate(2-) - + - - - - - - - - - - - - - - - - ADP + + + 2-(2-methylthio)ethylmaleate(2-) - + - - - - - - - - - - - - - - - - 2-oxobutanoate + + + 2-(2-methylthio)propylmaleate(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - tryptamine + + + 3-(3-methylthio)propylmalate(2-) - + - - - - - - - - - - - - - - - - - - - - - - - mycothiol + + + + beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide - + - - - - - berbamunine + + + + beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - - - - - - - 1D-myo-inositol 1,3,4,5-tetrakisphosphate + + + + alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide - + - - - CMP-N-acyl-beta-neuraminic acid + + + + alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - aldehydo-D-lyxose + + + + 3-hydroxyoctanoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - scopolamine + + + 3-methylglutaconate anion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - melatonin + + + + 2-hydroxyoctanoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - 2-oxoglutarate(2-) + + + + 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - methionine + + + (E)-3-methylglutaconate anion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - galactitol + + + + 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronate - + - - - - enol-phenylpyruvate + + + + N-acetyl-L-alaninate - + - - - - acyl monophosphate + + + N-acylphytosphingosine 1-phosphate(2-) - + - - - - - - - - - - - - - - - - - - - - - corticosterone + + + + + + oxodocosahexaenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - L-tryptophan + L-lysine zwitterion - + - - - - - - - - - - - methylamine + + + + + hydroxyicosatrienoate - + - - - - - - - - - - - - - - - 4-nitrophenol + + + + N-acetyl-L-threoninate - + - - - polyphosphate + + + + + + oxooctadecadienoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - mycophenolic acid + + + + + + hydroperoxyoctadecenoate - + - - - bis(3-aminopropyl)amine + + + + + + + hydroperoxyoctadecatrienoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - formaldehyde + + + 5-hydroxylysinium - + - - - UDP-alpha-D-galactosamine + + + N-acyl-gamma-aminobutyrate - + - - - + + + - + - coenzyme gamma-F420-2 + 2-hydroxy-4-methylvalerate - + - - - 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate + + + epoxyoctadecanoate - + - - - - - - - - - - - - - - - - D-lysine + + + + epoxyoctadecenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - glutathione + + + chlortetracycline(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-threonine + + + methanesulfinate - + - - - - - - - - - nucleoside diphosphate + + + + + 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-) - + - - - - 6-phospho-D-gluconate + + + + + leukotriene F4(2-) - + - - - D-ribofuranosyl-ADP + + + + 1-palmitoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - gamma-aminobutyric acid + + + + + hydroperoxy(epoxy)icosatrienoate - + - - - - D-methionine + + + + + + hydroperoxy(hydroxy)icosapentaenoate - + - - - glycerol monophosphate + + + + hydroxydocosapentaenoate - + - - - + + @@ -11339,488 +9534,251 @@ - - - - - - - + - + - glyoxylic acid + hyocholate - + - - - - - - - - - sphinganine 1-phosphate + + + glyphosate(1-) - + - - - - - chlorophyllide a + + + (aminomethyl)phosphonate(1-) - + - - - - - - - - - keto-D-fructose 1,6-bisphosphate + + + desmethylanhydrotetracycline zwitterion - + - - - - - - - - - - 4-nitroquinoline N-oxide + + + 4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion - + - - - - - - - - - - NADH + + + + N-acetyl-L-valinate - + - - - mandelonitrile + + + + hydroxyoctanoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - salicylic acid + + + glycochenodeoxycholic acid sulfate anion - + - - - - oligosaccharide phosphate + + + + naphthalene-1,2,4,8-tetrol - + - - - - - - - - + + + - + - gallate + 2-hydroxyhexanoate - + - - - - - - - - - + + + - + - + - + - creatine + (E)-dodec-2-enal - + - - - - - - - - - - - - - - - - - - - - - - L-saccharopine + + + citrate anion - + - - - - - - - - - - - - - - - - - ergosterol + + + epsilon-(gamma-glutamyl)lysine dizwitterion - + - - - - - - - - - - - - - - - - - - - - - - 3-cyano-L-alanine + + + (R)-PGA2-S-glutathione conjugate(2-) - + - - - - - - - - - lipid X + + + (S)-PGA2-S-glutathione conjugate(2-) - + - - - - - - - - - - - - - - - - - - - - - - L-kynurenine + + + (R)-PGJ2-S-glutathione conjugate(2-) - + - - - - - - - - - - citrate(3-) + + + (S)-PGJ2-S-glutathione conjugate(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - N-acetyl-L-aspartate(2-) + + + pimelate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - beta-alanine + + + dimethylargininium(1+) - + - - - - - - - - - - - - - - - ADP-D-ribose + + + + + + 1alpha-hydroxyandrost-4-ene-3,17-dione - + - - - - - - - - - - monoacylglycerol phosphate + + + + + linolenate - + - - - - - - - - - - + + + 2-hydroxybutyrates + + + + + + + + - + @@ -11829,1862 +9787,926 @@ - cortisone + erythronate - + - - - + + + + - 5-hydroxymethyluracil + prostaglandin G1 - + - - - heteroglycan + + + + + (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate - + - - - - - - - - - - - - - - - - - - - 11-deoxycorticosterone + + + + + (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate - + - - - - - - - - - - - - - - - - 1-acyl-sn-glycerol 3-phosphate + + + + + (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate - + - - - - - - - - - - - - - - - - - - L-alanine + + + + + (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate - + - - - - - - - - - - - - - - - D-ribose + + + + + (4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosapentaenoate - + - - - - - - - - - - - - - - - - - - - - - - bilirubin + + + + + 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - deoxyribonucleic acid + + + 13-HODE(1-) - + - - - - - - - - - - - - - - - - - - - - - oxalic acid + + + 9-HODE(1-) - + - - - - D-phenylalanine + + + polyunsaturated hydroxylipid - + - - - - - - - - - tropate + + + + + 4-O-[di(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(4-) - + - - - GDP-L-fucose + + + + (2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - N-acetylneuraminic acid + + + FMNH2(3-) - + - - + + - dTMP + NAD - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - riboflavin + + + 4-O-[1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate(4-) - + - - - - - - - - - glucomannan + + + + 4-O-[poly(1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - progesterone + + + + 4-O-({poly[1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - chitin + + + methanesulfinic acid - + - - - - - - - - - - 2-dehydro-3-deoxy-D-gluconic acid + + + chromopyrrolate(2-) - + - - - - fluoride + + + + + + + 8(S),15(S)-DiHPETE(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - L-aspartic acid + + + NAD(P)(+) - + - - - - - - - - - cellobiose + + + + + + + 14(R),15(S)-DiHPETE(1-) - + - - - - - - - - - - D-glutamine + + + 3-aminobutyryl-CoA(3-) - + - - - primary aliphatic amine + + + dUMP residue(1-) - + - - - - - - - - - - - - - - - - - - - - - - (R)-3-hydroxybutyric acid + + + + 8(S),15(S)-DiHETE(1-) - + - - - + + + + - + - 3-hydroxybenzyl alcohol + 2-trans-abscisic acid D-glucosyl ester - + - - - - + + + alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) + + + + + + + + + alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) + + + + + + + + + + + + - + - + - + - + + ochratoxin alpha + + + + + + + + + NAD(P)H + + + + + + + + + glycolaldehyde phosphate(2-) + + + + + + + + - - - - - - - streptomycin + 2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate - + - - - - - - - - + + + 3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate + + + + + + + + + + - + - 2-hydroxyglutaric acid + 5alpha-androst-1-ene-3,17-dione - + - - - ketone + + + + (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate - + - - - - monoacyl-sn-glycerol 3-phosphate + + + + (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate - + - - - - glycoprotein + + + + (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoate - + - - - - - - - - - - - - - - - - - biphenyl + + + + (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoate - + - - - phosphoramide + + + + (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoate - + - - - - - - - - - D-arabinose + + + + (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - 5-O-phosphono-alpha-D-ribofuranosyl diphosphate + + + + (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-serine + + + + (7Z,13Z,16Z,19Z)-10,11-epoxydocosatetraenoate - + - - - - - - - - - - - - - - - - - hexanoate + + + (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoate - + - - - - - - - - - - - - - - - carnitine + + + lithocholate sulfate(2-) - + - - + + + + - + - adipate(2-) + (3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one - + - - - - - - - - - - - - - - - - (S)-scoulerine + + + + (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate - + - - - - - - - - - - octopamine + + + + (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate - + - - - long-chain fatty alcohol + + + + (7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosapentaenoate - + - - - - - - - - - - - - - - - - - - - - - hydrogensulfite + + + 4'-methoxyisoflavones - + - - - - - - - - - - - - - - - - - - - - - - glyceraldehyde 3-phosphate + + + 5'-(N(7)-methyl 5'-triphosphoguanosine)-(purine-ribonucleotide)(2-) residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - D-xylulose + + + 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)(3-) residue - + - - - - - - - - - - - - - - - putrescine + + + N-retinylidene-N-retinylphosphatidylethanolamine betaine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - xylitol + + + primary nitroalkane - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - nicotinamide + + + + + + 12-oxo-6-trans-leukotriene B4(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - methylglyoxal + + + + + Delta(6)-trans-12-epi-leukotriene B4(1-) - + - - - - - - - - - - - - - - - - stachyose + + + S-(2,4-dinitrophenyl)glutathione(1-) - + - - - - - - - - - - - - - - + + + + + - + - (R)-lactaldehyde + prostaglandin D2 2-glyceryl ester - + - - - - - - - - - - - + + + + - + - 5alpha-cholest-7-en-3beta-ol + oxidised coenzyme F420-(gamma-Glu)n polyanion - + - - - - - - - - - - dimethylamine + + + 13(R)-HPODE(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - 2'-deoxyguanosine + + + (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid - + - - - long-chain fatty aldehyde + + + (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoate - + - - - - - - - - - cinnamyl alcohol + + + (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid - + - - - pinene + + + (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoate - + - - - nucleoside 5'-monophosphate + + + + + + + (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-isoleucine + + + + + + + (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate - + - - - - - - - - - - - - - - - - - - - - - - - 3,5-dibromo-4-hydroxybenzonitrile + + + N-oleoylglycinate - + - - - ADP-aldose + + + + 4'-O-methylnorbelladine(1+) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-asparagine + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - - - - - - - - - - - - - - - - - - - UDP-alpha-D-glucuronic acid + + + + (4aS,10bR)-noroxomaritidine(1+) - + - - - - - - - - - - - - - - - - - - - - - - IMP + + + + (4aR,10bS)-noroxomaritidine(1+) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-proline + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - (S)-4-hydroxymandelate + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - - - - - - - - - - - - - geranyl diphosphate + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - - 2-butenoic acid + + + + norbelladine(1+) - + - - - 3beta-hydroxy-Delta(5)-steroid + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - - - - - - - - - homocysteine + + + alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - - - - - - - m-cresol + + + alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - - - - - - - glucose + + + alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) - + - - - - - - - - - + + + - + - CDP + 11a-hydroxytetracycline - + - - - - - - - - - dehydroascorbic acid + + + + N-acyl-gamma-aminobutyric acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - carbon monoxide + + + + hydroperoxy polyunsaturated fatty acid anion - + - - - - - - - - D-nopaline + + + + N-oleoyl-L-phenylalaninate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 17alpha-hydroxyprogesterone + + + + N-oleoyl-L-phenylalanine - + - - + + + + N-arachidonoyl-L-phenylalaninate + + + + + + + + @@ -13694,4857 +10716,2433 @@ - - - - - - - - - - - - - + - 2'-deoxyadenosine + 1,2-bis(octadec-9-enoyl)phosphatidic acid - + - - - 7H-purine + + + + N-oleoyl-L-serinate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - estrone + + + + N-oleoyl-L-glutaminate - + - - - - - - - - - - - - - - - L-sorbose + + + + N-oleoyl-L-leucinate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - myo-inositol + + + N-octadecanoylglycinate - + - - - - - - - - - - - - - - - glycerol 2-phosphate + + + N-[(9Z)-hexadecenoyl]glycinate - + - - + + - + - propionate + polychlorinated dibenzodioxines and related compounds - + - - - - - - - - - - - - - - - - N-phosphocreatine + + + + (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoate - + - - - (S)-3-hydroxybutyric acid + + + + (8Z,11Z,14Z)-10-hydroperoxyicosatrienoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-phenylalanine + + + + (8Z,12E,14Z)-11-hydroperoxyicosatrienoate - + - - - - aniline + + + + + (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoate - + - - - UDP-sugar + + + + + (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate - + - - - - - - - - - - tetrachloroethene + + + + (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate - + - - - - - - - - - - - - - - - glucaric acid + + + + + (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - morphine + + + + + N-palmitoyl dopamine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - maltose + + + N-palmitoylserotonin - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - pectin + + + N-oleoylserotonin - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - pyridoxal + + + N-stearoylserotonin - + - - - - - - - - - D-glucosamine + + + + (1->4)-6-phospho-alpha-D-glucan polyanion - + - - - D-sorbose + + + N-hexadecanoyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine(1-) - + - - - 5,6,7,8-tetrahydromethanopterin + + + (5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate - + - - - chloric acid + + + 3-hydroxyanthocyanidin cation - + - - - - - - - - - nucleoside triphosphate + + + (2R,3R)-flavan-3-ol - + - - - - - - - - - - - - - - - - - - - - - - phytol + + + + 3-hydroxyanthocyanidin betaine - + - - - - - - - - - - - - - - - - - - - - - chorismic acid + + + (2S,3R)-flavan-3-ol - + - - - penicillin + + + (2S,3S)-flavan-3-ol - + - - - - - - - - - - - - - - - - all-trans-retinol + + + + N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - guanosine 5'-monophosphate + + + (acetamidomethyl)phosphonate(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - testosterone + + + (S)-(1-aminoethyl)phosphonate - + - - - - D-aldohexose 6-phosphate + + + [(S)-1-acetamidoethyl]phosphonate(1-) - + - - - - - - - - - - - - - - - - - - - - - - linoleic acid + + + (R)-2-amino-4-oxopentanoic acid zwitterion - + - - - - (S)-2-acetamido-6-oxopimelic acid + + + + N-arachidonoyl-L-leucinate - + - - - - - sulfite + + + (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate - + - - - - - - - - - - - - - - - - - - - - - - cytidine 5'-monophosphate + + + alpha-muricholate - + - - - - - - - - - - D-aspartic acid + + + beta-muricholate - + - - - - - - - - - - - hypoxanthine + + + N-oleoyl-L-isoleucinate - + - - - (2S)-2-hydroxy monocarboxylic acid + + + + N-oleoyl-L-glutamate(2-) - + - - - - - - - - - - - - - - - - - cystine + + + + (R)-NADHX - + - - - - - - - - - - - - - - - - - - - - - - - - - - - D-glyceraldehyde + + + 1-acylglycerol 16:0 - + - - - - O-acylcarnitine + + + + 1-acylglycerol 18:0 - + - - - - D-allose + + + 1-acylglycerol 18:1 - + - - - - - - - - - - - - - - - - - - - - - L-xylulose + + + + 1-acylglycerol 18:2 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - myo-inositol hexakisphosphate + + + 1-acylglycerol 20:4 - + - - - monoglyceride + + + + 2-acylglycerol 16:0 - + - - - - - - - - - - valeric acid + + + + 2-acylglycerol 18:0 - + - - - (R)-reticuline + + + + 2-acylglycerol 18:1 - + - - - - 3-ketosucrose + + + + 2-acylglycerol 18:2 - + - - - - - - - - - - - - - - - - agmatine + + + 2-acylglycerol 20:4 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - dimethyl sulfide + + + N-acylglycine 16:1 - + - - - - - - - - - - 3-hydroxyphenylacetic acid + + + N-acylglycine 18:0 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - geraniol + + + N-acylglycine 18:1 - + - - - methanofuran + + + N-acylethanolamine 16:1 - + - - - - - - - - - methylmalonate(2-) + + + N-acylethanolamine 18:0 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - lipoamide + + + N-acylethanolamine 18:1 - + - - - - - - - - - aldehyde + + + N-acylethanolamine 18:2 - + - - - (S)-atropine + + + N-acylethanolamine 20:4 - + - - - - - - - - - - - - - - - - - - - - - - 3',5'-cyclic AMP + + + N-acylethanolamine 20:5 - + - - - - - - - - - - - - - - - - glycolic acid + + + N-acylethanolamine 22:6 - + - - - hydrogen donor + + + + N-acylserotonin - + - - - - - - - - - cyanide + + + 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phosphoethanolamine zwitterion - + - - - - - - - - - - - - - - - phosphatidylglycerol + + + all-trans-4-hydroxyretinoate - + - - - - alditol + + + volatile organic compound - + - - - L-arogenic acid + + + (S)-all-trans-4-hydroxyretinoate - + - - - - - - - - - - - - - - - L-arabinopyranose + + + all-trans-4-oxoretinoate - + - - - - - - - - - - - - - - - - allantoate + + + 3',5'-cyclic IMP(1-) - + - - - - - methyl beta-D-galactoside + + + (R)-tembetarine - + - - - - - - - - - - - - - - - - - - - - + + + - + - hydrogencarbonate + (S)-tembetarine - + - - - - - - - - - - - alginic acid + + + 2-methyl-D-serine - + - - - - - - - - - - - - - - - - GDP + + + 2-methylserine - + - - - - - - - - - - - - - - - - - - - - - - O-phosphoethanolamine + + + methylcytosine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + N-acetyl-alpha-D-glucosaminyl-L-tyrosyl residue + + + + + + + + + aporphine alkaloid + + + + + + + + + + (R)-laudanosine(1+) + + + + + + + + + + (R)-tetrahydropapaverine(1+) + + + + + + + + + + (S)-glaucine(1+) + + + + + + + + + - quercitrin + (S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+) - + - - - - - - 3alpha(S)-strictosidine + + + L-xylo-3-hexulose - + - - - - - - - - - - - - - - - - - - - - - - - - L-cysteine + + + + bulbocapnine(1+) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - cytidine + + + + + + + + muricholic acids - + - - - - - - - - - phthalate(2-) + + + + N-methylbulbocapnine(1+) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - uracil + + + + decenals - + - + + + 1,4-benzosemiquinones + + + + + + + - glycyrrhetinate + (4S)-4,16-dihydroxyretinoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - toluene + + + phosphatidic acid 36:2 - + - - - - - - - - - - - - - - - + + - - - - - - - - - - - - - - - - - - - + - beta-carotene + (R)-2-hydroxyglutaryl-CoA - + - - - - - - - - - - L-homocysteine + + + (11R)-11-hydroperoxylinoleic acid - + - - - - - - - - - octane + + + + (11R)-11-hydroperoxylinoleate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - gemcitabine + + + alkanesulfonate oxoanion - + - - - maltooligosaccharide + + + + guaiacols - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + - - - - - - - hydroquinone + lipid A (E. coli) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - inosine + + + lipid A(4-) (E. coli) - + - - - - - - - - - - - - - - - + + + + - + - hexadecanal + beta-L-Ara4N-lipid A (E. coli) - + - - - - - - - - - 4-aminophenol + + + beta-L-Ara4N-lipid A(2-) (E. coli) - + - - - - D-aldohexose + + + (S)-mandelamide - + - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + - + - + - ferulic acid + 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one - + - - - - - - - - - - - - - - - - - - - - + + - + - FMN + keto-L-tagatose - + - - - - - - - - - - - - - - - - - - - - - - dUMP + + + + S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion - + - - - - cyclomaltodextrin + + + keto-D-tagatose 6-phosphate(2-) - + - - - - - - - - - - - - - - - - - - - - - - dUTP + + + keto-L-tagatose 6-phosphate(2-) - + - - + + + + - + - kanamycin A + O-succinyl-L-serine - + - - - - - nitrate + + + xanthohumol(1-) - + - - + + + phosphatidylcholine 12:0 + + + + + + + + - + - guanosine 3',5'-bis(diphosphate) + phosphatidylcholine 13:0 - + - - - - D-glucose + + + desmethylxanthohumol(1-) - + - - - sphingomyelin d18:1 + + + xanthogalenol(1-) - + - - - - - - - - - - - - pentachlorophenol + + + 4'-O-methylxanthohumol(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - + - + - cortisol + D-altritol - + - - - electron acceptor + + + + 2-acylphloroglucinol - + - - - - - - - - - (R)-mandelic acid + + + 2-(2-methylbutanoyl)phloroglucinol - + - - - - - - - - - - - - - - - - UDP + + + + + 2-acyl-4-prenylphloroglucinol - + - - - - - - - - - N(6)-dimethylallyladenine + + + 2-(2-methylbutanoyl)-4-prenylphloroglucinol - + - - - GDP-6-deoxy-alpha-D-mannose + + + + 2-(3-methylbutanoyl)-4-prenylphloroglucinol - + - - - ribonucleoside diphosphate + + + + 2-isobutyryl-4-prenylphloroglucinol - + - - - - - - - - - - - - - - - - carbamoyl phosphate + + + lupulone(1-) - + - - - - - - - - - - - - - - - - CTP + + + ergothioneine(1+) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - (S)-nicotine + deoxyhumulone - + - - - - - sphingosine-1-phosphocholine + + + 2-acyl-4,6-diprenylphloroglucinol(1-) - + - - - - - - - - - - - - - - - + + + + + + + - + - + - dihydrolipoamide + glandicoline B - + - - - - - - - - - isocyanuric acid + + + beta-bitter acid(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - chloramphenicol + + + colupulone(1-) - + - - - - - - - - - - - - - - - - undecan-2-one + + + lipid A 4'-(2-aminoethyl diphosphate) oxoanion - + - - - benzenediol + + + lipid A 1-(2-aminoethyl diphosphate) oxoanion - + - - - - + + + adlupulone(1-) + + + + + + + + - + - + - 5'-adenylyl sulfate + deoxycohumulone - + - - - (R)-mevalonic acid + + + deoxyadlupulone - + - - - + + + - + - 2'-deoxyadenosine 5'-monophosphate + 8-methylmenaquinone-6 - + - - + + + - + - lactose + 8-methylmenaquinol-6 - + - - - - - - - - - - - - - - + + + - (S,S,S)-nicotianamine + 8-geranylumbelliferone - + - - - - - - - - - - - - - - - S-methyl-L-methionine + + + + 8-geranylesculetin - + - - - - - - - - - - - - - - - - - - desmosterol + + + + allylic alcohol - + - - - - - - - - - - - - - - - - - - - - - - coniferol + + + + homoallylic alcohol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - thymidine + + + tertiary amine oxide - + - - - - - - - - - - glycine betaine + + + 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - glycerol + + + 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA - + - - - + + + + 2-bromocarboxylic acid + + + + + + + + - + - cystathionine + 5a,11a-dehydrooxytetracycline - + - - - (S)-mandelate + + + 2-acyl-4-prenylphloroglucinol(1-) - + - - - plastoquinone + + + 2-acylphloroglucinol(1-) - + - - - - ceramide + + + beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp - + - - - - - - - - - D-mannonate + + + beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp(1-) - + - - - - - - - - - - pimelate(1-) + + + 3,4,6-trichlorocatechol(1-) - + - - - - - - - - - lumichrome + + + + primary allylic alcohol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - methanol + + + + secondary allylic alcohol - + - - - - - - - - - L-idonate + + + + tertiary allylic alcohol - + - - - aldehydo-D-ribose 5-phosphate + + + D-proline betaine - + - - - - - - - - - - - - - - - - - - - - - dehydro-D-arabinono-1,4-lactone + + + ADP-5-ethyl-4-methylthiazole-2-carboxylic acid - + - - - - - - - - - - IDP + + + cationic peptidyl group - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - salicin + + + + + S-anthraniloyl-L-cysteine - + - - - - - - - - - - - - - - - - - - - - - - thymine + + + + + prostaglandin G3 - + - - - - - - - - + + + + - + - serine + prostaglandin H3 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - calcitriol + + + N-acetylcadaverine(1+) - + - - - - - - - - - propan-2-ol + + + N(alpha)-acetyl-L-methionyl-L-asparagine - + - - - - gentamycin + + + 10-formyltetrahydrofolyl-(Glu)n - + - - - - - - - - - - - - - - - - - - - - - - 4-aminobenzoate + + + 10-formyltetrahydrofolyl-(Glu)n polyanion - + - - - D-tagatose 6-phosphate + + + + 2-hydroxyhexacosanoyl-CoA(4-) - + - - - trypanothione + + + + 3-oxo fatty acid - + - - - transfer RNA + + + + + + 10,11-dihydro-12-oxoleukotriene B4 - + - - - - - - - - + + + - + - + - p-cresol + 10-HETE - + - - - triglyceride + + + + + + + + 12-oxo-20-hydroxyleukotriene B4 - + - - - - - - - - - - - - - - - glutaric acid + + + [(2->6)-beta-D-fructofuranosyl-]n alpha-D-glucopyranoside - + - - - 2-oxo-2H-pyran-4,6-dicarboxylic acid + + + L-vinylglycine zwitterion - + - - - - - - - - - - - - - - - FADH2 + + + + N-acetyl-L-methionyl-L-glutamine - + - - - - - - - - - - - - hydrogen chloride + + + N-acyl-alpha-aminoacyl group - + - - - donor + + + + N-acetyl-L-methionyl-L-leucine - + - - - (2R)-2-hydroxy monocarboxylic acid + + + + N-acetyl-L-methionyl-L-isoleucine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-tyrosine + + + + N-acetyl-L-methionyl-L-phenylalanine - + - - - - - - - - - - - - - - - - - - - - - all-trans-retinal + + + + N-acetyl-L-methionyl-L-tyrosine - + - - - N-carbamoylputrescine + + + + N-acetyl-L-methionyl-L-tryptophan - + - - - - - - - - - - coenzyme M + + + + N-acetyl-L-methionyl-L-alanine - + - - - - - - - - - - - - N(omega),N(omega)-dimethyl-L-arginine + + + + N-acetyl-L-methionyl-L-serine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - calcidiol + + + + N-acetyl-L-methionyl-L-valine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - puromycin + + + + N-acetyl-L-methionyl-L-threonine - + - - - - - - - - - + + - + - beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine + 13,14-dihydro-15-oxoprostaglandin E1 - + - - - 2'-deoxyribonucleoside diphosphate + + + + + 13,14-dihydro-15-keto-PGF1alpha - + - - - - - - - - - - - - - - - CDP-diacylglycerol + + + + S-(long-chain fatty acyl)-L-cysteine - + - - - pipecolic acid + + + alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol - + - - - - - - - - - - - - - - - - - - - - - butyrate + + + + + omega-(methylthio)-2-oxocarboxylic acid - + - - - ribonucleoside triphosphate + + + + + + 2-(omega-methylthio)alkylmalic acid - + - - - - - - - - - - - - - - - - - 3'-phospho-5'-adenylyl sulfate + + + polyunsaturated dicarboxylic acid - + - - - UDP-L-arabinose + + + + + + 3-(omega-methylthio)alkylmalic acid - + - - - - - - - - - - - acyl-CoA + + + + + + 2-(omega-methylthio)alkylmaleic acid - + - - - - - - - - - - - - - - - adenosine 3',5'-bismonophosphate + + + 2-(2-methylthio)ethylmaleic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - benzyl alcohol + + + 2-(2-methylthiopropyl)maleic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - sucrose + + + 3-(3-methylthio)propylmalic acid - + - - - - - - - - - - - - - - - - chloride + + + N-acylphytosphingosine 1-phosphate - + - - - - aralkylamine + + + + + + oxodocosahexaenoic acid - + - - - - - - - + + + - + - (-)-secologanin + diacylglycerol (18:1/0:0/18:1) - + - - - - - - - - - - - - - - - - - - - - - - keto-phenylpyruvate + + + + + + (4S)-4,16-dihydroxyretinoic acid - + - - - + + - + - NADP(+) + beta-dihydromenaquinone-9 - + - - - - - - - - - - - - - - - fumaric acid + + + N-[(2S)-2-amino-2-carboxyethyl]-L-glutamate(2-) - + - - - CMP-3-deoxy-alpha-D-manno-octulosonic acid + + + + + + hydroperoxyoctadecenoic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-lysine + + + + + + + hydroperoxyoctadecatrienoic acid - + - - - - - - - - - - - - - - - phosphoenolpyruvate + + + 2-(glutathion-S-yl)-1,4-hydroquinone(1-) - + - - - - - - - - - - thiocyanate + + + + epoxystearic acid - + - - - D-galacturonic acid + + + N-[omega-(linoleoyloxy)]acyl-beta-D-glucosyl-(1<->1)-sphingosine - + - - - - - - - - - - - - - - - - diglyceride + + + N-[omega-(9R)-hydroperoxy-(10E,12Z)-octadecadienoyloxy]acyl-beta-D-glucosyl-(1<->1)-sphingosine - + - - - GDP-L-galactose + + + N-[omega-(9R,10R)-epoxy-(13R)-hydroxy-(11E)-octadecenoyloxy]acyl-beta-D-glucosyl-(1<->1)-sphingosine - + - - - dialkyl ketone + + + (1E,2S)-2-methylbutanal oxime - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-glutamine + + + (1Z,2S)-2-methylbutanal oxime - + - - - - - - - - - - - - - - - - 1-aminocyclopropanecarboxylic acid + + + (2S)-2-methylbutanenitrile - + - - - diphthine + + + + L-polyhomomethionine zwitterion - + - - - lipid + + + + L-dihomomethionine zwitterion - + - - - UDP-D-glucose + + + + L-trihomomethionine zwitterion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - phylloquinone + + + + L-tetrahomomethionine zwitterion - + - - - - - - - - - cytochrome c + + + + L-pentahomomethionine zwitterion - + - - - - - - - - - - - - - - - - dTDP + + + + L-hexahomomethionine zwitterion - + - - - - - - - - - + + + + + + + hydroperoxy(epoxy)icosatrienoic acid + + + + + + + + + + + - + - dTTP + hydroperoxy(hydroxy)icosapentaenoic acid - + - - - glycosaminoglycan + + + + + hydroxydocosapentaenoic acid - + - - - myo-inositol polyphosphate + + + + desmethylanhydrotetracycline - + - - - - - - - - - - cyclohexanol + + + N-hydroxy-L-polyhomomethioninate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - 4-hydroxyphenylacetic acid + + + 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate - + - - - - - - - - - - - - - - - - - - - - - xanthosine + + + N,N-dihydroxy-L-polyhomomethioninate - + - - - ribosomal RNA + + + + N-hydroxy-L-dihomomethioninate - + - - - - - - - - - - - - - - - - - - - - - - N-methylnicotinate + + + + N,N-dihydroxy-L-dihomomethioninate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - cadaverine + + + + N-hydroxy-L-trihomomethioninate - + - - - hexose + + + + N,N-dihydroxy-L-trihomomethioninate - + - - - - - - - - - - - - - - - - - - - - - catechol + + + + N-hydroxy-L-tetrahomomethioninate - + - - - - - - - - - 3-(2,3-dihydroxyphenyl)propanoic acid + + + + N,N-dihydroxy-L-tetrahomomethioninate - + - - - - - - - - - - - - - - - - trimethylamine + + + + N-hydroxy-L-pentahomomethioninate - + - - - - - - - - - hydrogen halide + + + + N,N-dihydroxy-L-pentahomomethioninate - + - - - - - - - - - - - - - - - - ethene + + + + N-hydroxy-L-hexahomomethioninate - + - - - - polysaccharide + + + + N,N-dihydroxy-L-hexahomomethioninate - + - - - - - - - - - - - - - - - aerobactin + + + + omega-(methylsulfanyl)-(E)-alkanal oxime - + - - - selenic acid + + + + (E)-6-(methylsulfanyl)hexanal oxime - + - - - phosphoinositide + + + + (E)-5-(methylsulfanyl)pentanal oxime - + - - - - - - - - - - - - - - - - tyrosine + + + + (E)-7-(methylsulfanyl)heptanal oxime - + - - - (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate + + + + (E)-8-(methylsulfanyl)octanal oxime - + - - - - - - - - - - - - - - - - benzylpenicillin + + + + (E)-9-(methylsulfanyl)nonanal oxime - + - - - - - - - - - - - - - - - citrulline + + + UDP-D-galacturonic acid - + - - - selenite(2-) + + + UDP-alpha-D-glucosamine - + - - + + - + @@ -18553,1116 +13151,537 @@ - alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine + acyl-carrier protein - + - - - - - - - - - xylose + + + + + + rebeccamycin - + - - - - - - - - - sterigmatocystin + + + 3-oxo-5alpha-steroid - + - - - - - - - - - 1D-myo-inositol 1,3,4-trisphosphate + + + (E)-1-(glutathione-S-yl)-omega-(methylthio)alkylhydroximate(1-) - + - - - - chlorophyll a + + + + 1-aci-nitro-omega-(methylsulfanyl)alkane - + - - - - - - - - - arsenic acid + + + 3-aci-nitropropanoate - + - - - - xyloglucan + + + 4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate - + - - - - - - - - - - - - - - - glutamic acid + + + 3beta-hydroxysterol ester - + - - - - - 4-hydroxy-L-proline + + + + + (R)-PGA2-S-glutathione conjugate - + - - - - 2'-deoxyribonucleoside 5'-monophosphate + + + + + (S)-PGA2-S-glutathione conjugate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - dopamine + + + + 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA(4-) - + - - - (1->4)-beta-D-glucan + + + 4-hydroxy carboxylic acid - + - - - - - - - - - - - - - - - iron atom + + + + + (R)-PGJ2-S-glutathione conjugate - + - - - - - - - - - chondroitin 4'-sulfate + + + + + (S)-PGJ2-S-glutathione conjugate - + - - - + + + + - - - - - - - - - - - - - zymosterol + (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid - + - - - - ribonucleoside + + + + 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - ornithine + + + + 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4-) - + - - - - - - - - - - - - - - - - - - - - - - - 3,3',5-triiodo-L-thyronine + + + + + (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoic acid - + - - - - - - - - - - - - - - - N-carbamoyl-beta-alanine + + + 6,7-dihydropteridines - + - - - - - - - - - - - - - - - - - - dodecanoate + + + (+)-7-isojasmonate - + - - - - 2'-deoxyribonucleoside + + + + N-[(+)-7-isojasmonyl]-L-isoleucinate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - dihydrogen + + + N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate - + - - - nucleobase + + + tuberonate - + - - - - - - - - - alpha,alpha-trehalose 6-phosphate + + + N-jasmonyl-L-alpha-amino acid anion - + - - + + - + - L-fucose + jasmonic acid anion - + - - - - - - - - - - - - - - - manganese atom + + + phosphatidylinositol 36:4 - + - - - - - - - - - - - - - - - jasmonic acid + + + phosphatidylinositol 36:2 - + - - - - - - - - - - - - - - - - - - - - - - histamine + + + phosphatidylinositol 38:4 - + - - - chondroitin 6'-sulfate + + + phosphatidylinositol 34:2 - + - - - - - - - - - - - - - - - - - - - - - maleic acid + + + phosphatidylserine 36:1 - + - - - - - - - - - - - phosphatidyl-L-serine + + + phosphatidylserine 36:2 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - deamido-NAD(+) + + + 9-[(9Z)-octadecenoyloxy]octadecanoate - + - - - - - - - - - - - - - - - - hydroquinone O-beta-D-glucopyranoside + + + 9-hydroxyoctadecanoate - + - - - - - - - - - UDP-D-galactose + + + 12-[(9Z)-octadecenoyloxy]octadecanoate - + - - - - - - - - - acrylic acid + + + 13-[(9Z)-octadecenoyloxy]octadecanoate - + - - - - alkane + + + 13-hydroxyoctadecanoate - + - - - - - - - - - - - pyrroloquinoline quinone + + + 9-[(9Z)-hexadecenoyloxy]octadecanoate - + - - - - - - - - - - - - - - - - - - - - - - 1,4-dithiothreitol + + + 12-[(9Z)-hexadecenoyloxy]octadecanoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-thyroxine + + + 13-[(9Z)-hexadecenoyloxy]octadecanoate - + - - - D-arabinitol + + + 12-(octadecanoyloxy)octadecanoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - kynurenic acid + + + 13-(octadecanoyloxy)octadecanoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - vanillin + + + + 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA(4-) - + - - - - - - - - - - - - - - - 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + + + + + (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid - + - - - - - - - - - - - - - - - - - - - - - holo-[acyl-carrier protein] + + + + + (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid - + - - - - phosphate(3-) + + + + + (4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosapentaenoic acid - + - - - - - - - - - - - - - - - - - 7,8-dihydroneopterin 3'-triphosphate + + + + + + 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid - + - - - nucleoside 3',5'-cyclic phosphate + + + 5-[(9Z)-hexadecenoyloxy]octadecanoate - + - - - - - - - - - - - - - - - - dermatan sulfate + + + + flavanone 7-O-beta-D-glucoside - + - - - - - - - - - nitrile + + + 5-hydroxyoctadecanoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - thiamine(1+) + + + 9-(octadecanoyloxy)octadecanoate - + - - - - - - - - - - - - - - - D-gluconate + + + 5-[(9Z)-octadecenoyloxy]octadecanoate - + - - - 2-dehydropantolactone + + + 4-O-[1-D-ribitylphosphono-(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate - + - - - - - - - - - - - - - - - - - - - - - - - 2-phenylethylamine + + + + + (2xi)-3-deoxy-7-O-phosphonato-beta-D-threo-hept-6-ulopyranosonate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - phenylacetate + + + N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside(1-) - + - - + + @@ -19672,1164 +13691,1132 @@ - - - - - - - + - L-arabinitol + 8(S),15(S)-DiHPETE - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - + - pyridoxal 5'-phosphate + 14(R),15(S)-DiHPETE - + - - - - - - - - - - - - - - - - - - - - - - hydrogen cyanide + + + 13-hydroxyoctadecanoic acid - + - - - laminarabiose + + + + 5-hydroxy-(6E,8Z,11Z,14Z)-icosatetraenoyl-CoA(4-) - + - - - - - - - - - - - - N(omega)-phospho-L-arginine + + + + 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA(4-) - + - - - - - - - - - - lactaldehyde + + + + 15-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl-CoA(4-) - + - - - - - - - - - - - - - - - - - - - - - - - - superoxide + + + + (4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoate - + - - - - - - - - - - - - - - - - - - - - - sulfur dioxide + + + + (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoate - + - - - (1->3,1->4)-beta-D-glucan + + + 5'-end 2'-deoxyribonucleotide(2-) residue - + - - - - - - - - - D-pipecolate + + + adenosine-5'-diphospho-5'-(2'-deoxyribonucleotide) residue(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - nicotine + + + adenosine-5'-diphospho-5'-ribonucleotide-2'-deoxyribonucleotide residue(3-) - + - - - (S)-mevalonate + + + 5'-phosphate ribonucleotide-(2'-deoxyribonucleotide) residue(3-) - + - - - - 1,2,3-tribromopropane + + + 5'-end 2'-deoxyribonucleoside residue - + - - - - - - - - - - - - - - - - 1,3-dichloropropan-2-ol + + + guanosine-5'-diphospho-5'-(2'-deoxyribonucleotide)(2-) residue - + - - - - - - - - - 1,3-dichloropropene + + + 3'-end 2'-deoxyribonucleotide-3'-diphospho-5'-guanosine(3-) residue - + - - - delta-lactone + + + 3'-end 5'-phosphate-ribonucleotide(3-) residue - + - - + + + (Z)-desulfoglucotropeolin + + + + + + + + + (E)-omega-[(methylsulfanyl)alkyl]thiohydroximate + + + + + + + + + omega-(methylsulfanyl)alkyl desulfoglucosinolate + + + + + + + + + N-hydroxyimidothioate + + + + + + + + + glycol + + + + + + + + + (E)-2-(indol-3-yl)-1-thioacetohydroximate + + + + + + + + + + - + - 1-methylguanosine + 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid - + - - - - 17-oxo steroid + + + omega-[(methylsulfanyl)alkyl]glucosinolate - + - - - 2'-deoxyadenosine 5'-phosphate + + + omega-[(methylsulfinyl)alkyl]glucosinolate - + - - - 2'-deoxyadenosine phosphate + + + 2-hydroxy-(indol-3-yl)acetate - + - - - - purine 2'-deoxyribonucleoside + + + + + 3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid - + - - - - pyrimidine 2'-deoxyribonucleoside + + + D-thioglucoside - + - - - 2'-deoxyribonucleoside monophosphate + + + (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoate - + - - - - - 2'-deoxyribonucleotide + + + beta-D-thioglucoside - + - - - (2,4,5-trichlorophenoxy)acetate + + + (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoate - + - - - (2,4-dichlorophenoxy)acetate + + + + desulfoglucosinolic acid - + - - - + + + (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoate + + + + + + + + + (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate(1-) + + + + + + + + + + 1-aci-nitro-2-(1H-indol-3-yl)ethane + + + + + + + + + (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1-) + + + + + + + + + Cer(d18:0/18:1) + + + + + + + + + + glycolaldehyde phosphate + + + + + + + + - + - 2,6-dibromophenol + + + + + + + 8(S),15(S)-DiHETE - + - - + + + - + - + - + - 4-(trimethylammonio)butanoic acid - - - - - - - - - - - + - + - + - propachlor + N-(2,6-diethylphenyl)-2-chloroacetamide - + - - - 2-deoxy-D-glucoside + + + phosphatidylinositol (16:0/18:2) - + - - - 2-deoxyribose 1-phosphate + + + + N-(2-ethyl-6-methylphenyl)-2-chloroacetamide - + - - - 2-deoxyribose 5-phosphate + + + homocysteine derivative - + - - - 2-deoxyribose bisphosphate + + + + mycobilin a(2-) - + - - - 2-deoxyribose phosphate + + + + mycobilin b(2-) - + - - - 2-enoyl-CoA + + + + biliverdin beta(2-) - + - - - - - - - - - N(2)-methylguanosine + + + + biliverdin delta(1-) - + - - - - 3',5'-cyclic purine nucleotide + + + + manganese dioxide - + - - - - 3-hydroxy-3-phenylpropionic acid + + + + bacteriochlorophyllide e(1-) - + - - - 3-O-methylgallate + + + + 7,7-dihydroxybacteriochlorophyllide c(1-) - + - - - - 3-chloroacrylic acid + + + indol-3-ylmethylamine(1+) - + - - - - - 3-hydroxy-L-proline + + + + 3-(methylaminomethyl)indole(1+) - + - - - - - - - - - - - 3-hydroxybutyric acid + + + + gramine(1+) - + - - - - - - - - - 3-methylquinoline + + + anaerobilin dizwitterion - + - - - - 3-oxo-Delta(1) steroid + + + 8-amino-8-demethylriboflavin(1-) - + - - - - lanostane + + + 8-demethyl-8-(methylamino)riboflavin(1-) - + - - - cinnamyl alcohol beta-D-glucoside + + + roseoflavin(1-) - + - - - - - - - - - - - - - - - 1D-myo-inositol 1,4,5-trisphosphate(6-) + + + (9Z,12Z)-11-hydroxyoctadecadienoate - + - - - - - 4-hydroxy-L-lysine + + + 7-HETE(1-) - + - - + + + 13-HETE(1-) + + + + + + + + + + 13-oxo-9,11-octadecadienoic acid + + + + + + + + + + (R)-2-(phosphonomethyl)malate(3-) + + + + + + + + + + + + (+)-sesamin monocatechol + + + + + + + + + + - + - 4-hydroxyproline + (+)-sesamin dicatechol - + - - - EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor + + + alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl(1-) group - + - - - 5beta-cholane + + + alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide(1-) - + - - - 2-aminopurines + + + + + + + + + + + + + + + + (4aS,10bR)-noroxomaritidine - + - - - 6-aminopurines + + + + + + + + + + + + + + + + (4aR,10bS)-noroxomaritidine - + - - - + + + long-chain fatty acyl-AMP(1-) + + + + + + + + - + - 7-methylguanosine + (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid - + - - - phenanthrene-9,10-diol + + + (R)-dyspropterin - + - - - ADP-glycero-D-manno-heptose + + + + (6R)-6-lactoyl-5,6,7,8-tetrahydropterin - + - - - - C-glycosyl compound + + + (24S)-hydroxycholesterol 24-sulfate(1-) - + - - - C19-gibberellin + + + (24S)-hydroxycholesterol 3-sulfate(1-) - + - - - C20-gibberellin + + + (24S)-hydroxycholesterol 3,24-disulfate(2-) - + - - - CMP-sugar + + + + + + + + + (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid - + - - - D-galactoside + + + (6R)-5,6,7,8-tetrahydrobiopterin - + - - - D-glucose monophosphate + + + (6R)-5,10-methylenetetrahydrofolate poly(gamma-L-glutamate) macromolecule - + - - - glucose phosphate + + + + + + + + + (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoic acid - + - - - - aldohexose phosphate + + + + + epoxydocosatetraenoic acid - + - - + + - + - mannonic acid + (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid - + - - - ribose diphosphate + + + + + + + + + (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid - + - - - D-altrarate(1-) + + + cholesterol sulfate(1-) - + - - - D-altraric acid + + + + 2-hydroxy-(indol-3-yl)acetic acid - + - - - - GDP-alpha-D-mannosylchitobiosyldiphosphodolichol + + + 17beta-estradiol 3-sulfate(1-) - + - - - GDP-hexose + + + + + + + + + (7Z,13Z,16Z,19Z)-10,11-epoxydocosatetraenoic acid - + - - + + - + + (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoic acid + + + + + + + + + + + - + - GDP-mannose + (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid - + - - - GDP-sugar + + + + beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminide - + - - - L-2'-bromophenylalanine + + + N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminide(1-) - + - - - L-3'-bromophenylalanine + + + + 4-O-phosphonato-D-threonate(3-) - + - - - L-4'-bromophenylalanine + + + D-erythronate - + - - - arogenic acid + + + + + (S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-) - + - - - - vitamin C + + + + + (R)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-) - + - - + + + + + - + - L-idonic acid - - - - - - - - - idonic acid + (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid - + - - - rhamnonic acid + + + + + + (7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosapentaenoic acid - + - - - - - - - - - L-altrarate(1-) + + + 4-hydroxy monocarboxylic acid anion - + - - - - - - - - - L-altraric acid + + + + + + 12-oxo-6-trans-leukotriene B4 - + - - - - - - - - - - Mo-molybdopterin cofactor + + + + 3-amino-D-alanine - + - - - N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine + + + 3-amino-D-alanine zwitterion - + - - - N-acetyl-D-glucosaminyl groups + + + (1->4)-6-phospho-alpha-D-glucan - + - - - - - N-acetyl-L-amino acid + + + + N-arachidonoyl-L-phenylalanine - + - - - - - - - - - + + + - + @@ -20838,3320 +14825,3604 @@ + N-oleoyl-L-serine + + + + + + + + + + N-oleoyl-L-glutamine + + + + + + + + + + N-oleoyl-L-leucine + + + + + + + + + - - - - - - - N-acetyl-L-aspartic acid + N-[(9Z)-hexadecenoyl]glycine - + - - - - - N-acetyl-amino acid + + + aci-nitro compound - + - - - N-acetyl-D-hexosamine + + + + + + + + + + N-octadecanoylglycine - + - - - N-acetyl-D-muramic acid + + + 2,6-O-bis(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) - + - - - N-acetylneuraminates + + + 2-O-(alpha-D-mannopyranosyl)-6-O-(6-acyl-alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) - + - - - N-acetylneuraminic acids + + + (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoic acid - + - - - N-acyl-D-glucosamine 1-phosphate + + + + + + + hydroperoxyicosatrienoic acid - + - - - N-acyl-D-glucosamine phosphate + + + (8Z,11Z,14Z)-10-hydroperoxyicosatrienoic acid - + - - - - N-acylglucosamine + + + (8Z,12E,14Z)-11-hydroperoxyicosatrienoic acid - + - - - N-acyl-L-amino acid + + + (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid - + - - - - - N-acyl-L-aspartic acid + + + + + + (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid - + - - - - N-acyl-aspartic acid + + + + estrone 3-O-(beta-D-glucuronide)(1-) - + - - - - N-acylgalactosamine + + + + 16alpha-hydroxyestrone 3-O-(beta-D-glucuronide)(1-) - + - - - N-acyl-hexosamine + + + + 16alpha-hydroxyestrone 16-O-(beta-D-glucuronide)(1-) - + - - - N-acylneuraminates + + + steroid glucosiduronic acid anion - + - - - N-alanyl-glycosylphosphatidylinositolethanolamine + + + 9-hydroxyoctadecanoic acid - + - - - N-asparaginyl-glycosylphosphatidylinositolethanolamine + + + + testosterone 17-O-(beta-D-glucuronide)(1-) - + - - - N-aspartyl-glycosylphosphatidylinositolethanolamine + + + (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium - + - - - N-cysteinyl-glycosylphosphatidylinositolethanolamine + + + + 17beta-estradiol 3-O-(beta-D-glucuronide)(1-) - + - - - - - N-glycosyl compound + + + + 17alpha-estradiol 17-O-(beta-D-glucuronide)(1-) - + - - - N-glycyl-glycosylphosphatidylinositolethanolamine + + + + estriol 3-O-(beta-D-glucuronide)(1-) - + - - - - N-methyl-L-alpha-amino acid + + + + estriol 16-O-(beta-D-glucuronide)(1-) - + - - - N-methyl-amino acid + + + 20-hydroxyprostaglandin E2(1-) - + - - - N-methylethanolamine + + + 13(S)-HETE(1-) - + - - - N-methylglycines + + + + 13(R)-HODE(1-) - + - - - N-seryl-glycosylphosphatidylinositolethanolamine + + + + + (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid - + - - - - hypusine + + + + + (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoic acid - + - - - - - L-pyrrolysine + + + 20-hydroxyprostaglandin E1(1-) - + - - - N(alpha)-methyl-L-histidines + + + (5Z,8R,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid - + - - - - - O-phosphoamino acid + + + 20-hydroxyprostaglandin A1(1-) - + - - - - O-phosphorylhomoserine + + + + (R)-3,4-dihydroxy-2-oxobutanoate - + - - - o-succinylhomoserine + + + + (S)-3,4-dihydroxy-2-oxobutanoate - + - - - - - O-(N-acetylglucosamine-1-phosphoryl)-L-serine + + + + (S)-2,4-dihydroxy-3-oxobutanoate - + - - - sulfoxide + + + N-hexadecanoyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine - + - - - TDP-sugar + + + + epitestosterone 17-O-(beta-D-glucuronide)(1-) - + - - - UDP-D-galactosamine + + + + (acetamidomethyl)phosphonic acid - + - - - UDP-D-glucosamine + + + + (S)-(1-aminoethyl)phosphonic acid - + - - + + + + [(S)-1-acetamidoethyl]phosphonic acid + + + + + + + + + + - + - 2-cis-abscisic acid + + + + + + + 4',7-dihydroxyflavanone - + - - - acaricide + + + + (R)-2-amino-4-oxopentanoic acid - + - - - acetamides + + + tembetarine - + - - - - EC 2.2.1.6 (acetolactate synthase) inhibitor + + + + N-arachidonoyl-L-leucine - + - - - acetyl-amino acid + + + (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid - + - - - acridines + + + + + + + + + + + 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phosphoethanolamine - + - - - acrylamides + + + N-acetyl-alpha-D-glucosaminyl-L-tyrosine - + - - - acyl group + + + + 3-oxochenodeoxycholoyl-CoA(4-) - + - - - - adamantanones + + + + + + + + + + S-adenosyl-S-carboxymethyl-L-homocysteine - + - - - - - adenosine bisphosphate + + + + 3-oxocholoyl-CoA(4-) - + - - - - adenosine phosphate + + + + 3-oxodeoxycholoyl-CoA(4-) - + - - - adenosines + + + + + + + ximelagatran (hydroxylamine form) - + - - - - - - - - - aflatoxin + + + + 3-oxocholan-24-oyl-CoA(4-) - + - - - - aldaric acid anion + + + N-propanoyl-L-methioninate - + - - - - aldaric acid + + + N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl-L-serine residue - + - - - - alditol phosphate + + + N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-6-O-phosphonato-alpha-D-mannosyl-L-serine(2-) residue - + - - - - aldonate + + + N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl-L-threonine residue - + - - - aldonic acid phosphate + + + N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-6-O-phosphonato-alpha-D-mannosyl-L-threonine(2-) residue - + - - - - aldonic acid + + + + N-oleoyl-L-isoleucine - + - - - aldoxime + + + + pivaloyl-CoA(4-) - + - - - - - alkaline earth metal atom + + + + N-oleoyl-L-glutamic acid - + - - - - - alkali metal atom + + + C-terminal-gamma-(L-glutamyl)-L-glutamyl(3-) group - + - - - - - - - - - alkaloid + + + N-(fatty acyl)-L-alpha-amino acid anion - + - - + + + C-terminal-gamma-(5-phospho-L-glutamyl )-L-glutamyl(4-) group + + + + + + + + - + - alkanesulfinate + (S)-all-trans-4-hydroxyretinoic acid - + - - - alkyl group + + + 5-hydroxymethyldeoxycytidine 5'-monophosphate(1-) residue - + - - - - alkyl phosphate + + + + + + + (R)-laudanosine - + - - - aliphatic sulfide + + + + + + + (R)-tetrahydropapaverine - + - - - alkylamines + + + + 2-O-[alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glycerate - + - - - alkylating agent + + + + 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glycerate - + - - - alkyne + + + + 5-phospho-D-xylonic acid - + - - - alpha-D-glucan + + + + 5-phospho-D-xylonate (3-) - + - - - - alpha-D-glucoside + + + + D-xylono-1,4-lactone-5-phosphate - + - - - - 3-sulfinato-L-alaninate(2-) + + + D-xylono-1,4-lactone-5-phosphate(2-) - + - - - alpha-hydroxynitrile + + + + L-arabino-1,4-lactone-5-phosphate - + - - - - amino alcohol + + + L-arabino-1,4-lactone-5-phosphate(2-) - + - - - - amino cyclitol glycoside + + + + 5-phospho-L-arabinonic acid - + - - - - amino disaccharide + + + + 5-phospho-L-arabinonate(3-) - + - - - amino oligosaccharide + + + + + long-chain (3S)-hydroxy fatty acyl-CoA(4-) - + - - - glucosamine oligosaccharide + + + + long-chain 3-oxo-fatty acyl-CoA(4-) - + - - - - aminobenzenesulfonate + + + (22E)-3-oxochola-4,22-dien-24-oyl-CoA(4-) - + - - - aminobenzoate + + + + + short-chain (3S)-hydroxy fatty acyl-CoA(4-) - + - - - - aminobenzoic acid + + + C-terminal-gamma-(L-glutamyl 5-semialdehyde)-L-glutamyl(2-) group - + - - - - aminodiol + + + C-terminal-gamma-(L-ornithyl)-L-glutamyl(1-) group - + - - - - aminoglycan + + + L-alpha-phenylglycine zwitterion - + - - - - aminoglycoside antibiotic + + + + N-acetyl-L-alpha-phenylglycinate - + - - - aminoimidazole + + + alpha-D-galactopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->3)-1,2-diacyl-sn-glycerol - + - - - - - - - - - - - - - - - 2-phenylethanaminium + + + 4-thiouridine 5'-phosphate(1-) residue - + - - - aminopurine + + + 5-methyl-2-thiouridine 5'-phosphate(1-) residue - + - - - - amino sugar phosphate + + + + 12-hydroxyjasmonates - + - - - anhydrohexose + + + + 12-sulfojasmonate - + - - - anhydro sugar + + + + 11-hydroxyjasmonate - + - - - - anilines + + + + 11-sulfojasmonate - + - - - anion + + + 5-hydroxyoctadecanoic acid - + - - - - - ansamycin + + + RNA polyanion 2',3'-cyclic phosphate - + - - - - anthraquinone + + + RNA polyanion nucleotide 2'-phosphate - + - - - - - - - - - - - - - - - - - - antimycin A + + + + cyclobis-(1->6)-alpha-nigerosyl - + - - - antioxidant + + + alpha-D-Glcp-(1->6)-alpha-D-Glcp-(1->3)-alpha-D-Glcp-(1->6)-D-Glcp - + - - - antiviral agent + + + + + mandelamide - + - - - arabinan + + + (E)-1-(glycyl-L-cystein-S-yl)-omega-(methylthio)alkylhydroximate zwitterion - + - - + + + + - + - arabinose + + + + + + + xanthogalenol - - - - - arabinoside - - + - - - - - - arabinoxylans - - - - - - - - - - - - - - + + + + - + - arabinitol + 4'-O-methylxanthohumol - + - - - arginine derivative + + + + 1-aci-nitro-2-(phenyl)ethane - + - - - arsenate ion + + + S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine zwitterion - + - - - - - - - - - arsenic molecular entity + + + S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine zwitterion - + - - - - arsenite ion + + + Cys(IAN)-Gly zwitterion - + - - - organoarsonic acid + + + glycolaldehyde triphosphate(4-) - + - - - arylalkylamine + + + + + 2-sulfenohercynine - + - - - - arenecarboxamide + + + pheophytin a(1-) - + - - - arylmercury compound + + + nickel-sirohydrochlorin(8-) - + - - + + + tenuazonic acid(1-) + + + + + + + + + + + - + - ascorbate + beta-bitter acid - + - - - ascorbic acid + + + 3-oxo-Delta(4)-steroid group - + - - - - - - - - - - - - - - - - - - - - - - asparagine + + + + + 2-acyl-4,6-diprenylphloroglucinol - + - - - - aspartate family amino acid + + + colupulone - + - - - - - - - - - - - - - - - - aspartic acid + + + adlupulone - + - - - aspartic acid derivative + + + 3-(acyloxy)acyl group - + - - - auxin + + + + O-succinyl-L-serinate(1-) - + - - - - azobenzenes + + + + N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - base + + + + + beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp - + - - - benzaldehydes + + + pro-agent - + - - - benzamides + + + antidote to sarin poisoning - + - - - - benzenetriol + + + oligoglycosyl-(1->4)-beta-D-glucose - + - - - benzenes + + + oligoglycosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide - + - - - arenesulfonate oxoanion + + + + + + 1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose - + - - - - benzimidazoles + + + 5-hydroxyuridine 5'-phosphate(1-) residue - + - + + + C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue + + + + + + + + + 5-(carboxymethoxy)uridine 5'-phosphate(2-) residue + + + + + + + + - benzoates + 3-carboxy-3-hydroxypropanoyl-CoA(5-) - + - - - - - - - - - benzodiazepine + + + + + 17-epiestriol 3-O-(beta-D-glucuronide)(1-) - + - - - - benzoic acids + + + + + 17-epiestriol 17-O-(beta-D-glucuronide)(1-) - + - - - benzophenones + + + + + 17-epiestriol 16-O-(beta-D-glucuronide)(1-) - + - - - - benzopyran + + + + + 16-epiestriol 3-O-(beta-D-glucuronide)(1-) - + - - - - - benzopyrrole + + + + + 16-epiestriol 16-O-(beta-D-glucuronide)(1-) - + - - - benzoquinones + + + + nickel-sirohydrochlorin a,c-diamide(6-) - + - - - benzoyl-CoAs + + + + 15,17(3)-seco-F430-17(3)-acid(6-) - + - - - benzyl alcohols + + + 5beta steroid - + - - - - benzyl group + + + 3-dimethylallyl-4-hydroxymandelate - + - - - benzylisoquinoline alkaloid + + + 2'-unsubstituted isoflavones - + - - - - berberine alkaloid + + + dTDP-L-rhamnose(2-) - + - - - - beta-D-glucoside + + + 5'-(5'-triphosphoguanosine)-(purine-ribonucleotide)(3-) residue - + - - - beta-alanine derivative + + + O-[S-(3S)-hydroxy-3-methylglutarylpantetheine-4'-phosphoryl]-L-serine(2-) residue - + - - - - amino-acid betaine + + + + + chenodeoxycholic acid 24-O-(beta-D-glucuronide)(1-) - + - - - bilins + + + + + cholic acid 24-O-(beta-D-glucuronide)(1-) - + - - - biopterins + + + + + deoxycholic acid 24-O-(beta-D-glucuronide)(1-) - + - - - - - biphenyls + + + + + lithocholic acid 24-O-(beta-D-glucuronide)(1-) - + - - - - bis(molybdopterin guanine dinucleotide)molybdenum + + + + + hyodeoxycholic acid 24-O-(beta-D-glucuronide)(1-) - + - - - bisphenol + + + + + hyocholic acid 24-O-(beta-D-glucuronide)(1-) - + - - - bisphosphoglyceric acid + + + + + hyodeoxycholate 6-O-(beta-D-glucuronide)(2-) - + - - - - - - - - - blasticidin + + + + + hyocholate 6-O-(beta-D-glucuronide)(2-) - + - - - - - - - - - - bleomycin + + + + (7S)-7-hydroxy-C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue - + - - - borate + + + (7R,8R)-7,8-dihydroxy-C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue - + - - - - borate ion + + + O-[S-(7-oxoheptanoyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - bornane monoterpenoid + + + N-(4-ammoniobutylidene)-L-lysinium(2+) residue - + - - - - - - - - - boron molecular entity + + + 1,2-diacyl-sn-glycero-3-phospholipid - + - - - phytogenic insecticide + + + monoacyl-sn-glycero-3-phospholipid - + - - - branched-chain amino acid + + + + + 5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide)(1-) - + - - - brassinosteroid + + + + 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide](2-) - + - - - - bromohydrocarbon + + + + + 2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) - + - - - - - - - - - bromine atom + + + + + 2-hydroxy-17beta-estradiol 2-O-(beta-D-glucuronide)(1-) - + - - - - - - - - - bromine molecular entity + + + + + 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) - + - - - - bromoalkane + + + + + 4-hydroxy-17beta-estradiol 4-O-(beta-D-glucuronide)(1-) - + - - - - bromoamino acid + + + ditrans,polycis-polyprenyl diphosphate(3-) - + - - - - bromophenylalanine + + + + + lithocholate 3-O-(beta-D-glucuronide)(2-) - + - - - butanediols + + + 3beta-hydroxysteroid-4alpha-carboxylate - + - - - butanoyl-CoAs + + + + + 2-hydroxyestrone 3-O-(beta-D-glucuronide)(1-) - + - - - butenedioic acid + + + + + 4-hydroxyestrone 3-O-(beta-D-glucuronide)(1-) - + - - - - - butenoic acid + + + + + 4-hydroxyestrone 4-O-(beta-D-glucuronide)(1-) - + - - - - butenoyl-CoA + + + + + 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-) - + - - - + + + + + - + - cadinene - - - - - - - - - + - calcium atom + + + + + + + + + + + + + 4-methoxyestrone - + - - - - - - - - - calcium molecular entity + + + + + 4-methoxyestrone 3-O-(beta-D-glucuronide)(1-) - + - - - calcium ionophore + + + + + 2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) - + - - - + + + + + - + - camalexin + + + + + + + + + + + + + 4-methoxy-17beta-estradiol - + - - - caprolactams + + + + + 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) - + - - - carbamate ester + + + 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)-(ribonucleotide)(3-) residue - + - - - carbamoyl group + + + 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)-(2'-O-methyl-ribonucleotide)(3-) residue - + - - - - - - - - - carbohydrate-containing antibiotic + + + isowyosine 5'-monophosphate(1-) residue - + - - - - carbon oxide + + + + + 2-hydroxy-3-O-methyl estrone - + - - - EC 4.2.1.1 (carbonic anhydrase) inhibitor + + + 5alpha-dihydrotestosterone sulfate(1-) - + - - - carbonyl group + + + (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate(1-) - + - - - carotene + + + EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor - + - - - - epoxycarotenoid + + + + S-prenyl-L-cysteine zwitterion - + - - - carotenoid + + + + 2-hydroxyhexacosanoyl-CoA - + - - - carotenol + + + + + + + + + + N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid - + - - - catechin + + + + + + + + + + + + N-[(8Z,11Z,14Z)-5,6-epoxyicosatrienoyl]ethanolamine - + - - - cephalosporanic acid + + + + + + + + + + + + N-[(5Z,11Z,14Z)-8,9-epoxyicosatrienoyl]ethanolamine - + - - + + + + + - + - cephalosporin + N-[(5Z,8Z,14Z)-11,12-epoxyicosatrienoyl]ethanolamine - + - - - - cerebroside + + + + + + + + + + + + N-[(5Z,8Z,11Z)-14,15-epoxyicosatrienoyl]ethanolamine - + - - - - - chalcones + + + + + + + + + + + N-(20-hydroxyarachidonoyl)ethanolamine - + - - + + + + - + - chelate-forming peptide + + + + + + + 2-(glutathion-S-yl)-1,4-hydroquinone - + - - - N,N'-diacetylchitobioses + + + + 9-[(9Z)-octadecenoyloxy]octadecanoic acid - + - - - - - chitobiosyldiphosphodolichol + + + + + L-polyhomomethionine - + - - - - - - - - - - chloride salt + + + + L-dihomomethionine - + - - - - chlorohydrocarbon + + + + L-trihomomethionine - + - - - - - - - - - chlorine atom + + + C-terminal Xaa-Gly(1-) residue - + - - - - - - - - - chlorine molecular entity + + + C-terminal alpha-amino-acid amide residue - + - - - - chloroalkane + + + + L-tetrahomomethionine - + - - - - chlorobenzenes + + + C-terminal Xaa-hydroxyglycino(1-) residue - + - - - chlorobenzoate + + + + L-pentahomomethionine - + - - - - chlorobenzoic acid + + + + L-hexahomomethionine - + - - - - chlorobenzophenone + + + + N-hydroxy-L-polyhomomethionine - + - - - - chlorocatechol + + + + N,N-dihydroxy-L-polyhomomethionine - + - - - - - chloroethenes + + + 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)ethanolamine(1-) - + - - - - - chloromethanes + + + 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine(1-) - + - - - - chlorophenol + + + + + + + + + + + + + + + + 3-dehydro-scyllo-inosose - + - - - chlorophenoxyacetate anion + + + 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-arachidonoyl)ethanolamine(1-) - + - - - - - chlorophenoxyacetic acid + + + 1-(1Z-octadecenyl)-sn-glycero-3-phosphate(2-) - + - - - chlorophenylethane + + + + + + + + + 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid - + - - - chlorophenylmethane + + + + N-hydroxy-L-dihomomethionine - + - - - chloropropene + + + + N-hydroxy-L-trihomomethionine - + - - - glycerol 1-phosphate(2-) + + + + N-hydroxy-L-tetrahomomethionine - + - - - choline ester + + + + N-hydroxy-L-pentahomomethionine - + - - - cholines + + + + N-hydroxy-L-hexahomomethionine - + - - - - chromanol + + + + N,N-dihydroxy-L-dihomomethionine - + - - - chromanes + + + + N,N-dihydroxy-L-trihomomethionine - + - - - chromenes + + + + N,N-dihydroxy-L-tetrahomomethionine - + - - + + + + N,N-dihydroxy-L-pentahomomethionine + + + + + + + + + + + - - + + - chromium molecular entity + 19-hydroxy-5alpha-dihydrotestosterone - + - - - chromopeptide + + + + + + + + + + + + 19-oxo-5alpha-dihydrotestosterone - + - - - chromophore + + + + N,N-dihydroxy-L-hexahomomethionine - + - - - + + + + + - + - cineole - - - - - - - - - - cinnamate + 18-hydroxy-5alpha-dihydrotestosterone - + - - - - cinnamic acids + + + + 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA - + - - - citrullines + + + short chain fatty acyl-CoA(4-) - + - - - cobalamins + + + + + + + + + + + + + + + + quinine(1+) - + - - - cobalt cation + + + + + + + + + + + + + + + + + N-[(+)-7-isojasmonyl]-L-isoleucine - + - - - cobamides + + + + + + + + + + + + + N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine - + - - - coenzyme + + + + + + + + 6beta,16alpha,17alpha-trihydroxyprogesterone - + - - - cofactor + + + + 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA - + - - - compatible osmolytes + + + + + + + 16alpha,17alpha-dihydroxypregnenolone - + - - - molecular entity + + + + + + + + + acetoacetate - + - - - - copalyl diphosphate + + + + 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA - + - - + + + + + + - - + + - copper molecular entity + + + + + + + (24Z),26-hydroxydesmosterol - + - - - - copper cation + + + + + + + + + + + + + + + + + + cholesta-5,7-dien-3beta,25-diol - + - - - cobalt-corrinoid hexaamide + + + + + + + + + + + + cholesta-5,7-dien-3beta,24S-diol - + - - - corrins + + + + + + + + + + + 7-oxo-5alpha-cholestan-3beta-ol - + - - - coumarate + + + + + + + + + + + cholestanol 7alpha,8alpha-epoxide - + - - - coumaric acid + + + + + + 1beta-hydroxytestosterone - + - - - - coumarins + + + + + + + + + + + + + + + + 2beta-hydroxytestosterone - + - - - cumate + + + + 12-[(9Z)-octadecenoyloxy]octadecanoic acid - + - - - cumic acid + + + + 13-[(9Z)-octadecenoyloxy]octadecanoic acid - + - - - - - cutins + + + + 9-[(9Z)-hexadecenoyloxy]octadecanoic acid - + - - - pseudohalogen oxoacid + + + + 12-[(9Z)-hexadecenoyloxy]octadecanoic acid - + - - - cyanides + + + + 13-[(9Z)-hexadecenoyloxy]octadecanoic acid - + - - - - - - - - - - cyanogenic glycoside + + + + + 12-(octadecanoyloxy)octadecanoic acid - + - - - cyanohydrin + + + + 13-(octadecanoyloxy)octadecanoic acid - + - - - cyclic amide + + + + 9-(octadecanoyloxy)octadecanoic acid - + - - - - cyclic monoterpene ketone + + + + 5-[(9Z)-hexadecenoyloxy]octadecanoic acid - + - - - cyclic nucleotide + + + + 5-[(9Z)-octadecenoyloxy]octadecanoic acid - + - - - cyclic oligosaccharide + + + + 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA - + - - - cyclic peptide + + + + 5-dehydro-L-gluconate - + - - - - - cyclitol phosphate + + + (2xi)-3-deoxy-7-O-phospho-beta-D-threo-hept-6-ulopyranosonic acid - + - - - cyclitol + + + + + + + + + acetyl phosphate(1-) - + - - - - cycloalkane + + + + + 17beta-hydroxy-5alpha-estr-1(10)-en-3-one - + - - - - cyclodextrin + + + + + 5-hydroxy-(6E,8Z,11Z,14Z)-icosatetraenoyl-CoA - + - - - cyclodiene organochlorine insecticide + + + + + 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA - + - - - cyclohexanols + + + N-carbamoyl-L-methioninate - + - - - cyclohexanones + + + (S)-5-[2-(methylthio)ethyl]hydantoin - + - - - cyclohexenecarboxylic acid + + + + 1-O-acetylmaltose - + - - - cyclopentanes + + + + + 15-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl-CoA - + - - - - cyclopentanols + + + (R)-5-[2-(methylthio)ethyl]hydantoin - + - - - - cyclopropanecarboxylic acid + + + N-carbamoyl-D-methioninate - + - - - cystathionines + + + (4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoic acid - + - - - cysteine derivative + + + phosphatidylserine 36:3 - + - - - cytidine 5'-phosphate + + + phosphatidylserine(18:1/18:2) - + - - - - cytidine phosphate + + + (S)-6-acetamido-3-aminohexanoic acid zwitterion - + - - - cytidines + + + 16(R)-HETE(1-) - + - - - - - - - - - - - - - - - - - + + + 16(S)-HETE(1-) + + + + + + + + + alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) + + + + + + + + + alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) + + + + + + + + + + + + - + - cytochalasin B + prostaglandin E2 2-glyceryl ester - + - - - cytochalasin + + + UDP-2,3-diacyl-alpha-D-glucosamine(2-) - + - - - cytokinin + + + 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate - + - - - dTDP-sugar + + + N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc}-Asn residue - + - - - defoliant + + + (4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid - + - - - - deoxyadenosine phosphate + + + N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc}-Asn residue - + - - - - deoxycortisol + + + + 15(S)-HPETE 2-glyceryl ester - + - - - deoxycytidine phosphate + + + acetylsalicylate - + - - - deoxygalactose + + + (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid - + - - - deoxyglucose + + + 1-pyrroline-5-carboxylic acid - + - - - deoxyguanosine phosphate + + + N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc}-Asn residue - + - - - - deoxyhexose + + + + (E)-2-(indol-3-yl)-1-thioacetohydroximic acid - + - - - deoxyinosine phosphate + + + omega-[(methylsulfanyl)alkyl]glucosinolic acid - + - - - deoxyaldopentose phosphate + + + + omega-[(methylsulfinyl)alkyl]glucosinolic acid - + - - - deoxyribonucleoside + + + + + (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate - + - - - deoxy sugar + + + (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid - + - - - deoxyuridine phosphate + + + (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid - + - - - depsipeptide + + + + (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate - + - - - - - - - - - - - - - - - (+)-abscisic acid + + + + + + mycobilin a - + - - - dextrins + + + + + + mycobilin b - + - - - diamine + + + + biliverdin beta - + - - + + + - + - 2,6-diaminopimelate(2-) + biliverdin delta - + - - - - - - - - - 2,6-diaminopimelic acid + + + bacteriochlorophyllide e - + - - - diazole + + + 7,7-dihydroxybacteriochlorophyllide c - + - - - - - - - - - - dibenzothiophene + + + + (9Z,12Z)-11-hydroxyoctadecadienoic acid - + - - - - dibenzothiophenes + + + (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate - + - - - dicarboxylic acid amide + + + O-(alpha-D-mannosyl)-L-serine residue - + - - - dichlorobenzene + + + O-(alpha-D-mannosyl)-L-threonine residue - + - - - dideoxyhexose + + + + + epoxy(hydroxy)icosatrienoate - + - - - dihydrophenanthrenediol + + + + anaerobilin - + - - - dihydrofolic acids + + + + + + 8-amino-8-demethylriboflavin - + - - - - pyrroline + + + + + + 8-demethyl-8-(methylamino)riboflavin - + - - - - dihydroxy-5beta-cholanic acid + + + 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate - + - - - dihydroxybenzoic acid + + + + + + (R)-2-(phosphonomethyl)malic acid - + - - - dihydroxypyridine + + + + + + + + + + 7-HETE - + - - - + + + - + - ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate + 13-HETE - + - - - dimethylbenzimidazole + + + 5-hydroxymethyldeoxycytidine 5'-monophosphate residue - + - - - dimethylsilanediol + + + + pyridinium-3,5-biscarboxylate mononucleotide(3-) - + - - - diol + + + + 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3-) - + - - - - - - - - - - dibenzodioxine + + + S-[5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl]-L-cysteine(2-) residue - + - - - - disaccharide phosphate + + + S-[1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl]-L-cysteine(2-) residue - + - - - diterpenoid + + + 1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-) - + - - - dithiol + + + + + + 20-hydroxyprostaglandin E2 - + - - - - - - - - - dodecyl sulfate + + + + pyridinium-3,5-bisthiocarboxylate mononucleotide(3-) - + - - - - dolichol phosphate + + + Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-) - + - - - drug + + + long-chain fatty acyl-AMP - + - - - - - - - - - ecdysteroid + + + + (24S)-hydroxycholesterol 24-sulfate - + - - - icosanoid + + + thymidine 5'-monophosphate(1-) residue - + - - - - monoatomic anion + + + 4-O-methyl-dTMP(1-) residue - + - - - - monoatomic cation + + + + (24S)-hydroxycholesterol 3-sulfate - + - - - - enzyme inhibitor + + + (24S)-hydroxycholesterol 3,24-disulfate - + - - - - epoxy monocarboxylic acid + + + 19-hydroxyleukotriene B4(1-) - + - - - ergot alkaloid + + + 18-hydroxyleukotriene B4(1-) - + - - - erythromycins + + + + pyridinium-3,5-biscarboxylic acid mononucleotide - + - - - - - - - - - erythronolide + + + + + 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate - + - - - + + + + + 1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate + + + + + + + + + + + pyridinium-3,5-bisthiocarboxylic acid mononucleotide + + + + + + + + + + + Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide + + + + + + + + + 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine + + + + + + + + + - + @@ -24160,987 +18431,920 @@ - estradiol - - - - - - - - - estrane + + + + + + + 5-hydroxybenzimidazole - + - - - ethanolamines + + + (S)-2-halocarboxylic acid anion - + - - - ethanols + + + (R)-2-halocarboxylic acid anion - + - - - ethyl ester + + + + (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(2-) - + - - - ethylene releasers + + + + (13R)-glycinylcystein-S-yl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-) - + - - - farnesyl phosphate + + + L-sorbose 1-phosphate(2-) - + - - - fat-soluble vitamin + + + (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-) - + - - - - fatty alcohol + + + 1-hexadecanoyl-2-[(11Z,14Z,17Z)-icosatrienoyl]-sn-glycero-3-phosphocholine - + - - - fatty-acyl group + + + cholesteryl (11Z,14Z,17Z)-icosatrienoate - + - - - iron(3+) chelator + + + + secondary ammonium ion - + - - - - - ferulic acids + + + N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) - + - - - - - - - - - - - flavin adenine dinucleotide + + + (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid - + - - - - - - - - - - - flavin mononucleotide + + + + + + (S)-3,4-dihydroxy-2-oxobutanoic acid - + - - - flavones + + + 9,10-epoxy-18-hydroxyoctadecanoate - + - - - - - - - - - fluorine atom + + + (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate - + - - - - - - - - - fluorine molecular entity + + + (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate - + - - - - fluoroalkane + + + (9R,10S)-9,10-epoxyoctadecanoate - + - - - formamides + + + (9S,10R)-epoxyoctadecanoate - + - - - formyltetrahydrofolic acid + + + 2,6-O-bis(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol - + - - - fructosamine + + + + 9,10-epoxy-18-hydroxy-(12Z)-octadecenoate - + - - - - - - - - - - - fructosylglycine + + + + 12,13-epoxy-18-hydroxy-(9Z)-octadecenoate - + - - - - - - - - - - fructosyllysine + + + + + + 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoate - + - - - - fungicide + + + + + + 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoate - + - - - - furans + + + + + + 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoate - + - - - galactoglucomannan + + + 4-saturated-(3S)-hydroxyacyl-CoA(4-) - + - - - galactonate + + + 2-O-(alpha-D-mannopyranosyl)-6-O-(6-acyl-alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol - + - - + + + + + + + - + - galactonic acid + (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine - + - - - galactooligosaccharide + + + + + + (R)-3,4-dihydroxy-2-oxobutanoic acid - + - - - galactosamine + + + (2R,5S)-2,5-diammoniohexanoate - + - - - galactosaminoglycan + + + + + + + 16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) - + - - - galactosaminyl group + + + + + + + 16alpha-hydroxyestrone 16-O-(beta-D-glucuronide) - + - - - galactoside + + + + + + 17alpha-estradiol 17-O-(beta-D-glucuronide) - + - - - galacturonan + + + + + + epitestosterone 17-O-(beta-D-glucuronide) - + - - - galacturonate + + + 13(S)-HETE - + - - - - - 3,7-dimethylocta-2,6-dien-1-ol + + + 13(R)-HODE - + - - - - - - - - - - - - - - - - - - - - - - geranylgeraniol + + + + + + + 7-oxoresolvin D2(1-) - + - - - - - - - - - - gibberellin + + + + + + + 16-oxoresolvin D2(1-) - + - - - glucocorticoid + + + + + (S)-2,4-dihydroxy-3-oxobutanoic acid - + - - - gluconate + + + TRPA1 channel agonist - + - - - gluconic acid + + + + + + + + + + + + + + + + + (+)-isoafricanol - + - - - glucooligosaccharide + + + + + (-)-spiroviolene - + - - - glucosamine phosphate + + + CDP-D-ribulose(2-) - + - - - glucosamines + + + CDP-D-ribose(2-) - + - - - glucosaminyl group - - - - - - - - - glucoside - - - - - - - - - - - - - - - glucosinolate - - - - - - - - - - glucosylglycerol - - - - - - - - - glucuronate - - - - - - - - - - - - - - + + + + + - + - glucuronic acid + 20-hydroxyprostaglandin E1 - + - - - - glucosiduronic acid + + + + + tsukubadiene - + - - - glutamic acid derivative + + + + + + 20-hydroxyprostaglandin A1 - + - - - - - L-glutamine derivative + + + + + (2S,3R,6S,9S)-(-)-protoillud-7-ene - + - - - - glutamine family amino acid + + + + + (3S)-(+)-asterisca-2(9),6-diene - + - - - EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor + + + 3-oxochenodeoxycholoyl-CoA - + - - - glutarate + + + + + + + + + + (-)-alpha-amorphene - + - - - - - glutathione derivative + + + 3-oxocholoyl-CoA - + - - - phosphoglyceric acid + + + + + (+)-corvol ether A - + - - - glycerates + + + + + (+)-corvol ether B - + - - - glycerol ether + + + 3-oxodeoxycholoyl-CoA - + - - - - glycerone phosphates + + + 3-oxocholan-24-oyl-CoA - + - - - - glycerone derivative + + + N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl-L-threonine residue - + - - - glycerophosphoglycerols + + + + N-propanoyl-L-methionine - + - - - glycine cholesterol esters + + + (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoate - + - - - glycine derivative + + + (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate - + - - - glycogens + + + + bis(hydroperoxy)icosatetraenoate - + - - - glycoglycerolipid + + + + + + + + + + + + + + + + pivaloyl-CoA - + - - - - glycopeptide + + + (5S)-hydroxy-(15S)-hydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate - + - - - - glycophospholipid + + + (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate - + - - - glycosaminyl group + + + + + + hydroperoxy(hydroxy)icosatetraenoate - + - - - glycoside + + + + N-(fatty acyl)-L-alpha-amino acid - + - - - glycosinolate + + + + + + 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid - + - - - - glycosphingolipid + + + + + 2-O-[alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid - + - - - glycosyl group + + + + + (+)-eremophilene - + - - - glycosylglucose + + + + + (1R,4R,5S)-(-)-guaia-6,10(14)-diene - + - - - glycosylglycerol + + + + (+)-(1(10)E,4E,6S,7R)-germacradien-6-ol - + - - - glycosyl glycoside + + + + + + + + + + + (3E,7E)-dolabella-3,7-dien-18-ol - + - - - glycosylphosphatidylinositolethanolamine + + + EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor - + - - - - - glycosylphosphatidylinositol + + + 11(S)-HETE(1-) - + - - chemical entity + + + Cer(d34:0) - + - - - biological role + + + Cer(d34:1) - + - - - - - - - - - group + + + n-alk-2-enal - + - - - guanidines + + + Cer(d38:1) - + - - - - - guanosine phosphate + + + Cer(d41:1) - + - - - guanosines + + + Cer(d44:0) - + - - - haloalkane + + + 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl]-sn-glycero-3-phosphoethanolamine zwitterion - + - - - haloamino acid + + + 2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphoethanolamine zwitterion - + - - + + - - + + - halogen molecular entity - - - - - - - - - halohydrocarbon - - - - - - - - - - halogen - - - - - - - - - - + - heme a + 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl]-sn-glycero-3-phosphocholine - + - - - - - - - + + - + - + - actinorhodin + 2-[(15R)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-sn-glycero-3-phosphocholine - + - - + + @@ -25150,8396 +19354,8185 @@ - - - - - - - + - heme o - - - - - - - - - - heparan sulfate proteoglycan - - - - - - - - - heparan - - - - - - - - - - heparins - - - - - - - - - herbicide + 2-[(15S)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-sn-glycero-3-phosphocholine - + - - + + + - + - heterocyclic antibiotic + + + + + + + 2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine - + - - - - - organic heterocyclic compound + + + + + alkyl,acylglyceride - + - - - heterodetic cyclic peptide + + + alkylamine - + - - - hexachlorocyclohexane + + + + + (2E,4Z)-deca-2,4-dienoyl-CoA(4-) - + - - - - - - hexadecenoic acid + + + + + N-acetyl-alpha-D-muramate 1-phosphate(3-) - + - - - hexaric acid anion + + + + 4-aminosalicylate(1-) - + - - - hexaric acid + + + + long-chain 3-oxo-fatty acyl-CoA - + - - - - hexenoic acid + + + + 2-hydroxy-7,8-dihydropteroate - + - - - hexitol + + + EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor - + - - - hexosamine phosphate + + + + + long-chain (3S)-hydroxy fatty acyl-CoA - + - - - hexosamine + + + (22E)-3-oxochola-4,22-dien-24-oyl-CoA - + - - - hexuronate + + + + + short-chain (3S)-hydroxy fatty acyl-CoA - + - - - hexuronic acid + + + + + N-acetyl-L-alpha-phenylglycine - + - - - histidine derivative + + + allocholate - + - - - homocysteines + + + allodeoxycholate - + - - - homodetic cyclic peptide + + + allocholoyl-CoA(4-) - + - - - homoserine derivative + + + allodeoxycholoyl-CoA(4-) - + - - - - hormone + + + 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol - + - - - imidazolidine-2,4-dione + + + beta-muricholoyl-CoA(4-) - + - - - hydrocarbon + + + + + S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine - + - - - - proton + + + + + + S-[(E)-N-hydroxy-2-(indol-3-yl)ethanimidoyl]-L-cysteinylglycine - + - - - - - - - - + + + + 3-sulfinatopropionate + + + + + + + + + - + - dUMP(2-) + benzyl thiol - + - - - - - HPETE + + + + thiobenzaldehyde - + - - - hydroquinones + + + + + + Cys(IAN)-Gly - + - - - - hydroxamic acid anion + + + + glycolaldehyde triphosphate - + - - - hydroxamic acid + + + + nickel-sirohydrochlorin - + - - - - - - - - - - - hydroxides + + + ursodeoxycholoyl-CoA(4-) - + - - - - hydroxy fatty acid + + + Papio hamadryas metabolite - + - - - - hydroxy-L-lysine + + + + + (24S)-hydroxycholestanol - + - - - hydroxy-amino acid + + + + + (25R)-26-hydroxycholestanol - + - - - - hydroxy-5beta-cholanic acid + + + aminohydroquinone - + - - - - hydroxy carboxylic acid + + + + nickel-sirohydrochlorin a,c-diamide - + - - - - hydroxybenzoate + + + + + + + + + + 15,17(3)-seco-F430-17(3)-acid - + - - - - hydroxybenzoic acid + + + + 3-carboxy-3-hydroxypropanoyl-CoA - + - - - - - hydroxybenzoyl-CoA + + + + 17-epiestriol 3-O-(beta-D-glucuronide) - + - - - - hydroxybenzyl alcohol + + + + 17-epiestriol 17-O-(beta-D-glucuronide) - + - - - - secondary alpha-hydroxy ketone + + + + 17-epiestriol 16-O-(beta-D-glucuronide) - + - - - hydroxybutyric acid + + + + 16-epiestriol 3-O-(beta-D-glucuronide) - + - - - monohydroxycinnamic acid + + + + 16-epiestriol 16-O-(beta-D-glucuronide) - + - - - hydroxycinnamic acid + + + + 7-oxotaurolithocholate - + - - - - hydroxyflavone + + + 5-formyl-dCMP(1-) residue - + - - - hydroxylamines + + + 5-carboxy-dCMP(2-) residue - + - - - hydroxymethyl group + + + UDP-3-O-[(3R)-hydroxyacyl]-alpha-D-glucosamine(1-) - + - - - hydroxynitrile + + + UDP-2-N,3-O-bis[(3R)-3-hydroxyacyl]-alpha-D-glucosamine(2-) - + - - - - hydroxyphenylalanine + + + 7,12-dioxolithocholate - + - - - - hydroxypyridine + + + + + + + + + + + chenodeoxycholic acid 24-O-(beta-D-glucuronide) - + - - - - hydroxytoluene + + + + + + + + + + + cholic acid 24-O-(beta-D-glucuronide) - + - - - + + + - + - + + 2,5,6-triamino-4-hydroxypyrimidine + + + + + + + + + + - + - hypochlorous acid + deoxycholic acid 24-O-(beta-D-glucuronide) - + - - - imidazoles + + + + + + + + + + + lithocholic acid 24-O-(beta-D-glucuronide) - + - - - imide + + + phenolic radical - + - - - indolylmethylglucosinolate + + + + + + + + + + + hyodeoxycholic acid 24-O-(beta-D-glucuronide) - + - - + + + + - + - indole phytoalexin + hyocholic acid 24-O-(beta-D-glucuronide) - + - - - indole-3-acetic acids + + + + 7-oxoglycolithocholate - + - - - indol-3-yl carboxylic acid + + + + 7-oxotaurodeoxycholate - + - - - - - - - - + + + + - + - indole-3-methanol - - - - - - - - - - indolyl carbohydrate - - - - - - - - - indoles + hyodeoxycholic acid 6-O-(beta-D-glucuronide) - + - - - indolones + + + + 7-oxoglycodeoxycholate - + - - + + + + - + - oxoacid + hyocholic acid 6-O-(beta-D-glucuronide) - + - - - - inorganic anion + + + + + + 2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) - + - - - inorganic molecular entity + + + phosphatidylcholine 14:0 - + - - - - inorganic oxide + + + + + 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide] - + - - - - inorganic peroxide + + + ursocholate - + - - - - inorganic phosphate + + + 3,7,12-trioxo-5beta-cholan-24-oate - + - - - - inorganic salt + + + 7beta-hydroxy-3,12-dioxo-5beta-cholanate - + - - - inosine phosphate + + + 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanate - + - - - inosines + + + + N-acetylarylamine - + - - - inositol phosphate + + + + + + 2-hydroxy-17beta-estradiol 2-O-(beta-D-glucuronide) - + - - - - inositol + + + + + + 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) - + - - - insecticide + + + + + + 4-hydroxy-17beta-estradiol 4-O-(beta-D-glucuronide) - + - - - intercalator + + + N-hydroxyarylamine - + - - + + + + - + - + - iodine atom + lithocholic acid 3-O-(beta-D-glucuronide) - + - - - - - - - - - iodine molecular entity + + + 5'-end ribonucleotide(1-) residue - + - - - - iodoamino acid + + + + + + 2-hydroxyestrone 3-O-(beta-D-glucuronide) - + - - - - iodophenol + + + + CDP-alpha-D-glucose(2-) - + - - - - iodothyronine + + + + TDP-alpha-D-glucose(2-) - + - - + + + - - + + - - + + - salt + 5-dehydro-L-gluconic acid - + - - - - monoatomic ion + + + N(4)-methyl-dCMP(1-) residue - + - - - organic salt + + + polyprenal - + - - - ionophore + + + S-polyprenyl-L-cysteine zwitterion - + - - - ion + + + + beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide - + - - - - - - - - - iron molecular entity + + + alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminide(2-) - + - - - iron ionophore + + + + N-carbamoyl-L-methionine - + - - - - iron cation + + + + N-carbamoyl-D-methionine - + - - - isoindoles + + + O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-serine residue - + - - - - - - - - - - - - - - - isoleucine + + + O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-threonine residue - + - - - - isoprenoid + + + UDP-2,3-diacyl-alpha-D-glucosamine - + - - - isoquinoline alkaloid + + + N(6)-[(E)-but-2-enoyl]-L-lysine residue - + - - - - isoquinolines + + + N(6)-butyryl-L-lysine residue - + - - - isoquinolinol + + + S-polyprenyl-L-cysteine - + - - - - isothiocyanic acid + + + + + + 4-hydroxyestrone 3-O-(beta-D-glucuronide) - + - - - jasmonates - + + + + + + 4-hydroxyestrone 4-O-(beta-D-glucuronide) + - + - - + + + + + + 4-methoxyestrone 3-O-(beta-D-glucuronide) + + + + + + + + + + + + 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) + + + + + + + + + N(6)-acyl-L-lysine residue + + + + + + + + + S-acetyl-O-[2'-(5-phosphoribosyl)-3'-dephospho-CoA]-L-serine(3-) residue + + + + + + + + + metalloid atom + + + + + + + + + 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium + + + + + + + + + tertiary ammonium ion + + + + + + + + + methylated tertiary amine + + + + + + + + + methylated secondary ammonium ion + + + + + + + + + (beta-Asp-Arg)n zwitterion + + + + + + + + + 19-hydroxyprostaglandin I2(1-) + + + + + + + + + (beta-Asp-Arg)n-Asp(1-) + + + + + + + + + beta-Asp-Arg zwitterion + + + + + + + + + + + - + + (2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone + + + + + + + + + + - + - juvenile hormone + 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone - + - - - - kanamycins + + + O-[S-(gamma-L-glutamyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - keto-disaccharide + + + O-[S-4-(aminobutanoyl)pantetheine-4'-phosphoryl]serine zwitterionic residue - + - - - - ketoaldehyde + + + O-{S-[4-(gamma-L-glutamylamino)butanoyl]pantetheine-4'-phosphoryl}serine(1-) residue - + - - - ketoaldonate + + + O-[S-4-(gamma-L-glutamylamino)-(2S)-2-hydroxybutanoylpantetheine-4'-phosphoryl]serine(1-) residue - + - - - - ketoaldonic acid + + + + + 3-(1-methylpyrrolidin-2-yl)pyridine - + - - - keto-D-gluconate + + + N-acetyl-alpha-D-hexosamine 1-phosphate(2-) - + - - - ketogluconic acid + + + 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside(1-) - + - - - ketohexose bisphosphate + + + endocrine disruptor - + - - - ketohexose monophosphate + + + N(6)-propanoyl-L-lysine residue - + - - - - ketohexose phosphate + + + alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol - + - - - - ketohexose + + + (3S)-3-hydroxy-L-histidine residue - + - - - - ketopentose phosphate + + + + alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - - ketopentose + + + + N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - ketose + + + + + + + + + + 5alpha-dihydrotestosterone sulfate - + - - - - ketotriose + + + + N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - - - lactam + + + 14alpha-methyl steroid - + - - - - - - - - - - - - - - - lactate + + + Delta(14) steroid - + - - - - - lactone + + + + (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate - + - - - - lead atom + + + dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose(2-) - + - - - - - - - - - - - - - - - - leucine + + + S-mycothiol-L-cysteine residue - + - - - leukotriene + + + + + 10-epi-juneol - + - - - lignan + + + + + + + + + + + (3E,7E)-dolathalia-3,7,11-triene - + - - - - + + + + - + - + - aflatoxin B1 + 7-epi-alpha-eudesmol - + - - - linear tetrapyrrole + + + + + (+)-4-epi-cubebol - + - - - - + + + + + - + - linolenic acid - - - - - - - - - - lipid As + + + + + + + tau-cadinol - + - - - + + + - - + + - + - lysine + (2E,6E)-hedycaryol - + - - - - L-lysine derivative + + + + (2Z,6E)-hedycaryol - + - - - lyxose + + + + + (-)-10-epi-cubebol - + - - + + + + + sesterfisherol + + + + + + + + + - + - macrolide antibiotic + beta-thujene - + - - - - macrolide + + + + + + + + + + + stellata-2,6,19-triene - + - - + + + + - + - magnesium atom + guaia-4,6-diene - + - - + + + + - - + + - magnesium molecular entity + pseudolaratriene - + - - - - magnesium porphyrin + + + + + + + + + + + selina-4(15),7(11)-diene - + - - - malate + + + (3S)-3,4-dihydroxy-L-proline residue - + - - - malonyl-CoAs + + + 5-methoxycarbonylmethoxyuridine(1-) residue - + - - - maltodextrin + + + 7-deaza-7-carbamidoylguanosine 5'-monophosphate zwitterion residue - + - - - mandelate + + + + + + + + + + + + + + + + 2,4,5-trihydroxyphenylacetic acid - + - - - - - - prunasin + + + 2,4,5-trihydroxyphenylacetate - + - - - - - - - - - manganese molecular entity + + + N-terminal L-alanyl-L-prolyl-L-lysyl(2+) residue - + - - - - manganese cation + + + N-terminal N-methyl-L-alanyl-L-prolyl-L-lysyl(2+) residue - + - - - mannosamine + + + N-terminal L-prolyl-L-prolyl-L-lysyl(2+) residue - + - - - - mannosylinositol phosphorylceramide + + + N-terminal N-methyl-L-prolyl-L-prolyl-L-lysyl(2+) residue - + - - - mannoside + + + N-terminal L-seryl-L-prolyl-L-lysyl(2+) residue - + - - + + + N-terminal N-methyl-L-seryl-L-prolyl-L-lysyl(2+) residue + + + + + + + + + + + + - + - melanins + coelenterazine h dioxetanone - + - - - menaquinones + + + N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-L-threonine residue - + - - - p-menthane monoterpenoid + + + ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) - + - - - - - - - - - - p-menthan-3-ol + + + 5-formyl CMP(1-) residue - + - - - - - 1,4-dimercaptobutane-2,3-diol + + + + + 1,1'-dihydroxyneurosporene - + - - - mercury atom + + + + + + + + + + chloroxanthin - + - - - - - - - - - mercury molecular entity + + + 5'-(N(2),N(7)-dimethyl 5'-triphosphoguanosine)-(purine ribonucleotide)(2-) residue - + - - - - mercury cation + + + 5'-(N(2),N(2),N(7)-trimethyl 5'-triphosphoguanosine)-(purine ribonucleotide)(2-) residue - + - - - metabolite + + + O-acyl-ADP-D-ribose(2-) - + - - - - metal cation + + + long chain primary alcohol - + - - - - - - - - - metal-sulfur cluster + + + 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine - + - - - - - metalloporphyrin + + + N-acyl-aromatic L-alpha-amino-acid anion - + - - - - methanesulfonate ester + + + 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)ethanolamine - + - - - methanesulfonate + + + 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine - + - - - - methionine derivative + + + 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-arachidonoyl)ethanolamine - + - - - monomethoxybenzene + + + 1-(1Z-octadecenyl)-sn-glycero-3-phosphate - + - - - methyl ester + + + 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion - + - - - methyl halides + + + 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion - + - - - - - - - - + + + + - + - + + 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine + + + + + + + + + + - + - + - methyl methanesulfonate + 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine - + - - - - methyl D-galactoside + + + 4-(ADP-D-ribosyl)-L-aspartyl(2-) residue - + - - - methyl-L-methionine + + + inorganic acid - + - - - methyl-branched fatty acyl-CoA + + + + + + + + + (S)-6-acetamido-3-aminohexanoic acid - + - - - methylamines + + + + (3S)-3-hydroxy-L-asparagine residue - + - - - methylbenzoic acid + + + alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol - + - - - - methylbutanoyl-CoA + + + + + + + + + + + + + + + 16(S)-HETE - + - - - methyl glycoside + + + (3S)-3-hydroxy-L-aspartate residue - + - - - methylguanosine + + + chondroitin 4',6'-disulfate anion - + - - - methylmercury compound + + + O-adenyl-L-threonine(1-) residue - + - - - methylpyridines + + + O-guanylyl-L-tyrosine(1-) residue - + - - - methyluridine + + + dermatan 4',6'-disulfate anion - + - - - methylxanthine + + + Delta(7)-sterol - + - - - mevalonate + + + Delta(5),Delta(7)-sterol - + - - + + - + - mevalonic acid + (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid - + - - - mineralocorticoid + + + + + + + epoxy(hydroxy)icosatrienoic acid - + - - - mitochondrial respiratory-chain inhibitor + + + 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion - + - - - - - - - - - - - - - - - - - mitomycin + + + 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion - + - - - - elemental molecule + + + + 17alpha-hydroxy-C21-steroid - + - - - molecule + + + + 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine zwitterion - + - - - - - - - - - molybdenum molecular entity + + + + 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid - + - - - molybdic acid + + + 3'-end deoxyribonucleotide 3'-phosphate(3-) residue - + - - + + + 3'-end deoxyribonucleotide(1-) residue + + + + + + + + + D-tagatopyranose 1-phosphate(2-) + + + + + + + + + + + - + - molybdopterin cofactor + (+)-(2S,3R,9R)-pristinol - + - - + + + + + - + - monoamine molecular messenger + + + + + + + + + + + + + nezukol - + - - - monocarboxylic acid + + + + + 5-hydroxy-alpha-gurjunene - + - - - monohydroxybenzoate + + + pApA(3-) - + - - - monohydroxybenzoic acid + + + O-[S-(L-alpha-aminoacyl)pantetheine-4'-phosphoryl]serine zwitterionic residue - + - - - - cresol + + + (2R,3S,4S)-leucoanthocyanidin - + - - - monoterpene ketone + + + 4-unsubstituted 3-hydroxyanthocyanidin betaine - + - - - monoterpenoid + + + (4S)-2,3-dehydroflavan-3,4-diol(1-) - + - - - monounsaturated fatty acid + + + + (2R,3R)-dihydroflavonol - + - - - monoatomic monocation + + + 3'-end 3'-(N-acyl-L-alpha-aminoacyl)adenylyl(1-) residue - + - - - morphinane alkaloid + + + (2R,5S)-2,5-diaminohexanoic acid - + - - - + + - + - mugineic acids + 1,2-dihexanoyl-sn-glycero-3-phosphocholine - + - - - monoatomic polycation + + + + + + + + + 1,2-diheptanoyl-sn-glycero-3-phosphocholine - + - - - - muramic acids + + + + + + + + + + + + + + + + + + + 19-hydroxyleukotriene B4 - + - - - mutagen + + + + 1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine - + - - - mycolates + + + 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine - + - - - mycolic acid + + + 1-hexadecanoyl-2-heptanoyl-sn-glycero-3-phosphocholine - + - - - - mycothiols + + + 1-heptanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine - + - - - - mycotoxin + + + + + + + + + + + + + 18-hydroxyleukotriene B4 - + - - - myo-inositol hexakisphosphates + + + + + + + + + + + + + (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid - + - - - myo-inositol phosphate + + + + + + + + + + + + + (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid - + - - - myo-inositol tetrakisphosphate + + + carotenoid biosynthesis inhibitor - + - - - myo-inositol trisphosphate + + + + + + + + + + + + + (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid - + - - - - naphthalenes + + + 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine - + - - - naphthalenesulfonate + + + 1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine - + - - - naphthoquinone + + + 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion - + - - - nematicide + + + 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion - + - - - neopterins + + + 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion - + - - - - neoxanthin - - + + + + + + + + + + + ent-atiserene + + - + - - - neuraminates + + + N-hexadecanoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1-) - + - - - - neuraminic acids + + + + CDP-D-ribulose - + - - - neurotransmitter + + + N-oleoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1-) - + - - - neutral glycosphingolipid + + + ent-copal-8-ol diphosphate(3-) - + - - - - nickel cation + + + + + + + + + + + + + + + + + + + + + + + + (13R)-epi-8,13-epoxylabd-14-ene - + - - - nickel tetrapyrrole + + + CDP-D-ribose - + - - - nicotianamine + + + + + + + + + + beta-geranylfarnesene - + - - - NADP + + + + + + + + + + beta-hexaprene - + - - + + + - + - NAD(P) + beta-heptaprene - + - - - N-glycosylnicotinamide + + + + N-acetyl-alpha-D-muramic acid 1-phosphate - + - - - nicotinamide nucleotide + + + peregrinol diphosphate(3-) - + - - - - pyridinecarboxamide + + + + + + + + + + + 9,13-epoxylabda-14-ene - + - - - nicotinic acid nucleotide + + + + + + + + + + + + (13R)-manoyl oxide - + - - - - - neonicotinoid insectide + + + pyrimidine ribonucleoside 5'-monophosphate(2-) - + - - - - nitrilotriacetate(3-) + + + N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine - + - - - + + + + - + - nitrogen atom + cycloaraneosene - + - - - - organonitrogen heterocyclic antibiotic + + + (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid - + - - - nitroglycerol + + + + N-(4-oxoglutaryl)-L-cysteinylglycine(2-) - + - - - - nitrophenol + + + (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid - + - - - - nitrotoluene + + + (9R,10S)-9,10-epoxyoctadecanoic acid - + - - - nitrous acid + + + very long-chain fatty acyl-CoA(4-) - + - - - nonmetal atom + + + (9S,10R)-epoxyoctadecanoic acid - + - - - aldohexose 6-phosphate + + + + + 9,10-epoxy-18-hydroxy-(12Z)-octadecenoic acid - + - - - - nucleotide-(amino alcohol)s + + + 2-heptanoyl-sn-glycero-3-phosphocholine - + - - - nucleoside antibiotic + + + + hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion - + - - - - - nucleoside phosphate + + + D-xylulose 1,5-bisphosphate(4-) - + - - - - nucleotide-sugar + + + + 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine(1-) - + - - - - - - - - - nylons + + + + + 12,13-epoxy-18-hydroxy-(9Z)-octadecenoic acid - + - - - orthoquinones + + + + 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoic acid - + - - - - - - - - - - octadecadienoate + + + + 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoic acid - + - - - - - - octadecadienoic acid + + + + 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoic acid - + - - - - - - - - - - - + + + oxidized Renilla luciferin(1-) + + + + + + + + + 5'-end purine ribonucleotide 5'-diphosphate(3-) residue + + + + + + + + + + 5'-end GTP-ribonucleotide(5-) residue + + + + + + + + + + + + + - + + 7-oxoresolvin D2 + + + + + + + + + adenosine-5'-diphospho-5'-ribonucleotide(2-) residue + + + + + + + + + + + + + + - + - octadecanoate + 16-oxoresolvin D2 - + - - - - - octadecatrienoic acid + + + 5'-end ribonucleotide(2-) residue - + - - - - - octadecenoic acid + + + 5'-end ribonucleoside residue - + - - - - octadienol + + + N-terminal N,N-dimethyl-L-alanyl-L-prolyl-L-lysyl(2+) residue - + - - - - octamethylcyclotetrasiloxane + + + 5'-end purine ribonucleotide 5'-triphosphate(4-) residue - + - - - + + + 2-hydroxyoctanoyl-CoA(4-) + + + + + + + + - + - + - octanoate + + + + + + + (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid - + - - - oligopeptide + + + 2-hydroxydecanoyl-CoA(4-) - + - + + + - - - - - - - - - - - - - - - - - - - - - - - - - - omega-3 fatty acid + + + bis(hydroperoxy)icosatetraenoic acid - + - - - - - - - - - - ommochrome + + + N(epsilon)-(5'-guanylyl)-L-lysine(1-) residue - + - - - - organic heteromonocyclic compound + + + (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid - + - - - - organic anion + + + + 2-hydroxyisovaleryl-CoA(4-) - + - - - - organic cation + + + 2-hydroxyheptadecanoyl-CoA(4-) - + - - - ether + + + 2-hydroxyicosanoyl-CoA(4-) - + - - - - organic ion + + + 2-hydroxydodecanoyl-CoA(4-) - + - - - - organic oxide + + + 2-hydroxytetradecanoyl-CoA(4-) - + - - - - organic peroxide + + + labda-7,13(16),14-triene - + - - - - - organic phosphate + + + (12E)-labda-8(17),12,14-triene - + - - - - organic sulfate + + + + + + + + + + + + alpha-onocerin - + - - + + + + + + - + - organochlorine insecticide + (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3beta-ol - + - - - - organomercury compound + + + + aromatic (S)-hydroxynitrile - + - - - organometallic compound + + + + + + + + + + (3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene - + - - - aliphatic alcohol + + + C-terminal L-alpha-amino-acid-L-tyrosinate residue - + - - - - organophosphorus compound + + + (-)-kolavenyl diphosphate(3-) - + - - - - - - - - - organophosphorus insecticide + + + (+)-kolavenyl diphosphate(3-) - + - - - - organoselenium compound + + + + + (+)-kolavelool - + - - - - organosilicon compound + + + + + + + + + + + + + + + S-allylsulfenic acid - + - - - organothiophosphate insecticide + + + N-terminal N,N,N-trimethyl-L-alanyl-L-prolyl-L-lysyl(2+) residue - + - - - - organothiophosphorus compound + + + N-terminal N,N-dimethyl-L-seryl-L-prolyl-L-lysyl(2+) residue - + - - - - organotin compound + + + N-terminal N,N,N-trimethyl-L-seryl-L-prolyl-L-lysyl(2+) residue - + - - - osmolyte + + + N-terminal N,N-dimethyl-L-prolyl-L-prolyl-L-lysyl(2+) residue - + - - - - oxide + + + monoalk-1-enyl-sn-glycero-3-phosphoethanolamine - + - - - - oxime + + + monoalkyl-sn-glycero-3-phosphoethanolamine - + - - - oxo carboxylic acid + + + O-[S-(4-hydroxybenzoyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - unsaturated fatty acid anion + + + + (5S)-hydroxy-(15S)-hydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid - + - - - + + + + + (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid + + + + + + + + + + + - + - oxygen atom + hydroperoxy(hydroxy)icosatetraenoic acid - + - - - - - - - - - oxygen molecular entity + + + L-firefly luciferyl-CoA(3-) - + - - - organooxygen heterocyclic antibiotic + + + ent-Photinus luciferin(1-) - + - - - oxopurine + + + + + pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ozone + + + cholesteryl icosatrienoate - + - - + + - + - p-cumate + 11(S)-HETE - + - - - - p-menthane + + + + N(tele)-(N(7)-methylguanosine 5'-phosphonato)-L-histidine zwitterion residue - + - - - p-quinones + + + 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl]-sn-glycero-3-phosphoethanolamine - + - - - pantetheines + + + (2R,3S)-2-alkyl-3-hydroxyalkanoate - + - - - - - - - - - - - - - - - - pantothenic acids + + + (R)-2-alkyl-3-oxoalkanoate - + - - - - - - - - - pelargonidin + + + triacylglycerol 54:9 - + - - - - penicillanic acids + + + triacylglycerol 54:0 - + - - - - pentacyclic triterpenoid + + + 4-sulfanylbutanoate - + - - - pentaerythritol nitrate + + + 4,4'-disulfanyldibutanoate - + - - + + + - + - + - pentaerythritol tetranitrate + 2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphoethanolamine - + - - - Alkylated DNA + + + (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one - + - - - pentahydroxyflavone + + + (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one - + - - - - pentitol phosphate + + + + allo-bile acid - + - - - pentitol + + + + + bile acids - + - - - - aldopentose phosphate + + + [4)-beta-D-GlcA-(1->4)-beta-D-GlcA2(or 3)Ac-(1->4)-beta-D-Glc-(1->4)-[(R)-4,6-CH3(COO(-))C-beta-D-Gal3(or 2)OHb-(1->3)-beta-D-Glc-(1->4)-beta-D-Glc-(1->4)-beta-D-Glc-(1->6)]-alpha-DGlc2(or 3)Ac-(1->]n - + - - - pentose + + + N(6)-(gamma-glutamyl)lysine residue - + - - - - - - - - - peptide antibiotic + + + + beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - - - - - - - peptide hormone + + + + beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide - + - - - - peptidyl-1-thioglycine + + + + 4-methylpent-3-en-1-yl acetate - + - - - peptidyl-amino acid + + + N-(12-hydroxyjasmonyl)-L-alpha-amino acid anion - + - - - - peptidyl-glycine cholesteryl ester + + + + (1E)-2,6-dimethylhepta-1,5-dien-1-yl formate - + - - - - peptidyl-glycine + + + allocholoyl-CoA - + - - - - - - - - - peroxides + + + allodeoxycholoyl-CoA - + - - - pesticide + + + beta-muricholoyl-CoA - + - - - - - - - - - - phenanthrenes + + + ursodeoxycholoyl-CoA - + - - - phenoxazine + + + (4S,7R)-7-isopropyl-4-methyloxepan-2-one - + - - - phenylacetaldehydes + + + + + + 7-oxotaurolithocholic acid - + - - - phenylalanine derivative + + + N(omega)-(2'-phospho-ADP-D-ribosyl)-L-arginine(3-) residue - + - - - phenylethanolamines + + + TDP-alpha-D-glucose - + - - - phenylpropanoid + + + + + + + + + + 4-methylpent-3-en-1-ol - + - - - phenylpyruvate + + + + + + + + + + + + + + 7,12-dioxolithocholic acid - + - - - pheromone + + + EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor - + - - - phosphate + + + + + 7-oxoglycolithocholic acid - + - - - phosphatidylinositol 3-phosphate + + + + + + + 7-oxotaurodeoxycholic acid - + - - - phosphatidylinositol monophosphate + + + + + + 7-oxoglycodeoxycholic acid - + - - - phosphinic acids + + + OPC8-CoA (4-) - + - - - phosphite ion + + + octahydronaphthalenes - + - - - phosphoamino acid + + + (15Z)-12-oxophyto-10,15-dienoyl-CoA(4-) - + - - - - - phosphoglycosphingolipid + + + + + + 7beta-hydroxy-3,12-dioxo-5beta-cholanic acid - + - - - phosphonate + + + + 4-sulfanylbutanoic acid - + - - - phosphonic acids + + + + + + 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid - + - - - - phosphopantetheine + + + + 4,4'-disulfanyldibutanoic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - phosphoric acid + + + O-[S-(2E,9Z)-hexadecadienoylpantetheine-4'-phosphoryl]-L-serine(1-) residue - + - - - phosphoric acid derivative + + + + (E)-hex-4-enoyl-CoA(4-) - + - - - - - - - - - phosphorus molecular entity + + + O-(S-(7Z)-tetradecenoylpantetheine-4'-phosphoryl)-L-serine(1-) residue - + - - - - phthalate + + + O-{S-[(9Z)-3-oxohexadecenoylpantetheine]-4'-phosphoryl}-L-serine(1-) residue - + - - - - benzenedicarboxylic acid + + + O-[S-(3R)-hydroxy-(9Z)-hexadecenoylpantetheine-4'-phosphoryl]-L-serine(1-) residue - + - - - - phylloquinones + + + isopimarane diterpenoid - + - - - phytoalexin + + + (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate - + - - - - - - - - - - - - - - - phytochromobilin + + + (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA(4-) - + - - - phytoene + + + 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate - + - - - phytosteroid + + + (9S,13S)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-CoA(4-) - + - - - - phytosterols + + + + + + 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid - + - - - phytylnaphthoquinone + + + hexadecanoyl phosphate(2-) - + - - - biological pigment + + + (S)-3-hydroxytetradecanoate - + - - - - piperazines + + + [alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol(2-) - + - - - - piperidinemonocarboxylic acid + + + + + (3R,4R)-3-[(1S)-1-hydroxyalkyl]-4-(hydroxymethyl)oxolan-2-one - + - - - - piperidines + + + + + (3R,4R)-3-acyl-4-(hydroxymethyl)oxolan-2-one - + - - - plant growth regulator + + + O(3)-(beta-D-GlcA-(1->3)-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine(2-) residue - + - - - polar amino acid + + + O(3)-(beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine(2-) residue - + - - - poly(ribitol phosphate)s + + + + O(3)-(beta-D-GlcA-(1->3)-poly[beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)]-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine polyanionic residue - + - - - - - - - - - - - - - - - poly(N-acetyllactosamine) + + + + O(3)-(poly[beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)]-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine polyanionic residue - + - - - - - - - - - polyene antibiotic + + + (3R)-3-hydroxy-2,3-dihydrotabersoninium - + - - - - polyester macromolecule + + + (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium - + - - - polyether antibiotic + + + N-(12-oxojasmonyl)-L-alpha-amino acid anion - + - - - polyprenyl glycosyl phosphate + + + N-(12-hydroxy-12-oxojasmonyl)-L-alpha-amino acid dianion - + - - - - polyprenyl phospho oligosaccharide + + + N(2)-[(3R)-3-(2-saturated-acyloxy)acyl]-L-ornithine zwitterion - + - - - - - polyprenyl phospho carbohydrate + + + N(5)-methyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion - + - - - polyketide + + + N(5),N(5)-dimethyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion - + - - - polyol + + + N(5),N(5),N(5)-trimethyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine betaine - + - - - polyphenol + + + N(2)-[(3R)-hydroxy-acyl]-L-ornithine zwitterion - + - - - polyphenylpropanoid + + + + cis-3,4-dialkyloxetan-2-one - + - - - polyprenol + + + + + + + + + apoprotein - + - - - polyterpenoid + + + dialkyl phosphate(1-) - + - - - polyunsaturated fatty acid + + + lysophosphatidylethanolamine 17:0 - + - - - - - - - - - porphyrins + + + O-{S-[3-oxo-(11Z)-octadecenoyl]pantetheine-4'-phosphoryl}-L-serine(1-) residue - + - - - - - - - - + + + + + (3E,5Z)-dodecadienoyl-CoA(4-) + + + + + + + + + - + - potassium atom + 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole - + - - - - - - - - - potassium molecular entity + + + + (3E,5Z)-dodecadienoate - + - - - - prenols + + + + + + + + + + + + 19-hydroxyprostaglandin I2 - + - - - - prenyl group + + + (R)-3-hydroxypentanoyl-CoA(4-) - + - - - prenyl groups + + + + (R)-3-hydroxypentanoate - + - - - prenol phosphate + + + + + + + + + + + pneumocysterol - + - - - - prenylnaphthoquinone + + + O-phosphocholine-L-serine residue - + - - - prenylquinone + + + (4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one - + - - - - proanthocyanidin + + + (4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one - + - - - - - - - - - + + + - + - proline + 4,4'-diapolycopen-4-al - + - - - proline derivative + + + 4,4'-diapolycopen-4-oate - + - - - propan-1-ols + + + (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2-) - + - - - propanals + + + [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2-) - + - - - propane-1,3-diols + + + [(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-) - + - - - propanediol + + + (S)-3-hydroxypentanoyl-CoA(4-) - + - - - propanones + + + + (S)-3-hydroxypentanoate - + - - - prostaglandin + + + + short-chain (R)-3-hydroxy fatty acyl-CoA(4-) - + - - - - - prostaglandins D + + + O-[S-(2E)-isoheptenoylpantetheine-4'-phosphoryl]serine(1-) residue - + - - - - - prostaglandins E + + + O-[S-(isoheptanoyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - amidine + + + D-alanyl-AMP zwitterion - + - - - prostaglandins F + + + + asparagusate - + - - - - prostaglandins I + + + O-[S-(D-alanyl)pantetheine-4'-phosphoryl]-L-serine zwitterionic residue - + - - - - prostaglandins J + + + [(3S)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) - + - - - prostanoid + + + O-(S-L-prolylpantetheine-4'-phosphoryl)serine zwitterionic residue - + - - - prosthetic group + + + O-[S-(pyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - - proteochondroitin sulfate + + + (+)-jasmonic acid anion - + - - - - heme b + + + N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate - + - - - protoporphyrins + + + N-[(3R)-jasmonyl]-L-isoleucinate - + - - - - - pteridines + + + 2-hydroxybutanoyl-CoA(4-) - + - - - pterins + + + 2-hydroxyhexanoyl-CoA(4-) - + - - - - pterocarpans + + + + + + + + + + + + + + + + + heptadecanal - + - - - pullulans + + + 2-hydroxy-3-methylundecanoyl-CoA(4-) - + - - - - purine alkaloid + + + 2-hydroxy-3-methylnonanoyl-CoA(4-) - + - - - - purine nucleobase + + + + 3-methylnonanoyl-CoA(4-) - + - - - - purine 2'-deoxyribonucleoside diphosphate + + + (R)-2-hydroxyhexadecanal - + - - - - purine 2'-deoxyribonucleoside monophosphate + + + 2-hydroxy-3-methyldodecanoyl-CoA(4-) - + - - - - purine deoxyribonucleoside triphosphate + + + + 3-methyldodecanoyl-CoA(4-) - + - - - - - - - - - - - - - - - - - - amiloride + + + O-(S-fatty acylpantetheine-4'-phosphoryl)-L-serine(1-) residue - + - - - - purine 2'-deoxyribonucleotide + + + (R)-2-hydroxyhexadecanoyl-CoA(4-) - + - - - purine nucleoside diphosphate + + + + + rhizathalene A - + - - - purine nucleoside monophosphate + + + + + 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside - + - - - purine nucleoside triphosphate + + + + dilinoleoylglycerol - + - - - - purine nucleoside + + + dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose - + - - - - purine nucleotide + + + + N-hexadecanoyl-O-(1-octadecanoyl-2-oleoyl-sn-glycero-3-phospho)-L-serine(2-) - + - - - - purine ribonucleoside diphosphate + + + N-hexadecanoyl-O-(1-octadecanoyl-sn-glycero-3-phospho)-L-serine(2-) - + - - - - purine ribonucleoside monophosphate + + + + N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine(1-) - + - - - - purine ribonucleoside triphosphate + + + N-(omega-hydroxytriacontanoyl)sphingosine - + - - - - purine ribonucleoside + + + gas molecular entity - + - - - - purine ribonucleotide + + + + 11-cis-retinyl tetradecanoate - + - - - purines + + + + 9-cis-retinyl tetradecanoate - + - - + + + - + - puromycins + + + + + + + 3,4-dihydroxyphenylethyleneglycol - + - - - N-substituted putrescine + + + + 13-cis-retinyl tetradecanoate - + - - - - pyrans + + + + + + + + + + all-trans-retinyl tetradecanoate - + - - - - pyridine alkaloid + + + + + + + + + + tetradecyl tetradecanoate - + - - - - - pyridinemonocarboxylic acid + + + 13-cis-retinyl hexadecanoate - + - - - - pyridines + + + 1-oleoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) - + - - - - pyrimidine nucleobase + + + all-trans-retinyl heptanoate - + - - - - pyrimidine 2'-deoxyribonucleoside diphosphate + + + 3'-unsubstituted flavone - + - - - - pyrimidine 2'-deoxyribonucleoside monophosphate + + + 3'-methoxyflavones - + - - - - pyrimidine deoxyribonucleoside triphosphate + + + + 5'-hydroxy-3'-methoxyflavone - + - - - - pyrimidine 2'-deoxyribonucleotide + + + + 3',5'-dimethoxyflavone - + - - - pyrimidine nucleoside diphosphate + + + alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate(2-) - + - - - pyrimidine nucleoside monophosphate + + + 1-[(9Z)-octadecenyl]monooleoylglycerol - + - - - pyrimidine nucleoside triphosphate + + + 1-[(9Z)-octadecenyl]-2,3-dioleoylglycerol - + - - - - pyrimidine nucleoside + + + + + + + + + + + + + + + + + 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine - + - - - - pyrimidine nucleotide + + + + + + + + + + + + + + + + + 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine - + - - - - pyrimidine ribonucleoside diphosphate + + + 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine - + - - - - pyrimidine ribonucleoside monophosphate + + + D-tagatopyranose 1-phosphate - + - - - - pyrimidine ribonucleoside triphosphate + + + archaeosine 5'-phosphate zwitterionic residue - + - - - - pyrimidine ribonucleotide + + + + ent-copal-8-ol diphosphate - + - - - - pyrimidinemonocarboxylic acid + + + CDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) - + - - - - pyrrolidine alkaloid + + + + (3R)-3-hydroxy-4-oxobutanoate - + - - - - - - - - - pyrroloquinoline cofactor + + + 3alpha-hydroxy bile acid CoA thioester(4-) - + - - - - pyruvate family amino acid + + + 3-oxo bile acid CoA thioester(4-) - + - - - - - - - - - quaternary nitrogen compound + + + 2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate - + - - - quinate + + + beta-D-fructofuranose 1-phosphate(2-) - + - - - - - - - - - quinic acid + + + + + + (R)-3-hydroxy-4-oxobutanoic acid - + - - - dihydroxyquinoline + + + + peregrinol diphosphate - + - - - - quinoline N-oxide + + + Man-1-2-Ins-1-P-Cer(d18:0)(1-) - + - - - quinoline alkaloid + + + 3',5'-unsubstituted flavanone - + - - - alpha-aminoacyl-tRNA + + + + + + + + + + + + + + + + + + + + + + + + + + + meso-zeaxanthin - + - - - - quinolinemonocarboxylic acid + + + 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine - + - - - - quinolines + + + 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine - + - - - radical + + + 1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine - + - - - reactive oxygen species + + + N-hexadecanoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine - + - - - - + + + N-oleoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine + + + + + + + + + N-(4-oxoglutaryl)-L-cysteinylglycine + + + + + + + + + N(6)-hexadecanoyl-L-lysine residue + + + + + + + + - + - reticuline + D-xylulose 1,5-bisphosphate - + - - - - retinals + + + EC 4.1.1.39 (ribulose-bisphosphate carboxylase) inhibitor - + - - - + + - + - retinoic acid + 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine - + - - - retinoid + + + + 2-hydroxyoctanoyl-CoA - + - - - rhamnogalacturonan + + + + + + + + + + + + 11-hydroxyferruginol - + - - - rhamnonate + + + + + carnosate - + - - + + + + + salviol + + + + + + + + + - + - rhamnose + + + + + + + maniladiol - + - - - rhamnoside + + + cochalate - + - - - ribitol phosphate + + + (4S)-2,3-dehydroleucocyanidin(1-) - + - - - - 1-ribosylimidazolecarboxamide + + + (4S)-2,3-dehydroleucopelargonidin(1-) - + - - - ribonucleoside monophosphate + + + 3'-hydroxy-5'-unsubstituted flavanone - + - - - - ribonucleotide + + + + + + + + + + daturadiol - + - - - ribose phosphate + + + + 2-hydroxydecanoyl-CoA - + - - - 1,3,5-triazines + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + sugiol - + - - - salicylates + + + + + + + + + + + + + + + + + + + + + + + + + 11-hydroxysugiol - + - - + + + + + + + - + - saponin + + + + + + + 11,20-dihydroxysugiol - + - - - sapogenin + + + + + 2-hydroxyisovaleryl-CoA - + - - - saturated fatty acid + + + + + + + + + + + + + 11,20-dihydroxyferruginol - + - - true + + + + + + + + + + 9beta-pimara-7,15-diene-3beta-ol - + - - + + + - - + + - selenium molecular entity + ent-cassa-12,15-dien-2beta-ol - + - - - selenoamino acid + + + + + + + + + + + ent-cassa-12,15-dien-2beta,3beta-diol - + - - - selenous acid - - - - - - - - - - aldehydic acid + + + + + + + + + + ent-cassa-12,15-dien-2-one - + - - - semiochemical + + + + + + + + + + + + ent-3beta-hydroxycassa-12,15-dien-2-one - + - - - serine derivative + + + + + + + + + + + + + + + + + + drimendiol - + - - - - serine family amino acid + + + + + + + + + + + 11alpha-hydroxycucurbitadienol - + - - - sesquiterpenoid + + + + + + + + + + + 11-oxocucurbitadienol - + - - - short-chain fatty acid + + + + + + + + + + mogrol - + - - - sialic acid + + + + + + + + + + + mogroside IE - + - - - - - siderophore + + + quorum sensing inhibitor - + - - - - organosilanediol + + + + hemisuccinate - + - - - silicic acid + + + + + + + + + AZD1979(1+) - + - - - - - - - - - silicon molecular entity + + + + + + + AZD1979 oxetane hydrolysis product - + - - - - singlet dioxygen + + + taurino group - + - - - sn-glycerol 3-phosphates + + + cis-alkene - + - - - glycerol phosphate + + + + 2-hydroxyheptadecanoyl-CoA - + - - - - - - - - - sodium atom + + + + 2-hydroxyicosanoyl-CoA - + - - - - - - - - - sodium molecular entity + + + + 2-hydroxydodecanoyl-CoA - + - - - - - - - - - - sodium salt + + + + 2-hydroxytetradecanoyl-CoA - + - - - sphingenine + + + nerylneryl diphosphate(3-) - + - - - - - sphingolipid + + + + + + + + + + (-)-kolavenyl diphosphate - + - - - - sphing-4-enine + + + + (+)-kolavenyl diphosphate - + - - - - spirostan + + + L-firefly luciferyl-CoA - + - - - - + + + + - + - sterigmatocystins - - - - - - - - - + - steroid hormone + ent-Photinus luciferin - + - - - - stilbene + + + dihydroceramide - + - - - - stilbenoid + + + + phytoceramide - + - - - - streptomycins + + + inositol-1-phosphodihydroceramide(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - amphetamine + + + inositol-1-phosphophytoceramide(1-) - + - - - - styrenes + + + + + pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide - + - - - succinate + + + + (15Z)-12-oxophyto-10,15-dienoyl-CoA - + - - - - - carbohydrate phosphate + + + mannosylinositol-1-phosphodihydroceramide(1-) - + - - - - sulfuric ester + + + mannosylinositol-1-phosphophytoceramide(1-) - + - - - sulfates + + + inositol phosphomannosylinositol-1-phosphophytoceramide(2-) - + - - - sulfide + + + + 4-hydroxytryptamine(1+) - + - - - - sulfobenzoic acid + + + norbaeocystin(1-) - + - - - sulfonium compound + + + baeocystin(1-) - + - - - + + - + - N,N''-sulfonyldiurea - - - - - - - - - - + - sulfur atom + + + + + + + + + + + + + psilocybin(1-) - + - - - - sulfur-containing amino acid + + + + N(5)-phospho-L-glutamine(1-) - + - - - - - - - - - sulfur molecular entity + + + + (E)-hex-4-enoyl-CoA - + - - - - - - - - - sulfuric acid + + + + + + (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid - + - - - - synthetic auxin + + + N(6)-methyl-2'-deoxyadenosine 5'-monophosphate residue - + - - - altraric acid + + + inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine(2-) - + - - - - - - - - - tannin + + + 2'-deoxyribose 5'-monophosphate residue - + - - - tartaric acid + + + 2'-deoxyribose 5'-monophosphate(1-) residue - + - - - - terpene ketone + + + (R,R)-3-(3-hydroxydecanoyloxy)decanoate - + - - - terpenoid + + + + (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA - + - - - - terpenyl phosphate + + + + (9S,13S)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-CoA - + - - - tertiary alcohol + + + hexadecanoyl phosphate - + - - - - tetracyclic triterpenoid + + + (R,R)-3-(3-hydroxydecanoyloxy)decanoic acid - + - - - - - - - - - tetracyclines + + + carotenoid psi-end group - + - - - benzyltetrahydroisoquinoline + + + carotenoid epsilon-end group - + - - - - tetrahydrocorphin + + + carotenoid beta-end group - + - - - tetrahydrofolic acid + + + + + (3E,5Z)-dodecadienoyl-CoA - + - - - - tetrahydrofolyl glutamate + + + + + + + + + + + + + + (3R)-3-hydroxy-2,3-dihydrotabersonine - + - - - - - + + + + + + + - + - oxolane + (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine - + - - - - oxolanes + + + C-terminal S-carbamoyl-L-cysteinate residue - + - - - tetrahydromethanopterin + + + C-terminal S-cyano-L-cysteinate residue - + - - - - tetrapyrrole + + + carotenoid phi-end group - + - - - - tetraric acid + + + carotenoid chi-end group - + - - - tetraterpenoid + + + + 4-O-({poly[2-N-acetyl-alpha-D-glucosaminyl-1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion - + - - - monoatomic tetracation + + + + 4-O-({poly[2-N-acetyl-beta-D-glucosaminyl-1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion - + - - - tetrose + + + mannose-1D-myo-inositol 1-phosphate(2-) - + - - - - - thiamine phosphate + + + mannose-(1D-myo-inositol 1-phosphate)2(3-) - + - - - + + + + 4-O-[poly(2-beta-D-glucosyl-1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion + + + + + + + + + (S,S)-bis-(3-oleoylglycero)-1-phosphate(1-) + + + + + + + + + + ADP-5-ethyl-4-methylthiazole-2-carboxylate(3-) + + + + + + + + + (S,S)-3-oleoylglycero-1-phospho-1'-glycerol(1-) + + + + + + + + + + + + + + - + - thiamine + AZD1979 - + - - - - thiocarboxylic ester + + + melanin-concentrating hormone receptor antagonist - + - - - thiophenes + + + (S,S)-bis-(2-oleoylglycero)-1-phosphate(1-) - + - - - thioglycines + + + (S,S)-2-oleoylglycero-1-phospho-1'-glycerol(1-) - + - - - thiosulfate + + + + [(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n polyanion - + - - - - - organic heterotricyclic compound + + + + alpha-D-galacturonosyl-[(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n polyanion - + - - + + + + + 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine + + + + + + + + + 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+) + + + + + + + + + + + + + - - + + - + - threonine + + + + + + + + + + + + + + + + + + + + + + + + + oleuropein aglycone - + - - - threonine derivative + + + + + 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol - + - - - thromboxane + + + 2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol(1+) - + - - - thymidine phosphate + + + secoiridoid - + - - - + + + N(2)-[(3R)-3-(2-hydroxyacyloxy)acyl]-L-ornithine zwitterion + + + + + + + + + - + - tin atom + 4,4'-diapolycopen-4-oic acid - + - - - - - - - - - tin molecular entity + + + 1-O-(all-trans-retinoyl)-beta-D-glucuronate - + - - - toluate + + + 4-(beta-D-glucopyranuronosyloxy)retinoate(2-) - + - - - toluene-4-sulfonate + + + + 5,6-epoxyretinoate - + - - - toluenes + + + 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronate - + - - - - toxin + + + 1-O-(4-oxoretinoyl)-beta-D-glucuronate - + - - - micronutrient + + + + retinoid glucosiduronic acid anion - + - - - (9R,10R)-9,10-dihydrophenanthrene-9,10-diol + + + + 2-hydroxy fatty acid anion 14:0 - + - - - transition element atom + + + hydroxy fatty acid anion 14:0 - + - - - trehalose + + + + 2-hydroxy fatty acid anion 16:0 - + - - - trehalose phosphate + + + hydroxy fatty acid anion 16:0 - + - - - tributylstannane + + + + 2-hydroxy fatty acid anion 18:0 - + - - - - tricarboxylic acid trianion + + + hydroxy fatty acid anion 18:0 - + - - - tricarboxylic acid + + + + + 2-hydroxy fatty acid anion 20:0 - + - - - trichlorobenzene + + + + hydroxy fatty acid anion 20:0 - + - - - trihydroxybenzoic acid + + + + 2-hydroxy fatty acid anion 22:0 - + - - - trihydroxyflavone + + + hydroxy fatty acid anion 22:0 - + - - - trimethylxanthine + + + + 2-hydroxy fatty acid anion 24:0 - + - - - trinitrotoluene + + + hydroxy fatty acid anion 24:0 - + - - - triol + + + + 2-hydroxy fatty acid anion 26:0 - + - - - triose + + + hydroxy fatty acid anion 26:0 - + - - - trisaccharide + + + + + + + + + + + + cochalic acid - + - - - - monoatomic trication + + + + + 4-hydroxytryptamine - + - - - tryptamines + + + secondary nitroalkane - + - - - - organic heterobicyclic compound + + + (R,R)-bis(2-oleoylglycero)-3-phosphate(1-) - + - - - - tyramines + + + (R,R)-2-oleoylglycero-1-phospho-1'-glycerol(1-) - + - - - - - L-tyrosine derivative + + + + + (3E,5Z)-dodecadienoic acid - + - - - undecaprenols + + + + (R)-3-hydroxypentanoyl-CoA - + - - - univalent carboacyl group + + + + bacteriochlorophyllide f(1-) - + - - - unsaturated fatty acid + + + (R)-3-hydroxypentanoic acid - + - - - - urate(2-) + + + + 7(1)-hydroxybacteriochlorophyllide d(1-) - + - - + + + + 7(1),7(1)-dihydroxybacteriochlorophyllide d(1-) + + + + + + + + + + - + - uric acid + [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate - + - - - uridine 5'-phosphate + + + [8)-alpha-Neu5Ac-(2->]n polyanion - + - - - - uridine phosphate + + + + all-trans-18-hydroxyretinoate - + - - - uridines + + + + + + + + + + + [(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate - + - - - - - uronic acid + + + + (S)-3-hydroxypentanoyl-CoA - + - - - - uroporphyrinogen + + + + + + + + + + + + + + + + + + + + + + + 6beta-hydroxycortisone - + - - - + + + (S)-3-hydroxypentanoic acid + + + + + + + + + + + + + + + + - - + + - + - + - valine + 6beta-hydroxycortisol - + - - - - vanadic acid + + + + + 3-hydroxypentanoic acid - + - - - - - - - - - vanadium molecular entity + + + 4-O-methylxanthohumol(1-) - + - - - very long-chain fatty acid + + + calcitriol 25-O-(beta-D-glucuronate) - + - - - vinca alkaloid + + + calcidiol 25-O-(beta-D-glucuronate) - + - - - - - - - - - vitamin D + + + calcidiol 3-O-(beta-D-glucuronate) - + - - - - - - - - - vitamin B6 + + + [(2->8)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n polyanion - + - - - volatile oil component + + + [(2->8)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n polyanion - + - - - water-soluble vitamin + + + [(2->6)-alpha-D-glucosyl-(1->4)-N-acetyl-alpha-D-neuraminosyl]n polyanion - + - - - xanthophyll + + + [(2->6)-alpha-D-glucosyl-(1->4)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n polyanion - + - - - xanthosine phosphate + + + [(2->6)-alpha-D-glucosyl-(1->4)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n polyanion - + - - - - xylene + + + chlorophyll(1-) - + - - - xylogalacturonan + + + + chlorophyllide(2-) - + - - - xylulose + + + + D-alanyl-AMP - + - - + + + - + - xylulose 5-phosphate - - - - - - - - - - xylulose phosphate + (+)-jasmonic acid - + - - - - - - - - - zinc atom + + + + + + N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine - + - - - - - - - - - zinc molecular entity + + + + + N-[(3R)-jasmonyl]-L-isoleucine - + - - - - zinc ion + + + + 2-hydroxybutanoyl-CoA - + - - - zwitterion + + + + 2-hydroxyhexanoyl-CoA - + - - - - - - - - - - methanesulfonic acid + + + S-disulfanyl-L-cysteine residue - + - - - - - - - - - (1->6)-beta-D-glucan + + + S-(sulfosulfanyl)-L-cysteine(1-) residue - + - - - + + + + - + - + - tetrachloromethane + coelenterazine 2-hydroperoxide - + - - - + + + + + + + - + - cinnamic acid + coelenterazine dioxetanone - + - - - - - - - - - - streptidine + + + 5-chloro-L-tryptophan zwitterion - + - - - p-xylene + + + 6-chloro-L-tryptophan zwitterion - + - - - - - - - - - - - - - - - - - - - - - - alpha-linolenic acid + + + 6,7-dichloro-L-tryptophan zwitterion - + - - + + + + + - + - maltohexaose + (4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal - + - - - - - - - - - - - - - - - - - - - - - - - - styrene + + + EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - folic acid + + + EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor - + - - - - D-valine + + + + 1,3-dihydroimidazole-2-thiones - + - - - - - - - - + + + + - + - mitomycin C + all-trans-4-hydroxyretinal - + - - - - - acetylene + + + + + 2-hydroxy-3-methylundecanoyl-CoA - + - - - - L-cysteine thioether + + + + + 2-hydroxy-3-methylnonanoyl-CoA - + - - - - beta-zeacarotene + + + aryl sulfate oxoanion - + - - - - - - - - - - - - - - - zeaxanthin + + + + 3-methylnonanoyl-CoA - + - - - - - - - - - - 5-methylcytosine + + + (R)-2-hydroxyhexadecanoyl-CoA - + - - - - - - - - - - - boron atom + + + + + 2-hydroxy-3-methyldodecanoyl-CoA - + - - - - - - - - - - + + + + 3-methyldodecanoyl-CoA + + + + + + + + + alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate + + + + + + + + + + CDP-4-dehydro-6-deoxy-alpha-D-glucose + + + + + + + + - oxirane + N-hexadecanoyl-O-(1-octadecanoyl-2-oleoyl-sn-glycero-3-phospho)-L-serine - + - - - - - - - - - - arsenic atom + + + + + N-acyl-O-(3-sn-phosphatidyl)-L-serine - + - - - - - - - - - - selenium atom + + + N-hexadecanoyl-O-(1-octadecanoyl-sn-glycero-3-phospho)-L-serine - + - - - arabinogalactan + + + + + N-acyllysophosphatidyl-L-serine - + - - - - - - - - - - - - - - - - - histidine + + + N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine - + - - - - - silicon atom + + + carbamate - + - - - - - - - - - - - - - - - - - - - - - - - aldosterone + + + 1-oleoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate - + - - - - - - - - - - - ectoine + + + beta-D-fructofuranose 1-phosphate - + - - - - - - - - - - carbon atom + + + Man-1-2-Ins-1-P-Cer(d18:0) - + - - - - - - pteridine + + + + + + (4S)-2,3-dehydroleucocyanidin - + - - - hydantoin + + + + + + (4S)-2,3-dehydroleucopelargonidin - + - - - - - - - - - - - - - - - - - - - - - - - - monensin A + + + mogroside - + - - - - - - - - - - cobalt atom + + + nerylneryl diphosphate - + - - - - - - - - - - - - - + + + + - + - + - cycloheximide + norbaeocystin - + - + + + - - - - - - - - - - - - - + - methyl tert-butyl ether + (+)-O-methylkolavelool - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - camptothecin + + + + + 5-chloro-L-tryptophan - + - - - 2-oxo aldehyde + + + sensitiser - + - - - - - - - - - actinomycin D + + + N(4)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc]-L-Asn residue - + - - - - - - - - - - - - - - - beta-D-galactose + + + N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue - + - - - galactomannan + + + N(4)-(alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue - + - - - - phenylmercury acetate + + + N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue - + - - + + + - + - vanadium atom + 3,5-dibromo-4-hydroxybenzoic acid - + - - - - - - - - - - - - - - - - - - - - + + + N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn residue + + + + + + + + + N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue + + + + + + + + + + - + - + - oxytetracycline + baeocystin - + - - - - - - - - - - delta-carotene + + + N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue - + - - - - 3-chlorocatechol + + + + beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosaminide - + - - - - 6-chloro-1,3,5-triazine-2,4-diamine + + + + alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide(1-) - + - - - - - - - - - + + + N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue + + + + + + + + + + + reduced coenzyme F420-(gamma-Glu)n polyanion + + + + + + + + + N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue + + + + + + + + + - D-isoleucine + nonaflavuxanthin - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + - + - caffeine + flavuxanthin - + - - - 3'-hydroxyflavonoid + + + (5R)-5,6-dihydro-5-(thymidin-7-yl)thymidine dimer(2-) residue - + - - - - - - - - - - - - - - - - - - - - - - glyphosate + + + thymidine dimer(2-) residue - + - - - - - - - - - D-ribosylnicotinic acid + + + phenolic donor - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ethyl acetate + + + phenolic radical donor - + - - - 4-chlorobiphenyl + + + inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine - + - - - (S)-prunasin + + + (S,S)-bis-(3-oleoylglycero)-1-phosphate - + - - - - detergent + + + (S,S)-3-oleoylglycero-1-phospho-1'-glycerol - + - - - - - - - - - - - - - - - 1,2-dichloroethane + + + (S,S)-bis(2-oleoylglycero)-1-phosphate - + - - - - nitrobenzene + + + (S,S)-2-oleoylglycero-1-phospho-1'-glycerol - + - - - - - - - - - - - - - - - - resorcinol + + + 7(1)-hydroxybacteriochlorophyllide d - + - - - - - - - - - 2-aminobenzimidazole + + + 7(1),7(1)-dihydroxybacteriochlorophyllide d - + - - - - - - (S)-4-hydroxymandelonitrile beta-D-glucoside + + + EC 4.1.1.17 (ornithine decarboxylase) inhibitor - + - - - - - - - - - - - - - - + + + + - + - cyanidin cation + 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronic acid - + - - - alpha-L-rhamnoside + + + + (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4-) - + - - - - toluene-4-sulfonic acid + + + + ceramide 1-phosphate - + - - - - - - - - - - - - - - - - - resveratrol + + + archaeal dolichyl beta-D-glucosyl phosphate(1-) - + - - - - - - - - - - - - - - - - S-sulfo-L-cysteine + + + + archaeal dolichyl beta-D-glucuronosyl-(1->3)-beta-D-glucosyl phosphate(2-) - + - - - - - - - - - - - - - - - - - tryptophan + + + + octadecatrienoyl-CoA(4-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - cisplatin + + + + octadecadienoyl-CoA(4-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - tetracycline + + + + octadecenoyl-CoA(4-) - + - - - - - - - - - - - - - - - - (2,4,5-trichlorophenoxy)acetic acid + + + 8-amino-8-demethylriboflavin 5'-phosphate(3-) - + - - - - - - - - - sorbose + + + 8-formyl-8-demethylriboflavin 5'-phosphate(3-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - parathion + + + + 8-carboxy-8-demethylriboflavin 5'-phosphate(4-) - + - - - - beta-lactam antibiotic + + + + hexadecenoyl-CoA(4-) - + - - - - pullulan + + + + octadecenoyl-CoA - + - - - - - - - - - - D-histidine + + + monounsaturated fatty acyl-CoA - + - - - streptamine + + + + octadecatrienoyl-CoA - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - cocaine + + + + octadecadienoyl-CoA - + - - - - - - - - - - - (Kdo)2-lipid A (E. coli) + + + O(3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl]-L-threonine residue - + - - - L-glyceraldehyde + + + O(3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl]-L-serine residue - + - - - - benzonitrile + + + (R,R)-bis(2-oleoylglycero)-3-phosphate - + - - - (R)-4-hydroxymandelate + + + (R,R)-2-oleoylglycero-1-phospho-1'-glycerol - + - - - - - - - - - tungsten + + + + alpha-hydroxy ketone - + - - - - - - - - - - - - - - - - - - - - - vancomycin + + + retinoid anion - + - - - - - - - - - - - - - - - - - - - - - starch + + + + primary alpha-hydroxy ketone - + - - - - cyanic acid + + + + tertiary alpha-hydroxy ketone - + - - - beta-D-galactoside + + + + + 4-O-methylxanthohumol - + - - - - - - - - - - - - - - - - phenylalanine + + + + N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide(1-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - melibiose + + + O(3)-[N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-serine(1-) residue - + - - - amylopectin + + + O(3)-[N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-threonine(1-) residue - + - - - - - - - - + + + + - + - alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-beta-D-Gal-(1->4)-beta-beta-D-Glc-(1<->1')-Cer + calcitriol 25-O-(beta-D-glucuronide) - + - - - o-xylene + + + + beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminide - + - - - - - - - - - - chromium atom + + + O(3)-{beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-serine residue - + - - - - - - - - - - - - - - - glycogen + + + O(3)-{beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue - + - - - - - - - - + + + + - + + calcidiol 25-O-(beta-D-glucuronide) + + + + + + + + + O(3)-{beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-alpha-D-GalNAc}-L-serine residue + + + + + + + + + O(3)-{N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine residue + + + + + + + + + + - + + calcidiol 3-O-(beta-D-glucuronide) + + + + + + + + @@ -33549,5041 +27542,3642 @@ - + - genistein + citramalate(2-) - + - - - - - - - - - - - - - - - borneol + + + + + 6-chloro-L-tryptophan - + - - - - - - - - - chlorobenzene + + + O(3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl]-L-serine residue - + - - - kanamycin B + + + 2-octanoyl-sn-glycero-3-phosphocholine - + - - - (1->3)-alpha-D-glucan + + + O(3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl]-L-threonine residue - + - - - - - - - - - - - - - - - - - - - - - amylose + + + all-trans-retinyl octanoate - + - - - - - - - - - - 2-isopropylmalate(2-) + + + O(3)-{N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl}-L-serine residue - + - - - + + + + + 6,7-dichloro-L-tryptophan + + + + + + + + + O(3)-{N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl}-L-threonine residue + + + + + + + + + 2-dodecanoyl-sn-glycero-3-phosphocholine + + + + + + + + + - + - + - 24,25-dihydrolanosterol + all-trans-retinyl dodecanoate - + - - - - - - - - - - muramic acid + + + + 8-amino-8-demethylriboflavin 5'-phosphate - + - - - 2,3,7,8-tetrachlorodibenzodioxine + + + + + (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA - + - - - L-fructose + + + + + 8-formyl-8-demethylriboflavin 5'-phosphate - + - - - - - - - - - p-cumic acid + + + + + 8-carboxy-8-demethylriboflavin 5'-phosphate - + - - - - - - - - - - - dibenzofuran + + + D-hexose phosphate(2-) - + - - - 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate + + + phosphatidylcholine (20:4/16:0) - + - - - - D-asparagine + + + Brassica napus metabolite - + - - - - - - - - - - - - - - - iron(III) hydroxamate + + + N(4)-{alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn(2-) residue - + - - - kanamycin C + + + N(4)-{beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn(1-) residue - + - - - 6-alpha-maltosylglucose + + + N(4)-{beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue - + - - - - - - - - - - - - - - - - ferrienterobactin(3-) + + + 3'-L-prolyl-AMP(1-) - + - - - - - - - - - - - - - - - + + + (3R,4R)-4,2'-dihydroxyisoflavans + + + + + + + + + + + - + + hydroxyalbendazole + + + + + + + + + (3R)-2'-hydroxyisoflavanones + + + + + + + + + + + - + - + - rotenone + hydroxyfenbendazole - + - - - + + - + - phaseic acid + 2alpha-hydroxy-ent-isokaurene - + - - + + + - + - acrylonitrile + omega-hydroxy-beta-dihydromenaquinone-9 - + - - - 1,2,4-trichlorobenzene + + + 21-phosphorifampicin(2-) - + - - - + + + 3-bromo-4-hydroxybenzoate + + + + + + + + + 3-bromo-4,5-dihydroxybenzoate + + + + + + + + + - + - + - D-leucine + + + + + + + + + + + + + 3,5-dibromocatechol - + - - - - - N(omega)-methyl-L-arginine + + + O-[S-(4,5-dichloropyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - (S)-2-amino-6-oxopimelic acid + + + O-[S-(5-chloropyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - - - - - - - - - - - - - 11beta-hydroxyprogesterone + + + + sordaricin(1-) - + - - - - - - - - - galactose + + + 4'-O-demethylsordarin(1-) - + - - - - - - - - - + + + - + - + + 3-bromo-4-hydroxybenzoic acid + + + + + + + + + - + - + + 3-bromo-4,5-dihydroxybenzoic acid + + + + + + + + + + + + - + - + - dimethyl sulfoxide + sordaricin - + - - - - fluorene + + + (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate - + - - - - - - - - - 2-deoxystreptamine + + + + corydaline - + - - - + + - + - - - - - - - hydantoin-5-propionic acid + 2alpha,3alpha-dihydroxy-ent-isokaurene - + - - - - - - - - - - - - - - - glutamine + + + + + + + + + 21-phosphorifampicin - + - - - - glucuronoarabinoxylan + + + 5-hydroxyanthocyanidin - + - - - - - - - - - heparin + + + + 5-hydroxyanthocyanin O-beta-D-glucoside - + - - - - - - - - - - - - - - - - - - 11-deoxycortisol + + + deoxyribonucleotide residue(1-) - + - - - - - - - - - D-galactosamine + + + deoxyribonucleoside 5'-methylphosphate residue - + - - - - - - - - - - - - - - - - - - - - - rac-lactic acid + + + 5'-triphosphoadenylyl-(2'->5')-adenosine(5-) - + - - - - - - - + + + + + + - - - - - - - - - - - - - - - - - - - - - - - - - + - novobiocin + 4'-O-demethylsordarin - + - - - alpha,omega-dicarboxylic acid + + + + + crepenynate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - vitamin K + + + + + 7-hydroxyisoflavones 7-O-beta-D-glucoside - + - - - - - - - - - 4-hydroxycinnamyl alcohol + + + + beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside - + - - - - - - - - - beta-D-glucosamine + + + + beta-D-galactosyl-(1->4)-beta-D-glucoside - + - - - - - - - - - - - - - - - - - butan-2-one + + + + beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminide - + - - - - - - - - - - - cyanidin 3-O-beta-D-glucoside + + + genistein 7-O-beta-D-glucoside(1-) - + - - - arabinoxylan + + + 2'-hydroxygenistein(1-) - + - - - - - - - - - - - - - - - beta-hexachlorocyclohexane + + + alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(1-) - + - - - - - - - - - - - - - - - - - - - - - delphinidin + + + alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(2-) - + - - + + + + phenyl acetates + + + + + + + + + FMNH(.)(2-) + + + + + + + + + [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n polyanion + + + + + + + + - + - + - maltotetraose + 5'-triphosphoadenylyl-(2'->5')-adenosine - + - - - - ajmaline + + + phenyl sulfate oxoanion - + - - - - - - - - - - D-tyrosine + + + primary carboxamide - + - - - aldehydo-L-lyxose + + + secondary carboxamide - + - - - - - - - - - - - - - - - - - isovaleric acid + + + tertiary carboxamide - + - - - m-xylene + + + + alpha-L-fucosyl-(1->2)-beta-D-galactoside - + - - - - - - - - - - - - - - - - - - - - - cardiolipin + + + + alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactoside - + - - - - - - - - - - - - - - - - - acadesine + + + 13-deoxycarminomycin(1+) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - kaempferol + + + (13R)-13-dihydrocarminomycin(1+) - + - - - - arsonoacetic acid + + + 4'-hydroxyflavanones - + - - - all-trans-dehydroretinal + + + 4'-methoxyflavanones - + - - - - ajugose + + + + glucuronoxylan D-glucuronate polyanion - + - - - - - - - - - epsilon-caprolactam + + + + glucuronoxylan 4-O-methyl-D-glucuronate polyanion - + - - - - - 4-carboxy-4'-sulfoazobenzene + + + + hydroxy polyunsaturated fatty acid - + - - - - verbascose + + + substituted beta-amino acid zwitterion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - guaiacol + + + phosphatidic acid 40:6 - + - - - - - - - - - siroheme + + + phosphatidic acid 38:4 - + - - - - - - - - - - - - - - - - - - - - - - - farnesol + + + 7-methoxyisoflavones - + - - - - - - - - - - - - - - - beta-D-fructofuranose 2,6-bisphosphate + + + N(4)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue - + - - - - - - - - - - - carbamic acid + + + monosaccharide 1-phosphate(2-) - + - - - - - - - - - 1,4-dichlorobenzene + + + UDP-monosaccharide(2-) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - acrylamide + + + N(4)-[6-(N-acetyl-alpha-D-glucosaminyl-1-phospho)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue(1-) - + - - - - - - - - - - - - - - - - - triethanolamine + + + N(4)-[6-phospho-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue - + - - - - - - - - - tetrahydrofolyl-poly(glutamic acid) macromolecule + + + 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-) - + - - - - - - - - - - - - - - - - - - - - - - 3-phenylpropionic acid + + + 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-) - + - - - - - - - - - - - 2-isopropylmalic acid + + + (2S)-flavan-4-one - + - - - lipoteichoic acid + + + + an aldopyranose - + - - - - - - - - - beta-D-fructofuranose + + + + an aldono-1,5-lactone - + - - - - 3-O-methylgallic acid + + + (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate - + - - - - - - - - - - phosphorus atom + + + (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate - + - - - - - - - - - - + + + (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate + + + + + + + + + - + + (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid + + + + + + + + - + - leukotriene D4 + (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid - + - - - dextrin + + + (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - cytarabine + + + + + (3R)-3-hydroxybutanoic acid oligomer - + - - - - - - - - - - - - - - - - - - - - - N,N'-diacetylchitobiose + + + poly(nucleoside 5'-monophosphate) polyanion - + - - - - - - - - - - - kynurenine + + + + + specialised pro-resolving mediator - + - - - - - - - - - molybdenum atom + + + N-acyl-1-[(1Z)-alkenyl]-sn-glycero-3-phosphoethanolamine(1-) - + - - - - - - - - - - - - - - - - - - - - - - - dehydroepiandrosterone + + + 2,4,6-trichlorophenolate - + - - - - - - - - - - - - - - - copper atom + + + [(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine - + - - - 21-deoxycortisol + + + GDP-6-deoxy-alpha-D-altrose(2-) - + - - - cyclic 2,3-bisphospho-D-glyceric acid + + + + + 3-[(Z)-2-isocyanovinyl]indole - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - (9Z)-hexadecenoic acid + + + + + 3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole - + - - + + + + - + - D-glycero-D-manno-heptose 7-phosphate + hapalindole H - + - - - - - - - - + + + + - + - picolinic acid + 12-epi-hapalindole U - + - - - - - - - - - + + + + - + - doxorubicin + 12-epi-fischerindole U - + - - - aryl beta-D-glucoside + + + linoleoyl-sn-glycero-3-phosphocholine - + - - - - - - - - - fructose + + + alpha-linolenoyl-sn-glycero-3-phosphocholine - + - - - - 4,4'-dichlorodiphenylmethane + + + + ricinoleoyl-sn-glycero-3-phosphocholine - + - - - phosphatidylinositol phosphate + + + N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine(1-) - + - - - 2-deoxy-D-ribose 1,5-bisphosphate + + + 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate(2-) - + - - - - - - - - - - - - - - - - - - - - - - p-cymene + + + O-[S-(5-bromopyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - nitroglycerin + + + O-[S-(4,5-dibromopyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - - - - - - - - - - - - - - - - - - - - - - - serotonin + + + O-[S-(3,4,5-tribromopyrrole-2-carbonyl)pantetheine-4'-phosphoryl]serine(1-) residue - + - - - beta-D-glucan + + + hederagenin(1-) - + - - - fructan + + + gypsogenin(1-) - + - - - - - - - - - N-acetylgalactosamine + + + gypsogenate(2-) - + - - - flavonols + + + + + triricinolein - + - - - - - - - - - - - - - - - - dITP + + + tropomyosin-related kinase B receptor agonist - + - - - - - - - - - mannan + + + O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-2-O-phospho-xylosyl)-L-serine(2-) residue - + - - - - - - - - - - - sinapyl alcohol + + + O(3)-(beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-2-O-phospho-xylosyl)-L-serine(3-) residue - + - - - - - - - - - - - - - - - heparan sulfate + + + 12,18-didecarboxysiroheme(6-) - + - - - - - - - - - dodecane + + + + dihydro-ferroheme d1(4-) - + - - - - - - - - - - - fluoromethane + + + 6-chloro-D-tryptophan zwitterion - + - - - - aminophenol + + + + + 6-chloro-D-tryptophan - + - - - - - - - - - - - - - - - propan-1-ol + + + + + 6-chlorotryptophan - + - - - - - - - - - - - - - - - - - - - - - - octanoic acid + + + 13-methyltetradecenal - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - octadecanoic acid + + + [(1->4)-alpha-D-galacturonosyl methyl ester](n) - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - dCDP + + + [(1->4)-alpha-D-galacturonosyl](n) - + - - - - - - - - - - - - - - - - dUDP + + + sn-1,2-diricinolein - + - - - - - - - - - - - - - - - - - phenanthrene + + + 1,2-dihexanoyl-sn-glycerol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2,4-D + + + 1,2-dihexanoyl-3-oleoyl-sn-glycerol - + - - - - - - - - - - - - - - - - - - enterobactin + + + + 6-methylthioguanine - + - - - p-toluate + + + GDP-6-deoxy-alpha-D-altrose - + - - - - - - - - - - - dGDP + + + + N-arachidonoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) - + - - - - - - - - - - - - - - - - - - - - - tobramycin + + + 3-acetamido-4-hydroxybenzoate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - tetracosanoic acid + + + 3-acetylamino-4-hydroxybenzaldehyde(1-) - + - - - - fatty acid anion + + + TRPV1 agonist - + - - + + + diethylphosphate(1-) + + + + + + + + - + - menadione + N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose derivative - + - - - phosphatidylinositol + + + + (1->4)-3,6-bis(phospho)-alpha-D-glucan polyanion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - tetradecanoic acid + + + + delta-cadinene - + - - - (S)-mevalonic acid + + + + + heparan sulfate alpha-D-N-sulfoglucosamine polyanion - + - - - 2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose + + + alpha-D-glucosyl-L-tyrosyl residue - + - - - - - - - - - - - - - - - - - - - - - - butan-1-ol + + + (1,4-alpha-D-glucosyl)(n)-L-tyrosyl residue - + - - - dimethyl ether + + + alpha-D-xylose-(1->3)-beta-D-glucose-L-seryl residue - + - - - - - - - - - coenzyme B + + + beta-D-glucose-L-seryl residue - + - - - - - - - oxanthrene + + + beta-D-glucose-L-threonyl residue - + - - - - ganglioside + + + alpha-D-xylose-(1->3)-beta-D-glucose-L-threonyl residue - + - - - - - - - - - - - - - - - - - - - - - pentadecane + + + N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine - + - - - - - - - - - - - - - - - - - - - iprodione + + + ethanediol derivative - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - vitamin D2 + + + 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate - + - - - - - - - - - (-)-abscisic acid + + + monosubstituted aliphatic (S)-cyanohydrin - + - - - - - - - - - - - - - - - - - - - - - - - - ammonium + + + disubstituted aliphatic (S)-cyanohydrin - + - - - - - - - - - - - - - calciol + + + alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-seryl residue - + - - - (9S,10S)-9,10-dihydrophenanthrene-9,10-diol + + + alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-threonyl residue - + - - - amino sugar + + + fatty acid 4:0 - + - - - - dicarboxylic acid dianion + + + + 3-acetamido-4-hydroxybenzoic acid - + - - - chlorophyll + + + + + heparan sulfate alpha-D-glucosaminide 6-sulfate polyanion - + - - - - - - - - - - carbonic acid + + + tetrahydrosulfopterin - + - - - - aluminium atom + + + + 5,10-methylenetetrahydrosulfopterin - + - - - - - - - - - 2,4-dichlorobenzoate + + + S-(ADP-D-ribosyl)-L-cysteinyl residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2'-deoxyinosine + + + + + 4'-hydroxyechinenone - + - - - - - - - - - - cyclohexane + + + L,L-homocystine zwitterion - + - - - - - - - - - - - - - - - - cordycepin + + + + alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Ceramide - + - - - - - - - - - - - - - - - - arginine + + + + alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine - + - - - - - - - - - - - - - - - - hexane + + + + N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Ceramide - + - - - - glucobrassicin + + + N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine - + - - - - - - - - - - - - - - - (R)-pantothenate + + + + alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide - + - - - - - - - - - - - - - - - - - - - - - - - iron(2+) + + + + alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine - + - - - - - - - - - - - - - - - - - - - - - - iron(3+) + + + + Monosialyl-Gb5(1-) - + - - - - - copper(2+) + + + + Disialosyl Gb5(2-) - + - - - keratan + + + + 5-chlorocarbonyl-4-hydroxy-penta-2,4-dienoate - + - - - - carboxylic acid anion + + + + RNA(n)-3'-adenine ribonucleotide polyanion - + - - - - - - - - - phthalic acid + + + + RNA(n)-3'-uridine ribonucleotide polyanion - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - L-ascorbic acid + + + dialurate - + - - - mononucleotide + + + 5-methylaminomethyl-S-(2E)-geranyl-thiouridine 5'-monophosphate zwitterion residue - + - - - (2->1)-beta-D-fructan + + + 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate - + - - - - - - - - - - - - sodium(1+) + + + + 3-oxochol-4,6-dien-24-oyl-CoA(4-) - + - - - - - - - - - - - - potassium(1+) + + + + 12alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA(4-) - + - - - - - - - - - - - zinc(2+) + + + + 7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA(4-) - + - - - methanophenazine + + + + 7beta-hydroxy-3-oxochol-24-oyl-CoA(4-) - + - - - arsenate(3-) + + + + 7beta-hydroxy-3-oxochol-4-en-24-oyl-CoA(4-) - + - - - hydrogenperoxide(1-) + + + dihydro-4-coumaroyl-CoA(4-) - + - - - - - - - - - - cyanate + + + dihydroferuloyl-CoA(4-) - + - - - - - - - - - - - thiocyanic acid + + + rhizobitoxine - + - - - - isocyanic acid + + + dihydrorhizobitoxine - + - - - sulfinic acid + + + poly(2,5-ethylene furandicarboxylate)(1-) - + - - - sulfonic acid + + + (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate - + - - - - - hypochlorite + + + (2E)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoate - + - - - - hydrogen fluoride + + + 4-[(E)-2-isocyanoethenyl]phenol - + - - - silicate(4-) + + + (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate - + - - - - arsenite(1-) + + + + + 3-[(E)-2-isocyanovinyl]indole - + - - - - arsenite(2-) + + + 16alpha-hydroxy-beta-amyrin - + - - - dihydrogenborate + + + N-terminal S-1,2-diacyl-sn-glyceryl-L-cysteine(1+) residue - + - - - hydrogenborate + + + N-acyl-S-1,2-diacyl-sn-glyceryl-L-cysteine residue - + - - - - - - - - - thiol + + + S-1,2-diacyl-sn-glyceryl-L-cysteine residue - + - - - - dihydrogenphosphite + + + a 2-acyl-sn-glycero-3-phospholipid - + - - - - hydrogenphosphite + + + 2,4-diacetylphloroglucinol(1-) - + - - - tRNA(Sec) + + + N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion - + - - - dinitride(2-) + + + S-(2-sulfodisulfanyl)-L-cysteine(1-) residue - + - - - - alkyl sulfate + + + 3-hydroxyacyl derivative of bacterial toxin - + - - - gold atom + + + + 4',4'-dihydroxyechinenone - + - - - - azanide + + + 4-hydroxy-all-trans-beta-carotene - + - - - - hydridonitrate(2-) + + + 4,4-dihydroxy-all-trans-beta-carotene - + - - - monocarboxylic acid amide + + + beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer - + - - - methanediide + + + alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer - + - - - peroxy group + + + + alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer - + - - - - oxonium + + + D-5-phenylhydantoin - + - - - methanide + + + N-carbamoyl-D-phenylglycine(1-) - + - - - hydrogen azide + + + + beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-alpha-D-galactosaminide(1-) - + - - - - - - - - - - - - - - - - - pyochelin + + + lysophosphatidylcholine P-16:0 - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - sodium arsenite + + + 4-[(1->4)-alpha-D-glucosyl]n-D-glucose - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - tunicamycin + + + 1-[(1->4)-alpha-D-glucosyl]n-alpha-D-glucopyranoside - + - - - - - - - - - - - - - - - - - tyrocidine A + + + alkylcob(III)alamin - + - - - - - - - - - - - - - - - - lithocholate + + + + alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer - + - - - - - - - - - chorismate(2-) + + + dTDP-D-galactose - + - - - ferulate + + + TG(18:2/18:2/18:2) - + - - - arsonate(2-) + + + glioma-associated oncogene inhibitor - + - - - - nitro group + + + + omega-methyl-long-chain fatty acid anion - + - - - hydroperoxy group + + + + omega-hydroxy-long-chain fatty acid anion - + - - - hydridodioxygen(1+) + + + + omega-hydroxy-long-chain fatty acid - + - - - - - - - - - - - - - - - glycolate + + + + (6S)-5,6,7,8-tetrahydrofolyl-poly(gamma-glutamate) macromolecule - + - - - - - - - - - - - - - - - - - - - - - - fumarate(2-) + + + cob(II)inamide - + - - - arsonic acid + + + a pyrimidine ribonucleoside - + - - - - - - - - - - - - - - - - - - - - - - - - - - - mannitol + + + deamido-NAD zwitterion - + - - - - arsenite(3-) + + + acyl-AMP(1-) - + - - - thiol group + + + (R)-3-hydroxyisobutyrate - + - - - - - - - - - - - - - - - hydrosulfide + + + (R)-methylmalonate semialdehyde - + - - - sulfo group + + + + N-carbamoyl-D-phenylglycine - + - - - hydrogenselenite + + + (6E)-nerolidol - + - - - - - - - - - (1s,4s)-prephenate(2-) + + + monoacyl-3-O-(beta-D-galactosyl)-sn-glycerol - + - - - - - - - - - - - - - - - - - - - - - - quinolinate(2-) + + + dihydrodipicolinate(2-) - + - - - - - L-lysine residue + + + 4-hydroxy-L-lysine(1+) - + - - - D-lysine residue + + + + dihydromonacolin L - + - - - - L-lysinium residue + + + 3-hydroxy-D-kynurenine zwitterion - + - - - D-lysinium residue + + + hapalindole-type alkaloid - + - - - - - - - - - + + - - - - - - - + - L-glutamate(1-) + hapalindole - + - - - D-glutamate(1-) + + + fischerindole alkaloid - + - - - - - - - - - glutamate(2-) + + + L-tyrosinal(1+) - + - - - - L-glutamate(2-) + + + N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-ceramide(1-) - + - - - D-glutamate(2-) + + + N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(5-) - + - - - - - - - - - - - - - - - D-aspartate(1-) + + + L,L-homocystine - + - - - - - - - - - - - - - - - - L-aspartate(1-) + + + N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(4-) - + - - - - - - - - - - L-aspartate(2-) + + + N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) - + - - - D-aspartate(2-) + + + beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) - + - - - - - - - - - - aspartate(2-) + + + N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) - + - - - - - - - - - trans-sinapate + + + N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) - + - - - - - - - - - - - - - - - - - succinate(2-) + + + 2-hydroxydodecanoate - + - - - teichoic acid + + + + 1D-myo-inositol bis(diphosphate) tetrakisphosphate - + - - - - gibberellin A12 + + + 3-hydroxybutane-1,2,3-tricarboxylate - + - - - - - - - - - - - - - - - acetate + + + + 5-hydroxy-L-lysinium residue - + - - - diazene + + + + 3-hydroxy-L-asparagine residue - + - - - diazenide + + + 5'-end NTP-ribonucleotide(5-) residue - + - - - azo group + + + hydroxy-L-argininium residue - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - benomyl + + + 3-hydroxyaspartic acid residue - + - - - 6,7-dihydropteridine + + + + 3-hydroxy-L-aspartic acid residue - + - - - - - - - - - - - - - - - - - - kaempferol 3-O-beta-D-glucoside + + + + + (-)-eremophilene - + - - - photon + + + 8-methylmenaquinone - + - - - - - - - - + + + + erythrulose 1-phosphate + + + + + + + + - + - linoleate + 24G7 epitope - + - - - thiocarbonyl group + + + purine 2'-deoxyribonucleoside 5'-phosphate(2-) - + - - - - - - - - - - - - - - - cyromazine + + + pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) - + - - - - antimonite + + + ditrans,polycis-dodecaprenyl phosphate(2-) - + - - - - - - - - - - - - - - - lipoate + + + hexahydronaphthalenes - + - - - - isopropyl group + + + purines D-ribonucleoside - + - - - - isobutyl group + + + + purines 2'-deoxy-D-ribonucleoside - + - - - - - - - - - isopentane + + + ditrans,polycis-dodecaprenyl phosphate - + - - - - - - - - - - - - - - - - isobutane + + + trans-feruloylacetyl-CoA(4-) - + - - - - iron-sulfur cluster + + + arylkylammonium - + - - - - - - - - - - - - - - - iron-sulfur-molybdenum cofactor + + + S-alkyl-L-cysteine S-oxide zwitterion - + - - + + + guanosine 3'-diphosphate 5'-triphosphate hexaanion + + + + + + + + + + gamma-carboxy-L-glutamate(3-) + + + + + + + + + feruloyl-CoA + + + + + + + + + + flavonol 3-O-glycoside + + + + + + + + - + - + + 3-(3-hydroxyphenyl)propanoic acid + + + + + + + + + - + - cobalamin + fluoroacetaldehyde - + - - - monoatomic dication + + + formyl phosphate(1-) - + - - - - + + + - + + D-glucose 6-phosphate + + + + + + + + - + - heme + glutamate(1-) - + - - - tetrahydropterin + + + + + + + + + + + + + + + glycerol 1-phosphate - + - - - - tellurium atom + + + + + + + + + 3-(methylthio)propionic acid - + - - - tellurous acid + + + hyponitrous acid - + - - - tellurite + + + + + imidazole - + - - - - - sulfonium + + + + + isomethyleugenol - + - - - silver atom + + + 3-acylpyruvic acid - + - - - - antimony atom + + + 3-amino-2-oxopropyl phosphate - + - - - caesium atom + + + methylarsonite - + - - - 1-aminocyclopropanecarboxylate + + + + + + + + + + 3-phosphonatoshikimate(3-) - + - - - flavin + + + + 3-butynoic acid - + - - - - vanadium oxoanion + + + NMN(+) - + - - + + - + - + - pimelic acid + NMN(-) - + - - - silicon dioxide + + + (2S)-2-isopropyl-3-oxosuccinic acid - + - - - - - - - - - gamma-aminobutyrate + + + 3-chloro-cis,cis-muconic acid - + - - - thyroxine zwitterion + + + pantoic acid - + - - - - silicon(4+) + + + acetylacetone - + - - - - - - - - - D-glucarate(2-) + + + + prephytoene diphosphate - + - - - - - - - - + + - + - glucarate(2-) + (-)-dihydrocarveol - + - - + + + N(6)-lipoyl-L-lysine residue + + + + + + + + + N(6)-(S(8)-aminomethyldihydrolipoyl)-L-lysine residue + + + + + + + + + + + pyrazole + + + + + + + + + (-)-isodihydrocarveol + + + + + + + + + electron donor + + + + + + + + + dihydroriboflavins + + + + + + + + + - - - - - - - ATP(4-) + retinal - + - - - MgATP(2-) + + + + retinoate - + - - - + + - - - - - - - + - oxalate(2-) + retinyl palmitate - + - - + + + - + + riboflavin cyclic 4',5'-phosphate + + + + + + + + + + 3-fumarylpyruvic acid + + + + + + + + + - L-pipecolate + selenate - + - - - - - - - - - homoserine + + + D-threo-isocitric acid - + - - - - D-homoserine + + + sulfide(2-) - + - - - - D-thyroxine + + + + tartrate(2-) - + - - - - - - - - - - - - - thyroxine + + + (+)-neodihydrocarveol - + - - - - - thyronine + + + taxuyunnanin C - + - - - + + + + tetrathionate(2-) + + + + + + + + + + thiomorpholine-3-carboxylate + + + + + + + + + threonate + + + + + + + + + + thymidine 5'-monophosphate + + + + + + + + + + trichlorophenols + + + + + + + + + triphosphate ion + + + + + + + + + (-)-neoisodihydrocarveol + + + + + + + + + - + - oxaloacetic acid + xanthine - + - - - + + - + + zeatin + + + + + + + + + - + + N(alpha)-methyl-L-tryptophan + + + + + + + + + - + - + + 5,7-dihydroxy-4'-methoxyflavone + + + + + + + + + beta-alanopine + + + + + + + + + acceptor + + + + + + + + + beta-D-glucosiduronic acid + + + + + + + + - + - + + acenaphthoquinone + + + + + + + + - + - + - + - phenylacetic acid - - - - - - - - - + - + - + - + - + - + - + - benzoic acid + acetaldehyde - + - - - + + + - + - 2,4-dichlorobenzoic acid + acetoacetic acid - + - - + + - + - + + acetoacetyl-CoA + + + + + + + + - + - + - + - formic acid + coenzyme A - + - - + + + + + - + - + - 4-aminobenzoic acid + + + + + + + acetone - + - - + + + 2-hydroxy-2-methylpropanenitrile + + + + + + + + + acetone oxime + + + + + + + + - + - + @@ -38592,135 +31186,106 @@ - anthranilic acid + acetyl dihydrogen phosphate - + - - + + - + - salicylate - - - - - - - - - + - tropic acid - - - - - - - - - (S)-tropic acid - - - - - - - - - (R)-tropic acid - - - - - - - - - - + - propionic acid + + + + + + + acetyl-CoA - + - - + + + - + - + - + - + - citric acid + blasticidin S - + - - - + + - + - + + + + + + + + + + + + + - butyric acid - - - - - - - - - @@ -38730,461 +31295,418 @@ - + - hexanoic acid - - - - - - - - - + - + + choline + + + + + + + + + - + - + - + - + - + - + - gallic acid + acetylcholine - + - - - + + + + + + + + + - succinate(1-) + cysteine - + - - - + + - - - - - - - maleate(2-) + acetylenedicarboxylate(2-) - + - - - - - - - - - malonic acid + + + histone - + - - - malonate(1-) + + + acetylpyruvate - + - - + + - + - phthalate(1-) + pyruvate - + - - - + + + hydroxyacetone phosphate + + + + + + + + + + + + N-acetylindoxyl + + + + + + + + + + + propynoate + + + + + + + + + + - + - + - + - dodecanoic acid - - - - - - - - - - - - - - + - + - tetradecanoate - - - - - - - - - + - + - + - oleate - - - - - - - - - - + - + - + - + - 4-hydroxybutyric acid - - - - - - - - - - 2-oxobutanoic acid + acetylsalicylic acid - + - - - - - - - - + + - + - adipic acid - - - - - - - - - + - adipate(1-) - - - - - - - - - + - + - allantoic acid + acetic acid - + - - + + - + - + - orotate - - - - - - - - - urate(1-) - - - - - - - - - + - + - + - L-arabinose - - - - - - - - - + - + - + - keto-phenylpyruvic acid - - - - - - - - - galactaric acid + all-trans-retinoic acid - + - - - - + + - + - + - glycyrrhetinic acid + + + + + + + acrolein - + - - + + + actinomycin + + + + + + + + + + + + 3-oxopristanoyl-CoA + + + + + + + + + + - + - + + + + + + + @@ -39193,88 +31715,156 @@ - indole-3-acetate + 5,6,7,8-tetrahydrobiopterin - + - - + + - + - methylmalonic acid + + + + + + + biopterin - + - - + + + - methylmalonate(1-) + 4a-hydroxytetrahydrobiopterin - + - - - alcohol + + + D-erythro-7,8-dihydrobiopterin - + - - + + + + - + - isocitric acid - - - - - - - - - + - glucitol + + + + + + + + + + + + + + + + + + + + + + + + + water - + - - + + + + + + hydron + + + + + + + + + + - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -39283,845 +31873,928 @@ - L-pipecolic acid + + + + + + + dioxygen - + - - + + - + - 2-oxoglutaric acid + + + + + + + + + + + + + succinyl-CoA - + - - + + - + - 2-oxoglutarate(1-) + (4R)-limonene - + - - - + + + (4S)-limonene + + + + + + + + + - glutarate(2-) + limonene - + - - - + + + + (+)-delta-cadinene + + + + + + + + - + + (3S,4R)-3,4-dihydrophenanthrene-3,4-diol + + + + + + + + + (+)-cis-sabinol + + + + + + + + + (+)-trans-carveol + + + + + + + + - + - 2,3-dihydroxybutanedioate + (-)-trans-carveol - + - - - 6-aminopenicillanate + + + (+)-bisdechlorogeodin - + - - - 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate + + + (-)-bisdechlorogeodin - + - - - ascarylose + + + (1R)-bornane-2,5-dione - + - - - biguanide + + + (+)-borneol - + - - - - - azetidine + + + (-)-borneol - + - - - - bile acid + + + + (+)-bornyl diphosphate - + - - - 4,4'-bipyridine + + + (R)-camphor - + - - - + + + (S)-camphor + + + + + + + + + (+)-exo-5-hydroxycamphor + + + + + + + + + (+)-carvone + + + + + + + + + (+)-dihydrocarvone + + + + + + + + + (-)-carvone + + + + + + + + + + + - + - valerate + (+)-dihydrokaempferol - + - - - - - + + + (+)-neomenthol + + + + + + + + + + (+)-sabinone + + + + + + + + + (-)-homoisocitrate(3-) + + + + + + + + + - + - + - lignocerate + (-)-endo-fenchol - + - - + + + (-)-trans-isopiperitenol + + + + + + + + + - - + + - + - + - carboplatin - - - - - - - - - - delphinidin 3-O-beta-D-glucoside - - - - - - - - - - - + - + - + + (-)-ephedrine + + + + + + + + + (-)-isopiperitenone + + + + + + + + - + - + - + - ecgonine methyl ester + (-)-menthol - + - - + + + (-)-menthone + + + + + + + + + (-)-menthyl beta-D-glucoside + + + + + + + + - + - + - bradykinin + (-)-ureidoglycolic acid - + - - - - - + + + - + - + - kainic acid - - - - - - - - - + - N-acetyl-L-2-aminoadipic acid + 2',4,4',6'-tetrahydroxychalcone - + - - - + + - + - pelargonidin 3-O-beta-D-glucoside - - - - - - - - - + - N,N-dimethylethanolamine phosphate - - - - - - - - - + - + - palmitoleate - - - - - - - - - + - 4-coumarate - - - - - - - - - (R)-mandelate - - - - - - - - - alpha-linolenate + S-adenosyl-L-methionine - + - - - - - - - - - - - arachidonate + + + ent-kaurene - + - - - D-glyceric acid + + + ent-kaur-16-en-19-ol - + - - + + - + - catecholate(2-) - - - - - - - - - - + - L-alaninate - - - - - - - - - + - L-alaninium + ent-kaur-16-en-19-oic acid - + - - - - - - - - - D-alaninate + + + ent-kaur-16-en-19-al - + - - - - - - - - - D-alaninium + + + ent-7alpha-hydroxykaur-16-en-19-oic acid - + - - + + - + - alaninate - - - - - - - - - + - alaninium + perillyl alcohol - + - - - + + + - + - L-cysteinate(1-) - - - - - - - - - + - L-cysteinate(2-) - - - - - - - - - + - L-cysteinium + perillyl aldehyde - + - - + + + - + - + - all-trans-neoxanthin - - - - - - - - - D-cysteinate(1-) + ATP - + - - - - - - - - - D-cysteinate(2-) + + + clavaminic acid - + - - - - - - - - - D-cysteinium + + + dihydroclavaminic acid - + - - - - cysteinate(1-) + + + + proclavaminic acid - + - - - cysteinate(2-) + + + + + + deoxyamidinoproclavaminic acid - + - - - cysteinium + + + + + N(2)-(2-carboxyethyl)-L-arginine - + - - - + + + + - + - + - + - L-phenylalaninate + + + + + + + + + + + + + + + + + + + + + + + + + glycine - + - - + + - + - + - + - L-phenylalaninium + + + + + + + + + + + + + + + + + + + + + + + + + hydroxylamine - + - - - - + + - + - fumagillol + + + + + + + + + + + + + + + + + + + protoporphyrin - + - - - D-phenylalaninate + + + + magnesium protoporphyrin - + - - - D-phenylalaninium + + + + + magnesium protoporphyrin 13-monomethyl ester - + - - - - phenylalaninate + + + + + magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester - + - - - phenylalaninium + + + + + magnesium 13(1)-hydroxyprotoporphyrin 13-monomethyl ester - + - - + + - + - glycinium - - - - - - - - - + - glycinate + protoporphyrinogen - + - - + + - + @@ -40130,19 +32803,29 @@ - L-histidinate(1-) + uroporphyrinogen III - + - - + + + + coproporphyrinogen + + + + + + + + - + @@ -40151,15 +32834,21 @@ - L-histidinate(2-) + coproporphyrinogen III - + - - + + + + + + + + @@ -40169,18 +32858,30 @@ - + - L-histidinium(2+) + + + + + + + squalene - + - - + + + + + + + + @@ -40190,146 +32891,256 @@ - + - L-histidinium(1+) + (S)-2,3-epoxysqualene - + - - + + + - + - D-histidinate(1-) + presqualene diphosphate - + - - + + + inulin + + + + + + + + + (1->4)-alpha-D-glucan + + + + + + + + + [(1->4)-alpha-D-galacturonosyl]n + + + + + + + + + + (1->4)-beta-D-xylan + + + + + + + + + (1-hydroxycyclohexyl)acetyl-CoA + + + + + + + + + + + - + - D-histidinate(2-) + (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA - + - - + + + (2R)-2-methylacyl-CoA + + + + + + + + + (2S)-2-methylacyl-CoA + + + + + + + + - + - D-histidinium(1+) + (R)-3-hydroxybutanoyl-CoA - + - - + + - + - D-histidinium(2+) + + + + + + + (S)-3-hydroxybutanoyl-CoA - + - - - histidinate(1-) + + + (3S)-3-carboxy-3-hydroxypropanoyl-CoA - + - - - histidinate(2-) + + + (S)-3-hydroxyacyl-CoA - + - - - histidinium(1+) + + + (R)-3-hydroxyacyl-CoA - + - - - histidinium(2+) + + + citramalyl-CoA - + - - - - - - - - - - - - - - - nicotinate + + + (3S)-citryl-CoA - + - - - + + + + trans-tetradec-11-enoyl-CoA + + + + + + + + + + + cis-tetradec-11-enoyl-CoA + + + + + + + + + cinnamoyl-CoA + + + + + + + + + + (E,E)-piperonyl-CoA + + + + + + + + - + + (R)-methylmalonyl-CoA + + + + + + + + - + @@ -40338,328 +33149,338 @@ - L-lysinate + (S)-methylmalonyl-CoA - + - - - + + + - - - - - - - + - + - L-lysinium(1+) + (3S)-3-hydroxy-3-methylglutaryl-CoA - + - - + + - + - + - + - L-lysinium(2+) + 3'-dephospho-CoA - + - - - - - - - - - - - - - - - D-lysinate + + + + alk-2-enoyl-CoA - + - - - - - - - - + + - + - D-lysinium(1+) + 3-hydroxykynurenine - + - - + + + 2,4-dichlorobenzoyl-CoA + + + + + + + + + - + - + - D-lysinium(2+) - - - - - - - - - lysinate + trans-dodec-2-enoyl-CoA - + - - - lysinium(1+) + + + anthraniloyl-CoA - + - - - lysinium(2+) + + + crotonoyl-CoA - + - - - lysine residue + + + 2-furoyl-CoA - + - - - lysinium residue + + + + + + 2-hydroxyphytanoyl-CoA - + - - - 2-hydroxybenzoyl-CoA + + + + + + + + + 2-methylacetoacetyl-CoA - + - - - - - CCCP + + + + 2-methylbutanoyl-CoA - + - - - - tetracene + + + + 2-methylcrotonoyl-CoA - + - - - - - - - - - + + + - + - + - L-isoleucinate + isobutyryl-CoA - + - - - - - - - - - - - - - - + + + 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA + + + + + + + + + 3-hydroxy-2-methylpropanoyl-CoA + + + + + + + + + 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA + + + + + + + + + 3-hydroxybenzoyl-CoA + + + + + + + + + - + - L-isoleucinium + 3-hydroxypimeloyl-CoA - + - - + + + + + - + - D-isoleucinate + 3-methylbut-2-enoyl-CoA - + - - + + - + + isovaleryl-CoA + + + + + + + + - + - D-isoleucinium + trans-3-methylglutaconyl-CoA - + - - - isoleucinate + + + 3-oxo-fatty acyl-CoA - + - - - isoleucinium + + + 3-hydroxymonocarboxylic acid - + - - - - - - - - - + + - + @@ -40668,25 +33489,19 @@ - L-leucinate + 3-oxoadipyl-CoA - + - - - - - - - - + + - + @@ -40695,1298 +33510,1440 @@ - L-leucinium - - - - - - - - - - - - - - - - - - - - - D-leucinate + 3-oxopalmitoyl-CoA - + - - + + - - - - - - - + - D-leucinium + 3-oxopimeloyl-CoA - + - - + + - + - + - 1,4-butanediammonium - - - - - - - - - - leucinate - - - - - - - - - leucinium + 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA - + - - + + - + - + - + - L-methioninate + 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA - + - - - - - - - - - - - - - - - L-methioninium + + + + + 4,8,12-trimethyltridecanoyl-CoA - + - - - - - - - - - - - - - - - D-methioninate + + + 4-aminobutanoyl-CoA - + - - + + - - - - - - - + - D-methioninium + trans-4-carboxybut-2-enoyl-CoA - + - - - - methioninate + + + + 4-chlorobenzoyl-CoA - + - - - methioninium + + + + 4-coumaroyl-CoA - + - - - - L-asparaginate + + + (-)-isodihydrocarvone - + - - - L-asparaginium + + + 4-hydroxybenzoyl-CoA - + - - - D-asparaginate + + + 5-hydroxypentanoyl-CoA - + - - - D-asparaginium + + + 5-hydroxythiophene-2-carbonyl-CoA - + - - - asparaginate + + + + 2,3-didehydropimeloyl-CoA - + - - - asparaginium + + + + + + + + + pimeloyl-CoA - + - - - - L-glutaminate + + + 6-hydroxycyclohex-1-ene-1-carbonyl-CoA - + - - - L-glutaminium + + + beta-alanyl-CoA - + - - - D-glutaminate + + + + + + + + + gamma-linolenoyl-CoA - + - - - D-glutaminium + + + + + + + + + 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA - + - - - glutaminate + + + 5-hydroxy-2-furoyl-CoA - + - - - glutaminium + + + trans-feruloyl-CoA - + - - - - L-argininate + + + L-3-aminobutanoyl-CoA - + - - - - - - - - + + + - + - L-argininium(1+) - - - - - - - - - L-argininium(2+) + acryloyl-CoA - + - - - D-argininate + + + + + + arachidonoyl-CoA - + - - + + - + - D-argininium(1+) + benzoyl-CoA - + - - - D-argininium(2+) + + + biotinyl-CoA - + - - - argininate + + + + + + + + + + + + + + + butyryl-CoA - + - - - argininium(1+) + + + caffeoyl-CoA - + - - - argininium(2+) + + + choloyl-CoA - + - - - - - - - - - - - - - - - - L-tryptophanate + + + cyclohexa-1,5-diene-1-carbonyl-CoA - + - - + + - + - + - L-tryptophanium + lauroyl-CoA - + - - + + - + - D-tryptophanate + formyl-CoA - + - - + + - + - D-tryptophanium + cis-geranoyl-CoA - + - - - tryptophanate + + + + + + + + + glutaryl-CoA - + - - - tryptophanium + + + + + + + + + + + + + + + + + + palmitoyl-CoA - + - - - selenocysteinate(1-) + + + + + + + + + + icosanoyl-CoA - + - - - selenocysteinate(2-) + + + + + + + + + + itaconyl-CoA - + - - - selenocysteinium + + + lactoyl-CoA - + - - - + + + - + - L-tyrosinate(1-) + linoleoyl-CoA - + - - + + - + - L-tyrosinate(2-) + + + + + + + + + + + + + + + + + + + malonyl-CoA - + - - + + + - + - L-tyrosinium + + + + + + + myristoyl-CoA - + - - + + + + + + + + - D-tyrosinate(1-) + octanoyl-CoA - + - - + + + + + + + + - D-tyrosinate(2-) + oleoyl-CoA - + - - + + - D-tyrosinium + oxalyl-CoA - + - - - tyrosinate(1-) + + + pentanoyl-CoA - + - - - tyrosinate(2-) + + + + + + + + + + + + + + + + + + + + + phenylacetyl-CoA - + - - - tyrosinium + + + phytanoyl-CoA - + - - - + + - + - + - tyraminium + + + + + + + propionyl-CoA - + - - - - (S)-mandelic acid + + + + sinapoyl-CoA - + - - - - (S)-4-hydroxymandelic acid + + + + + + + + + + + + + + + + stearoyl-CoA - + - - - (R)-4-hydroxymandelic acid + + + thiophene-2-carbonyl-CoA - + - - - - 4-hydroxymandelate + + + vinylacetyl-CoA - + - - - + + - + - o-orsellinic acid + + + + + + + + + + + + + + + + + + + prostaglandin E1 - + - - - - enol-phenylpyruvic acid + + + prostaglandin A1 - + - - - - - - - - - pyruvic acid + + + prostaglandin C1 - + - - - keto-3-deoxy-D-manno-octulosonic acid + + + 15-dehydro-prostaglandin E2 - + - - - + + + 15-dehydro-prostaglandin E1 + + + + + + + + + 13,14-dihydro-15-oxo-prostaglandin E2 + + + + + + + + - + - + - + - L-threoninate + prostaglandin E2 - + - - + + - + + prostaglandin I2 + + + + + + + + + - + - + - L-threoninium + prostaglandin F2alpha - + - - + + + + + - + - D-threoninate + prostaglandin H2 - + - - + + - + - D-threoninium + + + + + + + prostaglandin D2 - + - - - threoninate + + + 15-dehydro-prostaglandin I2 - + - - - threoninium + + + 15-dehydro-prostaglandin D2 - + - - - - L-serinate + + + + + + + + + + + + + + + 15(S)-HETE - + - - - L-serinium + + + + + + + + + 15-oxo-ETE - + - - - D-serinate + + + + + (15Z)-12-oxophyto-10,15-dienoic acid - + - - - D-serinium + + + cis-1,2-dihydronaphthalene-1,2-diol - + - - + + - serinate + D-threo-isocitrate(3-) - + - - + + - serinium + D-erythro-isocitrate(3-) - + - - - - - - - - - - L-valinate + + + (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid - + - - - - - - - - - L-valinium + + + (1S,2R)-3-methylcyclohexa-3,5-diene-1,2-diol - + - - - - - - - - - D-valinate + + + (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid - + - - - - - - - - - D-valinium + + + + + (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid - + - - - - valinate + + + + (R)-2-halocarboxylic acid - + - - - valinium + + + N-(carboxyaminomethyl)urea - + - - - + + + - + - L-prolinate - - - - - - - - - - secondary amine - - - - - - - - - L-prolinium + + + + + + + D-alanine - + - - + + + - + - D-prolinate + hydrazine - + - - + + + - + - D-prolinium + 2,3-dihydroxybenzoyl 5'-adenylate - + - - - prolinate + + + + + + + + + + + + + + + + + + + + + + (2-aminoethyl)phosphonic acid - + - - - prolinium + + + + nuatigenin - + - - - - tertiary amine + + + + + nuatigenin 3-beta-D-glucopyranoside - + - - - - primary amine + + + (24R)-24-methylcycloart-25-en-3beta-ol - + - - - alkene + + + + (3beta,24R,24'R)-fucosterol epoxide - + - - - - - - - - - - propane + + + (25S)-5beta-spirostan-3beta-ol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + (25S)-5beta-spirostan-3beta-yl beta-D-glucoside + + + + + + + + + + + + (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid + + + + + + + + + + + + juvenile hormone II + + + + + + + + + (2R,3S)-2,3-dimethylmalic acid + + + + + + + + + (R)-2-ethylmalic acid + + + + + + + + + - + - + 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S-adenosyl-4-methylthio-2-oxobutanoate - + - - - sialotriaosylceramide + + + nucleoside 3'-phosphate - + - - - sialotetraosylceramide + + + + + + + + + 1-deoxy-D-xylulose 5-phosphate - + - - - sialodiosylceramide + + + + + + + + + + + lipoic acid - + - - - - main-group coordination entity + + + 4alpha-methyllathosterone - + - - - + + + + - - + + - carbonyl compound + + + + + + + 5beta-cholestane-3alpha,7alpha,12alpha-triol - + - - + + + + - - + + - organic oxo compound + + + + + + + + + + + + + + + + + + + dGTP - + - - - acid anhydride + + + N-acylneuraminic acid - + - - - acyclic acid anhydride + + + (1S,4R)-fenchone - + - - - triterpenoid + + + 1-phosphatidyl-1D-myo-inositol 5-phosphate - + - - - - benzimidazole + + + L-arabinonate - + - - - 4H-benzimidazole + + + + + + + + + + + + + + + + selane - + - - - - - - - naphthyridine + + + + + + + + + monodehydro-L-ascorbic acid - + - - - 1,8-naphthyridine + + + dihydrostreptomycin 6-phosphate - + - - - p-toluic acid + + + 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1,2-diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol - + - - - - carbonothioic acid + + + (+)-isodihydrocarvone - + - - - chalcocarbonic acid + + + + + + + + + + + + + + + mesaconic acid - + - - - - organochalcogen compound + + + + + + + + + + + + + + + trichloroethene - + - - - - organooxygen compound + + + + + + + + + + + DIMBOA glucoside - + - - - - + + + - + - vitamin B6 phosphate + + + + + + + + + + + + + + + + + + + + + + + + + allyl alcohol - + - - - nucleotide + + + N-benzoyl-4-hydroxyanthranilic acid - + - - - - N-glycosylpyridine + + + 4-aminoimidazole - + - - - - pyridine nucleotide + + + + + + + + + + + + + + + + 5alpha-cholest-8-en-3beta-ol - + - - - flavin nucleotide + + + 2-dehydro-D-glucopyranose - + - - - - cyclic purine nucleotide + + + + + + + + + + spermidine - + - - + + - + + glutathionylspermidine + + + + + + + + + - mesaconate(2-) + biotin amide - - - - - - 3'-deoxyribonucleoside - - + - - - - - - - - purine 2'-deoxyribonucleoside 5'-monophosphate + + + 2-methylpropanal O-methyloxime - + - - - - - pyrimidine 2'-deoxyribonucleoside 5'-monophosphate + + + 1-acylglycerophosphoinositol - + - - - - nicotinamide dinucleotide + + + + + + + + + 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate - + - - - - ribonucleoside 5'-monophosphate + + + + + + + + + (2-trans,6-trans)-farnesol - + - - - - ribonucleoside 5'-phosphate + + + dTDP-4-dehydro-6-deoxy-D-galactose - + - - - - 2'-deoxyribonucleoside 5'-phosphate + + + N-phosphotaurocyamine - + - - - - - purine ribonucleoside 5'-monophosphate + + + + 3-dehydro-2-deoxy-D-gluconic acid - + - - - - amino-acid anion + + + + + + + + + methylmalonyl-CoA - + - - - + + - + - + - 2-aminoadipic acid + + + + + + + methylguanidine - + - - - O-acetyl-D-homoserine + + + + + + + + + + 4-amino-2-methyl-5-diphosphooxymethylpyrimidine - + - - - - - purine 2'-deoxyribonucleoside 5'-diphosphate + + + + + + + + + 3-dehydroshikimate - + - - - - - pyrimidine 2'-deoxyribonucleoside 5'-diphosphate + + + + vitexin 2''-O-beta-D-glucoside - + - - - - - purine ribonucleoside 5'-diphosphate + + + + + + + + + + vanillate - + - - - - - pyrimidine ribonucleoside 5'-diphosphate + + + + + + + + + + + + L-selenocysteine - + - - - - - purine 2'-deoxyribonucleoside 5'-triphosphate + + + + + + + + + + + + + + + + + + + + + + raffinose - + - - - - - pyrimidine 2'-deoxyribonucleoside 5'-triphosphate + + + + + + + + + + + + + + + + + + + + + + + + + + + 3-methylbutanal - + - - - - - pyrimidine ribonucleoside 5'-triphosphate + + + + + + + + + 4-methoxybenzoate - + - - - - - purine ribonucleoside 5'-triphosphate + + + ethyl (R)-3-hydroxyhexanoate - + - - + + + + + - + - 3-hydroxybutyrate - - - - - - - - - + + + + + + + + + + + + + @@ -51728,639 +49365,846 @@ - 2-methylbutyric acid - - - - - - - - - ribonucleoside 5'-diphosphate - - - - - - - - - ribonucleoside 5'-triphosphate + L-methionine - + - - + + - + - acrylate + + + + + + + preuroporphyrinogen - + - - - - ortho-fused tricyclic hydrocarbon + + 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pesticide - - - - - - - - - - pyrrolopyrimidine + + + + + + + + + + + + + bilirubin IXalpha - + - - - - - flavans + + + + + + + + + + + + + + + + + + + + + + + + + + + deoxyribonucleic acid - + - - - - fluorobiphenyl + + + + + + + + + + + + + + + + + 2-hydroxy-3-oxopropanoic acid - + - - - tetrahydroxyflavone + + + + 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid - + - - - monohydroxyflavone + + + 1-(beta-D-galactosyl)-2-(2-hydroxyacyl)sphingosine - + - - + + - - + + - anthocyanidin + + + + + + + + + + + + + oxalic acid - + - - - + + - - + + - anthocyanin + L-histidinol phosphate - + - - - - organic sodium salt + + + + + + + + + + + + + + + + + + + + + + + + + + + + propane-1,2-diol - + - - - - inorganic sodium salt + + + + D-phenylalanine - + - - - pediculicide + + + 1-acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine(1+) - + - - - carboxylic acid dianion + + + + + + + + + tropate - + - - - carboxylic acid trianion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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- + - - - pteroate + + + S-substitued glutathione - + - - - pteroic acid + + + 2-hydroxyadipic acid - + - - - - pteroic acids + + + + + + + + + + + + + + + + + + + + + + + + + + + (S)-dihydroorotic acid - + - - - - pteroates + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + progesterone - + - - - dihydropterin + + + allysine - + - - - calcium channel agonist + + + + + + + + + + 2-dehydro-3-deoxy-D-galactonic acid - + - - - calcium channel modulator + + + + + + + + + + + + + + + + + + + + + + + + + + + + chitin - + - - - ryanodine receptor modulator + + + + + cycloartenol - + - - - fluorocarbon + + + + chelirubine - + - - - + + + - + - tetrafluoromethane - - - - - - - - - 1-benzofurans + 2-dehydro-3-deoxy-D-gluconic acid - + - - - 2-benzofurans + + + + + + + + + + + + + + + biliverdin - + - - - benzofurochromene + + + octadecanal - + - - - xanthenes + + + + dibenzo[1,4]dioxine-2,3-dione - + - - - - - - - - - phenoxyacetate + + + + + + geissoschizine - + - - + + - + - decalin + fecosterol - + - - - - halophenol + + + D-glucurono-6,2-lactone - + - - - anaesthetic + + + (carboxymethoxy)succinic acid - + - - - general anaesthetic + + + + + + + + + (S)-N-methylcoclaurine - + - - - inhalation anaesthetic + + + + tetrachlorohydroquinone - + - - - intravenous anaesthetic + + + + + + + + + + + + + + + biphenyl-2-ol - + - - - diphenylmethane + + + + + + + + + + + + + + + + D-glucitol 6-phosphate - + - - - - + + + - + - corticotropin + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + dinitrogen oxide - + - - - - dibenzofurans + + + + + all-trans-undecaprenyl diphosphate - + - - - - benzopteridine + + + + + nororientaline - + - - - pyridopyrimidine + + + + + + + + + + + + + + + + + + + + + 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol - + - - - 3-aminopropane-1-thiol + + + + + + + + + + + + + + + + 3-phosphoglyceric acid - + - - - purvalanol + + + + fluoride - + - - - schistosomicide drug + + + + + + + + + 3-phosphoshikimic acid - + - - + + + + + - - + + - indole alkaloid + + + + + + + + + + + + + L-aspartic acid - + - - - methylbenzene + + + + 1-carboxyvinyl carboxyphosphonate - + - - - - alkylbenzene + + + + + + + + + cellobiose - + - - - GABA-gated chloride channel antagonist + + + + 3-dehydroecdysone - + - - - sodium channel modulator + + + 2-methylcholine - + - - - apolipoprotein + + + + + + + + + + D-glutamine - + - - - inclusion compound + + + primary aliphatic amine - + - - - clathrate compound + + + L-erythrulose 1-phosphate - + - - + + - - + + - high-density lipoprotein + 4-nitroaniline - + - - + + - - + + - low-density lipoprotein + 3',5'-cyclic CMP - + - - + + + - - + + - - + + - very-low-density lipoprotein + + + + + + + (R)-3-hydroxybutyric acid - + - - - - nitrilotriacetate(1-) + + + 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA - + - - + + + - + - NTA + 3-hydroxybenzyl alcohol - + - - - - nitrilotriacetate(2-) + + + + + + + + + + + + + + + glycolaldehyde - + - - + + + + N-amidino-L-aspartic acid + + + + + + + + + + - + - organophosphorus pesticide + Cypridina luciferin - + - - - - calcium cation + + + cycasin - + - - - - calcium ion + + + 6-hydroxyhexano-6-lactone - + - - - - magnesium cation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + streptomycin - + - - - magnesium ion + + + 2-carboxy-D-arabinitol - + - - - - Bronsted acid + + + L-gamma-glutamyl-L-cysteinyl-beta-alanine - + - - - - Bronsted base + + + + + + + + + + (S)-3'-hydroxy-N-methylcoclaurine - + - - - - Lewis acid + + + dimethylmaleate(2-) - + - - - - Lewis base + + + L-2-aminoadipate(2-) - + - - - trichostatin + + + + + + + + + 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol - + - - - chlorocyclohexane + + + + + + + + + + + + + + + 2-hydroxyglutaric acid - + - - - chlorocycloalkane + + + ketone - + - - - - trichostatic acid + + + + monoacyl-sn-glycerol 3-phosphate - + - - - (R)-trichostatic acid + + + + glycoprotein - + - - - (S)-trichostatic acid + + + (1R,2R,3R)-prephytoene diphosphate - + - - - 1,1,1-trichloro-2,2-diphenylethane + + + + + + + + + + 3-chloro-D-alanine - + - - - (R)-nicotine + + + + 2-dehydropantoic acid - + - - - tetramine + + + cis-1,6-dihydroxy-4-methylcyclohexa-2,4-dienecarboxylic acid - + - - - monochloropyridine + + + + + strictosidine aglycone - + - - - - chloropyridine + + + + + + + + + + + + + + + + + biphenyl - + - - - 2-chloropyridine + + + + + + + + + + veratraldehyde - + - - - - dithiolanes + + + aspulvinone H - + - - - - phenazines + + + L-arabinono-1,4-lactone - + - - - - dibenzopyran + + + + macarpine - + - - - - dibenzopyrrole + + + phosphoramide - + - - - - dibenzopyridine + + + + + + + + + + + + + + + N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide - + - - - chlorocarbon + + + + + 6-hydroxyprotopine - + - - - - - isopentadecanoic acid + + + + + + + + + 4-maleylacetoacetate - + - - + + - + - diphenyl ether + 1-alkyl-sn-glycerol 3-phosphate - + - - - - - dibenzothiazepine + + + + + + + + + D-arabinose - + - - - - halomethane + + + 7,8-dihydro-7,8-dihydroxykynurenic acid - + - - - - fluoromethanes - - - - - - - - - growth regulator - - - - - - - - - dinitrophenol - - - - - - - - - mononitrophenol - - - - - - - - - bridged diphenyl acaricide - - - - - - - - - - branched-chain saturated fatty acid - - - - - - - - - - straight-chain saturated fatty acid - - - - - - - - - - pyrimidine ribonucleosides - - - - - - - - - pyrimidines - - - - - - - - - - - pyrimidine ribonucleoside 5'-monophosphate - - - - - - - - - - polyazaalkane - - - - - - - - - chloroolefin - - - - - - - - - (R)-carnitinium + + + 1-guanidino-1-deoxy-scyllo-inositol - + - - - - - - - - - - - - + + - + - + - + - + + 5-O-phosphono-alpha-D-ribofuranosyl diphosphate + + + + + + + + - + - + - + + erythritol + + + + + + + + + N(5)-formyl-5,6,7,8-tetrahydromethanopterin + + + + + + + + + + + - + - + - + - + - + + L-serine + + + + + + + + + 5-dehydro-4-deoxy-D-glucuronate + + + + + + + + + + aldehydo-D-galactose + + + + + + + + + + - + - + + hexanoate + + + + + + + + + oxomalonate(2-) + + + + + + + + - + + aldehydo-N-acetyl-D-mannosamine + + + + + + + + + + + - + - + - + + 2-aminoacrylic acid + + + + + + + + + 6-acetamido-3-aminohexanoate + + + + + + + + - + - + + carnitine + + + + + + + + + + glucotropeolin + + + + + + + + - + + adipate(2-) + + + + + + + + + - + - + - curcumin + (S)-scoulerine - + - - - - dihydrogenphosphate + + + + + + 10-oxocapric acid - + - - - propylamine + + + (3,5-diiodo-4-hydroxyphenyl)pyruvic acid - + - - - cyclic ketone + + + diethyl (2R,3R)-2-hydroxy-3-methylsuccinate - + - - - - - - - - - - - - - - + + + + + + - + - (+)-pinoresinol + deoxylimonoic acid - + - - - - - - - - - - - - - - - + + + - + - amitrole - - - - - - - - - 4-hydroxycoumarin + octopamine - + - - - - adenosine 5'-(hexahydrogen pentaphosphate) + + + long-chain fatty alcohol - + - - - - - - - - - - 9H-purine-2,6-diamine + + + 2,8-dihydroxy-1,4-naphthoquinone - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - + - + - + - cyclophosphamide + hydrogensulfite - + - - - - - - - - - - - - + + + - + - + - + - lovastatin + glyceraldehyde 3-phosphate - + - - - - - - - - + + + 6-O-sulfo-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->3)-1-O-alkyl-2-O-acylglycerol + + + + + + + + - + - + - + - + + D-xylulose + + + + + + + + + - + - + - + - cyclosporin A + cysteamine - + - - - - adamantane + + + 5-formyl-2-hydroxyhepta-2,4-dienedioic acid - + - - - L-canavanine zwitterion + + + + 5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one - + - - - cytochrome + + + + + + + + + + 2-(3-amino-3-carboxypropyl)-L-histidine - + - - - adamantanone + + + + anhydrotetracycline - + - - - 1,6-anhydro-N-acetyl-beta-muramic acid + + + + + 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2H)-one - + - - + + + + + + + + - adenosine 5'-monophosphate(1+) - - - - - - - - - N-acetyl-beta-D-muramic acid + putrescine - + - - - beta-L-arabinopyranose + + + N-acetyl-beta-D-glycosaminyl glycopeptide - + - - + + - + - azide anion + + + + + + + 2-phosphoglycolic acid - + - - - + + - + - + - + - + - + - astaxanthin + + + + + + + + + + + + + xylitol - + - - + + - + - N,N,N-trimethylglycinium + phosphatidyl-N,N-dimethylethanolamine - + - - - + + + - + + propanal + + + + + + + + + - + - + - butane-1,4-diol - - - - - - - - - - mercaptoethanol - - - - - - - - - - 1H-benzimidazole - - - - - - - - - + - + - benzophenone - - - - - - - - - - + - + - D-galactopyranose - - - - - - - - - carboxymethyl group - - - - - - - - - D-galactopyranuronic acid - - - - - - - - - + - fluoroform - - - - - - - - - + - D-pipecolic acid - - - - - - - - - carbonate - - - - - - - - - @@ -56745,175 +56620,187 @@ - - - - - - - D-glucopyranose + nicotinamide - + - - - L-cysteine-S-dioxide + + + + + flavonol 3-O-(6-O-malonyl-beta-D-glucoside) - + - - - D-glucuronic acid + + + 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol - + - - - decane + + + trans,trans-2,3,4,5-tetradehydroacyl-CoA - + - - - - - - - - - - - - - - - - - - - - - - - - - - + + + - + - + - + - + - dexamethasone + methylglyoxal - + - - - 2-deoxy-5-O-phosphono-beta-L-ribofuranosylcytosine + + + + (R)-carnitinamide - + - - - D-hexose + + + + + 17alpha-estradiol - + - - - 9-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)guanine + + + O-demethylpuromycin - + - - - - D-hexose 6-phosphate + + + 2-oxooctadecanoate - + - - - - - + + + + S-methyl D-thioglycerate + + + + + + + + + - + - + - daunorubicin + stachyose - + - - - 4'-epidoxorubicinium + + + + + + + + + + + Photinus luciferin - + - - + + + + + + + + + N-methylputrescine + + + + + + + + + + + + + + @@ -56926,29 +56813,22 @@ - (R)-lactic acid - - - - - - - - - 1-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)thymine + (R)-lactaldehyde - + - - - + + + + + - + @@ -56957,53 +56837,37 @@ - (S)-lactic acid + 5alpha-cholest-7-en-3beta-ol - + - - - - - - - - + + - + - + - + - emodin - - - - - - - - - - + @@ -57015,1039 +56879,962 @@ - + - (-)-epigallocatechin + benzaldehyde - + - - - - - - - - - + + + - + - ethane + dimethylamine - + - - - - - - - + + + - + - + - + - + + 2'-deoxyguanosine + + + + + + + + - + - + - forskolin + D-ribulose - + - - - formyl group + + + + + + + + + + heparosan N-sulfate L-iduronic acid - + - - - D-tagatofuranose 6-phosphate + + + guanidinoethyl methyl phosphate - + - - - alpha-D-glucuronic acid + + + long-chain fatty aldehyde - + - - - (R)-amphetamine + + + + + + + + + cinnamyl alcohol - - - - - - - 1-thio-beta-D-glucopyranose - - - + - - - - + + - + - 7,8-didemethyl-8-hydroxy-5-deazariboflavin - - - - - - - - - (R)-hydratropic acid - - - - - - - - - hydroxy group - - - - - - - - - (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one + taurolithocholate - + - - - - + + - + - hydrogen iodide + 3-hydroxypyruvate - + - - - - - - - - - - hydrogenphosphate + + + 5-(4-acetoxybut-1-ynyl)-2,2'-bithiophene - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - kojic acid + + + + + sanguinarine - + - - - - - - - - - icosane + + + chlordecone alcohol - + - - - beta-L-fructofuranose + + + 2,3,5-trihydroxytoluene - + - - - - - thiazole + + + pinene - + - - - butan-1-amine + + + nucleoside 5'-monophosphate - + - - - - - - + + - + - + - + - melagatran - - - - - - - - - - - + - + + 2,5-dihydroxybenzoic acid + + + + + + + + + + + - + - + - + - + - + - + - methotrexate - - - - - - - - - NAD zwitterion - - - - - - - - - - deoxyribonucleotide - - - - - - - - - beta-muramic acid + L-isoleucine - + - - - + + + + - + - + - + - fosmidomycin + 3,5-dibromo-4-hydroxybenzonitrile - + - - - dermatan + + + ADP-aldose - + - - - - - - - - - NADP zwitterion + + + bromochloromethane - + - - - - - - - - - + + + thiomorpholine-3-carboxylic acid + + + + + + + + + + + - + - + - + - + - + - + - + + L-asparagine + + + + + + + + - + - hydroxyurea + 1-alkylglycerone 3-phosphate - + - - - + + + dolichyl N-acetyl-alpha-D-glucosaminyl phosphate + + + + + + + + + 4,5-dihydroxyphthalic acid + + + + + + + + - + - + - nitrilotriacetic acid - - - - - - - - - L-ornithinium(2+) + UDP-alpha-D-glucuronic acid - + - - - - - - - - - - - - - - + + - + + glycylglycine + + + + + + + + + - + - + - + - (S)-amphetamine + IMP - + - - - - - + + + + + - + - + - + - + - + - dextromethorphan - - - - - - - - - - + - + - homogentisic acid + L-proline - + - - - - - - - - - - - - (2R,4S)-2-methyltetrahydrofuran-2,3,3,4-tetrol + + + 4,5-dioxopentanoic acid - + - - - - - - - - + + + + + + 9,11alpha-epoxypregn-4-ene-3,20-dione + + + + + + + + + 2-methylideneglutaric acid + + + + + + + + - + - + + dihydrosanguinarine + + + + + + + + + (S)-4-hydroxymandelate + + + + + + + + - + - + - 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine + geranyl diphosphate - + - - - N,N-dimethyl-L-prolinium + + + 1,2-dihydroxydibenzothiophene - + - - - + + + + D-lysopine + + + + + + + + - + - phosphoenolpyruvic acid + (2S)-2-isopropyl-3-oxosuccinate(2-) - + - - - + + + + methyl L-tyrosinate + + + + + + + + + + - + - phosphonic acid + oxidized Cypridina luciferin - + - - - - 2-phospho-L-lactic acid + + + + 2-butenoic acid - + - - - 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol + + + limonene-1,2-diol - + - - - - phosphite(3-) + + + 3beta-hydroxy-Delta(5)-steroid - + - - - + + - + - 7-cyano-7-deazaguanine - - - - - - - - - - + - + - + - ribostamycin - - - - - - - - - - - + - + - sulfanilamide - - - - - - - - - alpha-D-ribose - - - - - - - - - (R)-2-methylbutyric acid + beta-myrcene - + - - - - sec-butyl group + + + polyprenyl glucosyl phosphate - + - - - dodecyl hydrogen sulfate + + + + + + + + + + + + + + + 4-methylumbelliferone - + - - + + - + - + - adenosine 5'-monophosphate(2-) + salutaridine - + - - + + + + + - + - + - ADP(3-) + + + + + + + + + + + + + + + + + + + + + + + + + rosmarinic acid - + - - - hydrogensulfate + + + + taurocyamine - + - - - - - - - - + + + + + + 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene + + + + + + + + + + - spermine(4+) + homocysteine - + - - + + - + - N-acetyl-beta-neuraminic acid - - - - - - - - - beta-D-tagatofuranose 6-phosphate + m-cresol - + - - - + + - + - + - + @@ -58056,99 +57843,90 @@ - paclitaxel + L-glutamic 5-semialdehyde - + - - - - - - - - - - - - - - - suramin + + + (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione - + - - - - - - - - + + - + - thiamine(1+) diphosphate(1-) + glucose - + - - - tricarballylic acid + + + + 2-hydroxy-6-oxohexa-2,4-dienoic acid - + - - - - + + + (E)-4-(trimethylammonio)but-2-enoate + + + + + + + + + - + - + - thiabendazole + CDP - + - - + + - + - + @@ -58157,282 +57935,289 @@ - ribothymidine + itaconate(2-) - + - - - - - - - - - - trichostatin A + + + 1H-pyrazole - + - - + + - + - 2,4,6-trinitrotoluene + dehydroascorbic acid - + - - - 4H-1,2,4-triazole + + + mono(2-ethylhexyl) phthalate - + - - - - - + + + 5,6-dihydroquinoline-2,5,6-triol + + + + + + + + + + - + - + - + - fluconazole - - - - - - - - - - + - + - + - + - + - + - + - + - + - + - paracetamol + carbon monoxide - + - - - - - - - - - N-phenylthiourea + + + + poly(vinyl alcohol) macromolecule - + - - - - - - - - - - - - - - - - - + + + + N-isopropylammelide + + + + + + + + + + - + - + - diosgenin + 6-lactoyl-5,6,7,8-tetrahydropterin - + - - - undecane + + + + + + + + D-nopaline - + - - - + + + 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid + + + + + + + + + + pentalenene + + + + + + + + + + - + - + - + - + + 17alpha-hydroxyprogesterone + + + + + + + + + + 1,2-benzoquinone + + + + + + + + - + - + - 5-fluorouracil - - - - - - - - - - - + - diphenidol - - - - - - - - - + @@ -58441,204 +58226,341 @@ - UTP(4-) + 4-methylcatechol - + - - - + + + N-carbamoyl-D-alpha-amino acid + + + + + + + + + - + - + - + - + - vanadate(3-) + 2'-deoxyadenosine - + - - - - tungstate + + + bis-gamma-glutamylcystine - + - - - - - - - - - cis-zeatin + + + 7H-purine - + - - - - - wybutosine + + + CDP-3,6-dideoxy-D-mannose - + - - - oxo group + + + butanoyl dihydrogen phosphate - + - - - - + + + + N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine + + + + + + + + + + dTDP-D-galacturonic acid + + + + + + + + + - + - carbapenems + + + + + + + + + + + + + + + + + + + + + + + + + estrone - + - - - diketone + + + phosphatidylglycerol phosphate - + - - - + + + O-(1->4)-alpha-L-dihydrostreptosylstreptidine 6-phosphate + + + + + + + + - isobutanol + + + + + + + L-sorbose - + - - - mineral + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + myo-inositol - + - - - - amino acid ester + + + + + + + + + + + + + + + + Latia luciferin - + - - - azaalkane + + + + + + + + + + + + + + + glycerol 2-phosphate - + - - - diazaalkane + + + 3-phosphonatopyruvate(3-) - + - - - 2,3-dihydroxy-5-methyl-1,4-benzoquinone + + + + + + + + + propionate - + - - - - fluorohydrocarbon + + + aldehydo-N-acyl-D-glucosamine - + - - - - - benzoxazole + + + + + + + + + 2-isopropylmaleic acid - + - - - + + @@ -58648,292 +58570,405 @@ - - - - - - - + - docetaxel anhydrous - - - - - - - - - phosphate mineral + phloretin - + - - - - oxabicycloalkane + + + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine - + - - - dipeptide + + + + + + + + + + + + + + + + + + 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol - + - - - (E,E,E)-geranylgeraniol + + + + + + + + + N-succinyl-LL-2,6-diaminopimelic acid - + - - - carbapenem + + + + + + + + + 2-deoxy-D-ribono-1,4-lactone - + - - - pyrrolidinecarboxylic acid + + + + + + + + + 3-(indol-3-yl)lactate - + - - - - pyrrolidinecarboxamide + + + + + + + + + 1-phosphatidyl-1D-myo-inositol 3-phosphate - + - - - - N-alkylpyrrolidine + + + + 5-phospho-D-ribosylamine - + - - - - solvent + + + + + + + + + + + + + + + + + + + L-cysteic acid - + - - - 1,3-oxazoles + + + + + + deacetylisoipecoside - + - - + + + + + + + + + - urate anion + N-phosphocreatine - + - - + + + - - + + - urate salt - - - - - - - - - carboxypyridinecarboxylate + homoserine lactone - + - - - + + + + + + - + - + - quinolinate(1-) - - - - - - - - - + - sarcosinium + + + + + + + 4'-demethyldeoxypodophyllotoxin - + - - - - N-alkylpiperazine + + + (S)-3-hydroxybutyric acid - + - - - - - N-arylpiperazine + + + L-fuconic acid - + - - - organoammonium salt + + + + + + + + + + beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer - + - - - - N-(2-hydroxyethyl)piperazine + + + 2-aminophenoxazin-3-one - + - - - - indolyl carboxylic acid + + + 4,21-dehydrogeissoschizine - + - - - carboxy group + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + L-phenylalanine - + - - - silicon hydroxide + + + + aniline - + - - - - azetidinecarboxylic acid + + + UDP-sugar - + - - - - lipopeptide + + + + dolichyl D-xylosyl phosphate - + - - - diacyl lipopeptide + + + 4-methylene-L-glutamate(2-) - + - - - + + + + + + + + + + tetrachloroethene + + + + + + + + @@ -58946,163 +58981,199 @@ - oxalate(1-) + glucaric acid - + - - + + + - + - + - + - (R)-pantothenic acid - - - - - - - - - - L-ornithinium(1+) + pentadecanal - + - - + + + + - + - + - ornithinium(1+) - - - - - - - - - ornithinium(2+) - - - - - - - - - - + - L-ornithinate - - - - - - - - - + - sarcosinate + + + + + + + + + + + + + + + + + + + morphine - + - - - - N-methylpiperazine + + + piperitenone - + - - - - indolyl carboxylate ester + + + 2-dehydro-3-deoxy-D-glucaric acid - + - - - 3-(2,3-dihydroxyphenyl)propanoate + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + maltose - + - - - - - oxazinane + + + dTDP-6-deoxy-L-talose - + - - - - anthracenes + + + + + + + + + + + + 2-oxohexanoic acid - + - - + + + + + + + + + + + + + + + + + + + + @@ -59112,41 +59183,73 @@ - + - + - + - 3-(2-hydroxyphenyl)propanoate + pectin - + - - - dTMP(-) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + pyridoxal - + - - - - + + @@ -59156,5920 +59259,8256 @@ - + - phytosphingosine + N(6),N(6),N(6)-trimethyl-L-lysine - + - - - - 2-aminooctadecene-1,3-diol + + + + + + + + + + N(1)-acetylspermine - + - - - 2-aminooctadec-4-ene-1,3-diol + + + 7,8-dihydroxycoumarin - + - - - (2R,3S)-2-aminooctadec-4-ene-1,3-diol + + + + 13-hydroxydocosanoic acid - + - - - - 2-amino-1-hydroxyoctadecan-3-one + + + + + + + + + D-glucosamine - + - - - L-erythro-sphingosine + + + + 2-N,6-O-disulfo-D-glucosamine - + - - - - 2-aminooctadecane-1,3-diol + + + D-sorbose - + - - - alpha-L-arabinopyranose + + + N-(3,4-dichlorophenyl)malonamate - + - - - 4-amino-4-deoxyarabinose + + + + + + + + + + + + + + + + + + + + + + 5'-deoxyadenosine - + - - - pentosamine + + + + + 23,24-dihydrocucurbitacin - + - - - 4-amino-4-deoxy-L-arabinose + + + 5,6,7,8-tetrahydromethanopterin - + - - - 4-amino-4-deoxy-L-arabinopyranose + + + chloric acid - + - - - 4-amino-4-deoxy-alpha-L-arabinopyranose + + + trans-pinosylvin - + - - - 4-amino-4-deoxy-beta-L-arabinopyranose + + + + + + + + + + + + + + + + 3-hydroxy-3-methylglutarate(2-) - + - - - D-arabinopyranose + + + + + + + + + nucleoside triphosphate - + - - - alpha-D-arabinopyranose + + + + + + + + + + + + + + + + + + + + + + phytol - + - - - beta-D-arabinopyranose + + + + N(6)-[(indol-3-yl)acetyl]-L-lysine - + - - - L-ribose + + + UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N(6)-(L-alanyl)-L-lysyl-D-alanyl-D-alanine - + - - - - - - - - - ribofuranose + + + + N-benzoylanthranilate - + - - - - L-ribofuranose + + + planteose - + - - - alpha-L-ribose + + + + + + + + + + + + + + + + + + + + + chorismic acid - + - - - - D-ribofuranose + + + penicillin - + - - - tetrahydrofuranone - - - - - - - - - tetrahydrofuranol - - - - - - - - - monohydroxytetrahydrofuran - - - - - - - - - dihydroxytetrahydrofuran - - - - - - - - - tetrahydrofurandione + + + + 4-O-beta-D-glucosyl-4-coumaric acid - + - - + + + - + - UDP-4-amino-4-deoxy-beta-L-arabinopyranose - - - - - - - - - + - UDP-4-deoxy-4-formamido-beta-L-arabinopyranose + all-trans-retinol - + - - - cyclic purine dinucleotide + + + + (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid - + - - - 4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate + + + CDP-3,6-dideoxy-D-glucose - + - - - lipid A + + + + N(5)-acyl-L-ornithine - + - - - tetrahydroxytetrahydrofuran + + + + + + + + + cetraxate - + - - - hydroxycalciol + + + + L-2-aminohexano-6-lactam - + - - - double-stranded DNA + + + + cis-3,4-leucopelargonidin - + - - - - - - - - - pentachlorobenzene + + + 2-carboxy-cis,cis-muconic acid - + - - - + + + + + + + + + - ecgonine - - - - - - - - - L-glucaric acid - - - - - - - - - purvalanol A - - - - - - - - - acetate ester + + + + + + + guanosine 5'-monophosphate - + - - - Elastin + + + + 4-chlorophenylacetonitrile - + - - - - - + + + + + - + - vancomycin aglycone - - - - - - - - - + - beta-L-Ara4N-lipid A + + + + + + + + + + + + + testosterone - + - - - very-low-density lipoprotein cholesterol + + + + D-aldohexose 6-phosphate - + - - - low-density lipoprotein cholesterol + + + 5-methyl-5,6,7,8-tetrahydromethanopterin - + - - - high-density lipoprotein cholesterol + + + + + + + + + + + + + + + + + + + + + + linoleic acid - + - - - very-low-density lipoprotein triglyceride + + + (R)-mandelamide - + - - - - glyceride + + + 16beta-hydroxy steroid - + - - - - aminoglycoside + + + + (S)-2-acetamido-6-oxopimelic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - + - + - + - + - desipramine - - - - - - - - - - cyclopentafuran + 2-acetamidofluorene - + - - - nucleotide conjugate + + + L-rhamnonic acid - + - - - 11-oxo steroid + + + N(4)-phosphoagmatine - + - - - - 3-oxo steroid + + + + + sulfite - + - - - - furofuran + + + D-altronate - + - - - phenylacetaldehyde oxime + + + + + + + + + + + + + + + + + + + + + + cytidine 5'-monophosphate - + - - - xi-progoitrin(1-) + + + + + + quinoline - + - - - - dibenzoazepine + + + + + + + + + D-ribulose 5-phosphate - + - - - - penamcarboxylate + + + + + + + + + + D-aspartic acid - + - - - ureas + + + 2,4-dichloro-cis,cis-muconic acid - + - - - indicator + + + 2-hydroxy-6-oxonona-2,4-dienedioic acid - + - - - photosensitizing agent + + + + + + + + + + + hypoxanthine - + - - - hexose 6-phosphate + + + + + + + + + D-mannose 6-phosphate - + - - - - hexose phosphate + + + + + + + + + + + + + + macrocin - + - - - 3-oxo monocarboxylic acid + + + + 1,2-dihydrovomilenine - + - - - cyclic polypyrrole + + + N(6)-acetyl-N(6)-hydroxy-L-lysine - + - - - dinucleotide + + + (2S)-2-hydroxy monocarboxylic acid - + - - - - steroid acid + + + + + + + + + + + + + + + + + cystine - + - - - - pyridine nucleoside + + + + bergaptol - + - - - - - - - - - + + - + - + - + - 4'-epidoxorubicin - - - - - - - - - - + + - alkanesulfonic acid + D-glyceraldehyde - + - - - alkanethiol + + + + + + + + + + + isovitexin 2''-O-beta-D-glucoside - + - - - + + - - + + - 3-oxo-Delta(4) steroid + + + + + + + 3-hydroxy-L-kynurenine - + - - - - S-substituted L-cysteine + + + + + + + + + + + + + + + + + + + + + + + porphobilinogen - + - - - flavonoid + + + 5'-O-beta-D-glucosylpyridoxine - + - - - - 1-ribosylbenzimidazole + + + GDP-D-glucose - + - - - tripeptide + + + + + + + + + + + 17-O-acetylnorajmaline - + - - + + + - + - D-glucopyranuronic acid + + + + + + + 3-(4-hydroxyphenyl)lactic acid - + - - - nicotinic acetylcholine receptor agonist + + + + O-acylcarnitine - + - - - aldehydo-D-galacturonic acid + + + (S)-1-pyrroline-5-carboxylate - + - + + + + 2-monoglyceride + + + + + + + + + + - - aurone + + + allocryptopine - + - - - N-acetylmuramic acid + + + + 5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside - + - - + + + + D-allose + + + + + + + + - + - + - 2-amino-2-deoxy-D-glucopyranose - - - - - - - - - N-acetylmuramate + N(5)-ethyl-L-glutamine - + - - - - enamine + + + + + + + + + + + + + + + cis-caffeic acid - + - - - protein synthesis inhibitor + + + (R)-prunasin - + - - - tetrapeptide + + + + 3-methyloxindole - + - - + + - + - + - microcystin + + + + + + + L-xylulose - + - - - - + + + raucaffricine + + + + + + + + - + - + - + - + - + - (-)-epigallocatechin 3-gallate + myo-inositol hexakisphosphate - + - - + + + 2-methylpropanoyl phosphate + + + + + + + + + + 3-chloro-L-alanine + + + + + + + + + indan-1-one + + + + + + + + + + + - + - brefeldin A + + + + + + + 4-pyridoxic acid - + - - - bacteriocin + + + + + 3-(imidazol-5-yl)pyruvic acid - + - - + + - + - + - nitric acid + 2-trans,6-trans-farnesyl diphosphate - + - - - - nitrobenzenes + + + monoglyceride - + - - - trinitrobenzene + + + + 10-hydroxycapric acid - + - - - - - - - - - 1,3,5-trinitrobenzene + + + pteridine-2,4,6,7-tetrol - + - - - - nucleotide-amino acid + + + + + 2-(hydroxymethyl)-4-oxobutanoic acid - + - - - - 1-glycosylimidazole + + + + 2,5-dioxopentanoic acid - + - - - - - - - - - anthracycline + + + 3,4-dihydroxyphthalic acid - + - - - - hydrogensilicate(3-) + + + N-caffeoylputrescine - + - - - silicate ion + + + + + + + + + + valeric acid - + - - - - dihydrogensilicate(2-) + + + 3-hydroxy-cis,cis-muconic acid - + - - - - trihydrogensilicate(1-) + + + tetrahydropteroyltri-L-glutamic acid - + - - - - - benzoisochromanequinone + + + + + heparan sulfate N-acetyl-alpha-D-glucosaminide - + - - + + - + - + - tetracenomycin + P(1),P(4)-bis(5'-adenosyl) tetraphosphate - + - - - xanthosines + + + 4-carboxy-2-hydroxy-cis,cis-muconic acid - + - - - - cyclosiloxane + + + + + + + + + 1-pyrroline-2-carboxylate - + - - - cyclotetrasiloxane + + + + + + + + + + 5-dehydro-D-gluconic acid - + - - - - sulfur oxide + + + 3-hydroxy-L-aspartate residue - + - - - aflatoxin B2 + + + (R)-reticuline - + - - - - cyclopentafurofurochromene + + + + 3-ketosucrose - + - - - antiseptic drug + + + + + + + + + + + + + + + + agmatine - + - - - disinfectant + + + + + + + + + queuine - + - - - serotonergic drug + + + + + + + + + trimethylsulfonium - + - - - serotonergic antagonist + + + + + + + + + naphthalene-1,2-diol - + - - - - + + + - + + (R)-5-phosphomevalonic acid + + + + + + + + - + - + - + - + - ergothioneine - - - - - - - - - fragrance - - - - - - - - - - pyrrolopyrazine - - - - - - - - - disulfide - - - - - - - - - polar solvent + + + + + + + dimethyl sulfide - + - - - non-polar solvent + + + + O-beta-D-xylosylzeatin - + - - - - protic solvent + + + + + + + + + + cyanocob(III)alamin - + - - - aprotic solvent + + + + + + + + + 4-nitrophenyl phosphate - + - - - - polar aprotic solvent + + + + chlorite - + - - - - protophilic solvent + + + + + + + + + + + + + + 4-(2-aminophenyl)-2,4-dioxobutanoic acid - + - - - - amphiprotic solvent + + + + + + + + + + + + + + + + + L-homocitrulline - + - - - - carbamimidic acid + + + + + + + + + + 3-hydroxyphenylacetic acid - + - - - - imidic acid + + + + + + 3-D-glucuronosyl-N(2),6-disulfo-beta-D-glucosamine - + - - - - carboximidic acid + + + + + + + + + + + + + + + + + + + + + + + + + + + + + geraniol - + - - - isourea + + + methanofuran - + - - - antiparkinson drug + + + cis-4-coumaric acid - + - - - - biphenylyltetrazole + + + + + + + + + methylmalonate(2-) - + - - - angiogenesis inhibitor + + + UDP-L-rhamnose - + - - - - formimidic acid + + + + + + + + + N-(2,3-dihydroxybenzoyl)-L-serine - + - - - angiotensin + + + + + + + + + dithioerythritol - + - - - carbazoles + + + + 14'-apo-beta-carotenal - + - - + + - + - hydratropic acid + N-methyltyramine - + - - - (S)-hydratropic acid + + + + + + + + + D-iditol - + - - - alpha-adrenergic drug + + + + + + + + + + + + + + + + + + + + + + + + + + + + lipoamide - + - - - beta-adrenergic drug + + + + + + + + + L-galactono-1,4-lactone - + - - - deca-2,4,6,8-tetraenedioic acid + + + + + + + + + phaseollidin hydrate - + - - - methanesulfonates + + + GDP-D-mannuronate - + - - - pentapeptide + + + 4-(dimethylamino)phenylazoxybenzene - + - - - EC 1.1.1.21 (aldehyde reductase) inhibitor + + + (4-bromophenylsulfanyl)pyruvate - + - - - dopaminergic agent + + + N-adenylylanthranilic acid - + - - - dopaminergic antagonist 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xanthones + + + + 5-dehydro-4-deoxy-D-glucuronic acid - + - - - monofluorobenzene + + + + + + + + + 2-amino-2-deoxy-D-gluconic acid - + - - - dipolar compound + + + + + + + + + + N-acetyl-L-leucine - + - - - antitussive + + + + + + + + + dihydrochelirubine - + - - - - - - - - - - - - - - + + + + + - + - + - + - + - + - + - fluoxetine - - - - - - - - - - calixaromatic + methanol - + - - - diamminedichloroplatinum + + + + + + + + + + obtusifoliol - + - - - acenes + + + + + + + + + organic halide - + - - - tetracenes + + + + + + + + + + + + + + + + calycosin - + - - - thioureas + + + + + + + + + + + + + + + 3-phospho-D-glyceric acid - + - - - - thioester + + + dihydroxyfumarate(2-) - + - - - - acenoquinone + + + + + + + + + L-idonate - + - - - - tetracenequinones + + + aldehydo-D-ribose 5-phosphate - + - - - + + - + - + + L-gamma-glutamyl phosphate + + + + + + + + - - + + - - + + - flurbiprofen - - - - - - - - - diester + 2-methyl-DL-serine - + - - - dinitrile + + + O-phosphoviomycin - + - - - haloethene + + + 4-hydroxy-4-methyl-2-oxoglutaric acid - + - - - vinylarene + + + + + + + + + pseudouridine - + - - - - organic sulfate salt + + + + + + + + + + + + + + + + + + + + + dehydro-D-arabinono-1,4-lactone - + - - - adamantanes + + + + + + + + + + + + + + + + + + + + + + dyspropterin - + - - - - polyamine macromolecule + + + + + + + + + + D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate - + - - - benzylpenicillin(1-) + + + N-acetyl-beta-D-galactosaminyl group - + - - - - penicillinate anion + + + + 3-(3,4-dihydroxyphenyl)lactic acid - + - - - muscle relaxant + + + + + + + + + + IDP - + - - - neuromuscular agent + + + + + 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine - + - - - GABA agent + + + 2,4,6/3,5-pentahydroxycyclohexanone - + - - - D-ascorbic acid - + + + + + + + + + + + + + + + + + + + + + + 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol + - + - - - calix(hetero)arene + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + salicin - + - - - calixpyrroles + + + 1,2-diacyl-sn-glycerol - + - - - organodiyl group + + + + + + + + + 1D-myo-inositol 1,4-bisphosphate - + - - - organic divalent group + + + CDP-4-dehydro-3,6-dideoxy-D-glucose - + - - - organic univalent group + + + + + + + + + N-feruloyltyramine - + - - + + + + + + + + 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid + + + + + + + + + + + + + + + - (S)-carnitinium + thymine - + - - - cyclopropanes + + + + + + + + + + + + + + + serine - + - - - 1,2-benzoxazoles + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + calcitriol - + - - - benzisoxazole + + + + + + + + + propan-2-ol - + - - - - - N-acyl-amino acid + + + 7-methylguanosine 5'-phosphate(1+) - + - - - - - - biotins + + + + + + + + + + + + + + + + + + + + + + methylarsonous acid - + - - - diarylmethane + + + methyl-CoM - + - - - dimethoxybenzene + + + 2,3-dihydroxyindole - + - - - - methoxybenzenes + + + + + + + + + 7,8-diaminononanoate - + - - - - enal + + + + + + + + + + + heparosan-N-sulfate D-glucuronic acid - + - - - - enone + + + + 1-O-(alk-1-enyl)-sn-glycero-3-phosphocholine - + - - - - enoate ester + + + + gentamycin - + - - - octacarboxylic acid + + + + + + + + + + + + + + + + + + + + + + + + + + + 2-phospho-D-glyceric acid - + - - - alpha,beta-unsaturated aldehyde + + + + + + + + + + + + + + + + + + + + + + 4-aminobenzoate - + - - - alpha,beta-unsaturated ketone + + + D-tagatose 6-phosphate - + - - - alpha,beta-unsaturated carboxylic ester + + + (3S)-3-hydroxy-L-aspartate(2-) - + - - - alpha,beta-unsaturated carboxylic acid amide + + + + + + + + + 7,8-dihydropteroate - + - - - - enamide + + + + + + + + + biphenyl-4-amine - + - - - - ketonitrile + + + + indoxyl - + - - - alpha-ketonitrile + + + trypanothione - + - - - methylphenidate(1+) + + + transfer RNA - + - - - methyl (S)-phenyl[(S)-piperidin-2-yl]acetate + + + + 2-amino-3-oxobutanoic acid - + - - - - - - - - - dexmethylphenidate + + + 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol - + - - - methyl ketone + + + + + + + + + + + + + + + + (S)-naringenin - + - - - alpha-diketone + + + + + + + + + + + + + + + + + + + + + p-cresol - + - - - bisindole + + + 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine - + - - - - bisindole alkaloid + + + glucarolactone - + - - - organic heterohexacyclic compound + + + beta-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-(beta-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl group - + - - - indolocarbazole + + + homocitric acid - + - - - - organic polycyclic compound + + + S-acetylcysteamine - + - - - organic tricyclic compound + + + + + + + + + cyclohexanone - + - - - hopanoid + + + triglyceride - + - - - oxonium betaine + + + glucuronoxylan 4-O-methyl-D-glucuronate - + - - + + + - + - methoxide + 4-methyl-5-(2-phosphonooxyethyl)thiazole - + - - + + + - + - + - ethoxide + glutathione disulfide - + - - + + - + - phosphinothricin + + + + + + + glutaric acid - + - - - organic heteroheptacyclic compound + + + + + + + + + 6-phospho-2-dehydro-3-deoxy-D-galactonic acid - + - - - biochemical role + + + + + + + + + 4-chlorobenzoate - + - - - biophysical role + + + + + + + + + 3-dehydrosphinganine - + - - - aetiopathogenetic role + + + cellobiono-1,5-lactone - + - - - pharmacological role + + + + + + + + + taurolithocholic acid sulfate - + - - - physiological role + + + + + + + + + + + + + + + 4-methyl-2-oxopentanoate - + - - - ligand + + + digallate - + - - - photochemical role + + + + UDP-2-acetamido-4-dehydro-2,6-dideoxy-beta-D-glucose - + - - - pharmaceutical + + + 1-palmitoylglycerone 3-phosphate - + - - - apatite + + + + + + + + + + + + 6-hydroxyhexanoic acid - + - - - hydroxylapatite + + + + 3-hydroxypropanal - + - - - 7-hydroxyflavonol + + + 2-oxo-2H-pyran-4,6-dicarboxylic acid - + - - + + - + - + - 1-octadec-9-enoylglycero-3-phosphate + dihydrozeatin - + - - - - + + + + quercetin 3,3'-bissulfate + + + + + + + + + + + rifamycin B + + + + + + + + - + - wortmannin + + + + + + + FADH2 - + - - - mitogen + + + + 2-hydroxycyclohexan-1-one - + - - - thalianol + + + + + + + + + + + + + + + 4-hydroxybenzoate - + - - - - tricyclic triterpenoid + + + + 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one - + - - - - ortho-fused heteroarene + + + UDP-N-acetylmuramic acid - + - - - oxyketone + + + + + + + + + + + + hydrogen chloride - + - - - alpha-oxyketone + + + + + + + + + N(2)-phenylacetyl-L-glutamine - + - - - EC 3.2.1.* (glycosidase) inhibitor + + + CDP-glycerol - + - - - - EC 3.2.1.18 (exo-alpha-sialidase) inhibitor + + + + + + + + + D-tagaturonate - + - - - cephalosporin carboxylic acid anion + + + 6-phospho-beta-D-glucosyl-(1->4)-D-glucose - + - - + + + + + - + - tetrahydrodictyopterin + isopyridoxal - + - - + + - + - + - + - 5-oxo-ETE + tryptophol - + - - + + + donor + + + + + + + + - + + L-rhamnulose 1-phosphate + + + + + + + + + (2R)-2-hydroxy monocarboxylic acid + + + + + + + + + + + - + - + - + - + - 2-O-acetyl-1-O-octadecyl-sn-glycero-3-phosphocholine + L-tyrosine - + - - - galactolipid + + + + + + + + + L-rhamnulose - + - - - tetracyclic diterpenoid + + + + + + + + + + + + + + + + + + + + + all-trans-retinal - + - - - acylglycerophosphoserine + + + + + + + + + + + + + + + + + 7alpha-hydroxycholest-4-en-3-one - + - - - alkylglycerol + + + 6-O-acetyl-D-glucose - + - - - ganglioside GP1c + + + N-carbamoylputrescine - + - - - 2-hydroxy carboxylic acid + + + 4-(dimethylamino)azobenzene - + - - - - inorganic hydroxy compound + + + + + + + + + + coenzyme M - + - - - - N-acylethanolamine + + + + + + + + + + + + + + + + aminoacetone - + - - - - polyphosphoric acid + + + + + + + + + styrene oxide - + - - - + + + streptidine 6-phosphate + + + + + + + + + hexano-6-lactone + + + + + + + + + + - + - + - leptomycin B + + + + + + + L-allysine - + - - - - - - - - - leptomycin + + + + 3-mercapto-2-mercaptomethylpropanoic acid - + - - - 5-alkylresorcinol + + + 3-methyleneoxindole - + - - - butanediol + + + + + + + + + fluoren-9-one - + - - - proteasome inhibitor + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + D-glucitol - + - - - acridinium ion + + + + + + + + + alpha-D-glucose - + - - - cyclic organic group + + + hydrogenobyrinic acid - + - - - (9Z,12Z,15Z)-octadeca-9,12,15-trienoate + + + + + + + + + + + + + + + N(1)-acetylspermidine - + - - - - - sphingosylphosphocholine acid + + + 1-amino-1-deoxy-scyllo-inositol 4-phosphate - + - - + + + + + - + - ubiquinone-6 + N(omega),N(omega)-dimethyl-L-arginine - + - - - + + + N-hydroxy-2-acetamidofluorene + + + + + + + + + + @@ -65079,719 +67518,884 @@ - + - ergosteryl 3-beta-D-glucoside - - - - - - - - - epitope + + + + + + + + + + + + + + + + + + + + + + + + + calcidiol - + - - - xanthosine 5'-phosphate + + + + + pregnan-21-al - + - - - oxysterol + + + + + + + + + + octanal - + - - + + + - + - L-galactonate + + + + + + + 2-acyl-sn-glycero-3-phosphate - + - - - lysine derivative + + + L-rhamnono-1,4-lactone - + - - - adenosine A2A receptor antagonist + + + + 5alpha-ergosta-7,22-diene-3beta,5-diol - + - - - + + - + - + - polychlorobiphenyl - - - - - - - - - apo carotenoid - - - - - - - - - - poly(amide) macromolecule + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + puromycin - + - - - 2-halophenol + + + diisopropyl fluorophosphate - + - - + + - + - 3,3',5-triiodo-L-thyronine zwitterion + D-allose 6-phosphate - + - - - - polyanionic macromolecule + + + (S)-2-O-sulfolactic acid - + - - - copolymer macromolecule + + + + + + + + + + N-cyclohexylformamide - + - - - - olefinic fatty acid + + + + + + + + + + + + + 3-dehydroquinic acid - + - - - benzenesulfonates + + + + + + + + + (+)-taxifolin - + - - - GHB receptor agonist + + + + + + + + + + + + + + + + beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine - + - - - ionic macromolecule + + + + + flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]s - + - - - - gamma-poly(glutamic acid) macromolecule + + + + + + + + + + xanthopterin-B2 - + - - - - gamma-poly(glutamate) macromolecule + + + 1-alpha-D-galactosyl-sn-glycerol 3-phosphate - + - - - poly(hydroxyalkanoate) + + + 2'-deoxyribonucleoside diphosphate - + - - - poly(hydroxybutyrate) + + + + + + + + + + + + + + + + + + + + + + 5-(2-hydroxyethyl)-4-methylthiazole - + - - - poly(hydroxyvalerate) + + + alkyl cinnamate - + - - - poly(3-hydroxyvalerate) + + + + + + + + + + + oxidized Renilla luciferin - + - - - poly(5-hydroxyvalerate) + + + 3-oxopropanoic acid - + - - - heptasaccharide + + + farnesyl triphosphate - + - - - 2,6-dideoxy-alpha-D-glucoside + + + + + + + + + + + + + + + CDP-diacylglycerol - + - - - neomycin C + + + pipecolic acid - + - - - EC 1.1.1.205 (IMP dehydrogenase) inhibitor + + + + + + + + + + + + + + + + isoorientin - + - - - antispasmodic drug + + + cyclohexyl isocyanide - + - - - - - + + - + - + + urethane + + + + + + + + - + - + - + - gliotoxin + butyrate - + - - - globin + + + + + + + + + + + + + + + + sedoheptulose 1,7-bisphosphate - + - - - glucagon + + + N-acyl-D-mannosaminolactone - + - - - gluconapin(1-) + + + ribonucleoside triphosphate - + - - - glucosamine + + + + + + + + + + + + + + + + alpha-D-galactose 1-phosphate - + - - - - piperidine-2,6-dione + + + 5,10-(methanylylidene)tetrahydromethanopterin - + - - + + - + - glyceraldehyde - - - - - - - - - glycerophosphoglycerol + + + + + + + ubiquinol - + - - - gramicidin S + + + + 1,4-benzosemiquinone - + - - - - mu-opioid receptor agonist + + + + 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid - + - - - antidiarrhoeal drug + + + aldehydo-L-xylose - + - - - gastrointestinal drug + + + + + + + + + + + + + + + + + 3'-phospho-5'-adenylyl sulfate - + - - - + + + - + - + - granaticin + O-acetyl-L-serine - + - - - deoxyribonucleotide residue + + + 6-acetamido-3-oxohexanoate - + - - - imidazolidinone + + + UDP-L-arabinose - + - - + + + + - - + + - beta-hydroxy ketone - - - - - - - - - cephamycin - - - - - - - - - 7-hydroxyisoflavones + acyl-CoA - + - - - glycerol 1-phosphodiester + + + + + + + + + + + + + + + adenosine 3',5'-bismonophosphate - + - - - 1,2-benzisothiazole + + + + + + + + + + + + + + + + + + + + + + + + + + + benzyl alcohol - + - - - laminaritriose + + + daphnin - + - - - haloalkene + + + + 1-O-(indol-3-ylacetyl)-beta-D-glucose - + - - - - - - + + - + - + - + - + - + - haloperidol - - - - - - - - - hemiacetal - - - - - - - - - propan-1-aminium - - - - - - - - - heterocyclic compound - - - - - - - - - - - + - + - papulacandin B + sucrose - + - - - - echinocandin + + + 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine - + - - - 2-methylbut-2-enoyl-CoA(4-) + + + D-ribose 1,5-bisphosphate - + - - + + + - + - 3-(3-hydroxyphenyl)propanoate + + + + + + + chloride - + - - + + + + - + - + - coenzyme A(4-) + dinitrogen - + - - + + - + @@ -65800,356 +68404,280 @@ - acetyl-CoA(4-) + 4-methylpentanal - + - - - - blasticidin S(1+) + + + + 4-chloro-2-methylphenol - + - - - - - - - - + + + + aralkylamine + + + + + + + + + + + + + - + - succinyl-CoA(5-) + (-)-secologanin - + - - + + + 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid + + + + + + + + + D-hamamelose + + + + + + + + + - + - + - ATP(3-) + + + + + + + keto-phenylpyruvate - + - - - glycine zwitterion + + + 3-[hydroxy(oxido)phosphoranyl]pyruvic acid - + - - - - - - - - + + + - + - protoporphyrinogen(2-) + NADP(+) - + - - - + + + - + - + - uroporphyrinogen III(8-) + 3',4',5-trihydroxy-3,7-dimethoxyflavone - + - - - - - - - - - (R)-methylmalonyl-CoA(5-) + + + + + androstane-3alpha,17beta-diol - + - - + + - + - 2-methylbutanoyl-CoA(4-) - - - - - - - - - + - 3-methylbut-2-enoyl-CoA(4-) + fumaric acid - + - - - - - - - - - isovaleryl-CoA(4-) + + + + 4-O-feruloyl-D-quinic acid - + - - - benzoyl-CoA(4-) + + + CMP-3-deoxy-alpha-D-manno-octulosonic acid - + - - - + + + - + - butyryl-CoA(4-) + oxidized Latia luciferin - + - - + + + - + - + - malonyl-CoA(5-) + 3',4',5-trihydroxy-3,6,7-trimethoxyflavone - + - - - + + + + + - + - + - propionyl-CoA(4-) - - - - - - - - - - - - prostaglandin I2(1-) - - - - - - - - - D-alanine zwitterion - - - - - - - - - (2-aminoethyl)phosphonic acid zwitterion - - - - - - - - - L-leucine zwitterion - - - - - - - - - sarcosine zwitterion - - - - - - - - - - - - - + - + - S-adenosylmethioninaminium - - - - - - - - - - + - thromboxane A2(1-) - - - - - - - - - + - 5(S)-HPETE(1-) - - - - - - - - - - + @@ -66158,41 +68686,25 @@ - dihydrofolate(2-) - - - - - - - - - - - - - - - + - 10-formyltetrahydrofolate(2-) + L-lysine - + - - - + + - + @@ -66201,168 +68713,163 @@ - leukotriene B4(1-) + 4-trimethylammoniobutanal - + - + - - + - + - leukotriene A4(1-) + phosphoenolpyruvate - + - - - - - - - - + + + - 5'-xanthylate(2-) + thiocyanate - + - - - - - - - - + + - + - (N(omega)-L-arginino)succinate(1-) + sirohydrochlorin - + - - - L-homoserine zwitterion + + + D-galacturonic acid - + - - - UTP(3-) + + + 2-hydroxypropyl dihydrogen phosphate - + - - + + - + - + - trimethylenediaminium + 2,3-dihydroxybenzoic acid - + - - - carnosine zwitterion + + + (-)-aristolochene - + - - - hydrogen phosphonatoacetate(2-) + + + dihydromacarpine - + - - - staurosporinium + + + + quercetin 3,4'-bissulfate - + - - - isopropylaminium + + + + + + + + + + 4-amino-2-methyl-5-phosphooxymethylpyrimidine - + - - - dolichyl diphosphate(3-) + + + 2-formylphenylformamide - + - + - - + @@ -66371,42 +68878,16 @@ - 2-oxoadipate(2-) - - - - - - - - - L-dopa zwitterion - - - - - - - - - cephalosporin C(1-) - - - - - - - - - D-octopine dizwitterion + 4-fumarylacetoacetate(2-) - + - - + + + @@ -66419,149 +68900,149 @@ - GDP-alpha-D-mannose(2-) - - - - - - - - - geranylgeranyl diphosphate(3-) + diglyceride - + - - - - - - - - - - - - - - + + + - NAD(1-) - - - - - - - - - 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) + triphosphate(5-) - + - - - CDP-N-methylethanolamine(1-) + + + 3-oxolauric acid - + - - - tropinium + + + GDP-L-galactose - + - - - long-chain fatty acid anion + + + N-phospho-L-lombricine - + - - - ADP-L-glycero-D-manno-heptose(2-) + + + + + + + + + + erythro-5-hydroxy-L-lysine - + - - + + + + + + + + - 2'-deoxycytosine 5'-monophosphate(2-) + (S)-lactaldehyde - + - - - dolichyl diphosphooligosaccharide(2-) + + + (S)-2,3-dihydrodipicolinic acid - + - - - UDP-D-apiose(2-) + + + + + ricinine - + - - - - poly(glycerol phosphate) anion macromolecule + + + dialkyl ketone - + - - + + + 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde + + + + + + + + - + + + + + + + @@ -66570,217 +69051,130 @@ - D-fructose 6-phosphate(2-) - - - - - - - - - diphthamide zwitterion - - - - - - - - - discadenine zwitterion + dihydrolipoic acid - + - - + + + + + - + - + - biotinate + DIMBOA - - - - - phosphatidyl-N-methylethanolamine zwitterion - - - + - - - - + + + + + - + - + - O-phosphonato-L-homoserine(2-) - - - - - - - - - + - cyclohexylsulfamate - - - - - - - - - - L-histidine zwitterion - - - - - - - - - + - + - sn-glycerol 3-phosphate(2-) - - - - - - - - - - + - GTP(3-) + + + + + + + piperidine - + - - + + + + + - + - + - ethanolaminium(1+) - - - - - - - - - phosphatidylethanolamine zwitterion - - - - - - - - - + - ITP(3-) - - - - - - - - - - poly(ribitol phosphate) polyanion - - - - - - - - - + - + - + @@ -66789,167 +69183,200 @@ - prenyl diphosphate(3-) + L-glutamine - + - - + + - + - D-glucopyranose 1-phosphate(2-) + L-aspartic 4-semialdehyde - + - - - gamma-amino-beta-hydroxybutyric acid zwitterion + + + loganate - + - - - + + + - + - UDP-alpha-D-xylose(2-) + + + + + + + 1-aminocyclopropanecarboxylic acid - + - - - UDP-alpha-D-galacturonate(3-) + + + diphthine - + - - - - - - - - + + + - + - glycerone phosphate(2-) - - - - - - - - - - 1,2-diacyl-sn-glycero-3-phosphocholine + N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide - + - - + + + + - + + vellosimine + + + + + + + + - + - 2-deoxy-D-ribose 5-phosphate(2-) + oxamic acid - + - - - chondroitin D-glucuronate anion + + + lipid - + - - - - - - - - - - 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) + + + 1-haloalkane - + - - - + + + + 4-guanidinobutanamide + + + + + + + + + + + 2-O-acyl-3-O-beta-D-galactosyl-sn-glycerol + + + + + + + + + 3-hydroxyisobutyric acid + + + + + + + + + deacetylcephalosporin C + + + + + + + + + UDP-D-glucose + + + + + + + + - + - + - O-succinyl-L-homoserinate(1-) - - - - - - - - - + @@ -66958,35 +69385,43 @@ - dADP(3-) + phylloquinone - + - - - + + - + - D-ornithinium(1+) + cytochrome c - + - - + + + (methylthio)acetate + + + + + + + + - + @@ -66995,129 +69430,164 @@ - 2'-deoxyguanosine 5'-monophosphate(2-) + 5-hydroxyisouric acid - + - - + + + + xanthoaphin + + + + + + + + + - + - N-acylsphingosine 1-phosphate(2-) + + + + + + + dTDP - + - - + + + - + - dolichyl phosphate(2-) + + + + + + + dTTP - + - - + + + + 2-dehydro-3-deoxy-L-rhamnonic acid + + + + + + + + + 5-oxo-2,5-dihydro-2-furylacetic acid + + + + + + + + - + - sn-glycerol 1-phosphate(2-) + 3-hexaprenyl-4,5-dihydroxybenzoic acid - + - - - N(6)-acyl-L-lysine zwitterion + + + + 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose - + - - + + - + - FAD(3-) + 1-methyladenine - + - - - quercetin-7-olate + + + + + testololactone - + - - - cationic chitosan + + + glycosaminoglycan - + - - - + + - + - + - UDP-N-acetyl-alpha-D-glucosamine(2-) - - - - - - - - - - + @@ -67126,94 +69596,137 @@ - 4-oxobutanoate + indol-3-ylacetaldehyde - + - - - O-acetyl-L-homoserine zwitterion + + + myo-inositol polyphosphate - + - - - D-tryptophan zwitterion + + + + + + + + + + + + + + + + formononetin - + - - + + - + - dCTP(3-) + + + + + + + N-benzoylglycine - + - - - D-proline zwitterion + + + + 3-aminopropanal - + - - - 2-oxosuccinamate + + + + + asparagusic acid - + - - - 2-arylpropionate + + + 8'-apo-beta-carotenol - + - - + + + + + + 17,21-dihydroxy-5beta-pregnane-3,11,20-trione + + + + + + + + + + + - + - phosphatidate(2-) + 1,4-dihydroxy-2-naphthoic acid - + - - + + - + + + + + + + @@ -67222,53 +69735,60 @@ - 3',5'-cyclic GMP(1-) + trans-4-hydroxy-L-proline - + - - - vindolinium(1+) + + + + + + + + + CMP-N-glycoloyl-beta-neuraminic acid - + - - + + + - + - sphingosine(1+) + cyclohexanol - + - - - D-threonine zwitterion + + + multi-methyl-branched fatty acyl-CoA - + - - - + + + - + @@ -67280,7 +69800,7 @@ - + @@ -67289,94 +69809,74 @@ - pyridoxaminium(1+) - - - - - - - - - L-valine zwitterion + 4-hydroxyphenylacetic acid - + - - - - - - - - - - - - - - + + + - NADPH(4-) + O-octanoyl-L-carnitine - + - - - 1-deoxy-D-xylulose 5-phosphate(2-) + + + + + L-tyrosine methyl ester 4-sulfate - + - - - - - - - - - dGTP(3-) + + + + 2-dehydro-3-deoxy-D-fuconic acid - + - - - - - - - - - CMP-N-acetyl-beta-neuraminate(2-) + + + + + deacetylipecoside - + - - + + + - + + + + + + + @@ -67385,271 +69885,299 @@ - sphinganine(1+) + xanthosine - + - - - + + - + - + - spermidine(3+) + 3-phosphonatooxypyruvate(3-) - + - - - + + + ribosomal RNA + + + + + + + + - + - 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) + 2-aminophenol - + - - - L-methionine zwitterion + + + + D-galactosyl-(1->3)-N-acetyl-beta-D-galactosamine - + - - - - - - - - - UDP-N-acetyl-D-galactosamine(2-) + + + 4-hydroxymandelonitrile - + - - - - - - - - - - - - - - - prephenate(2-) + + + pseudouridine 5'-phosphate - + - - - hypotaurine zwitterion + + + + 3-ADP-2-phosphoglyceric acid - + - - - S-adenosyl-L-homocysteine zwitterion + + + L-xylono-1,4-lactone - + - - + + + ethyl 3-oxohexanoate + + + + + + + + + 5-aminopentanamide + + + + + + + + + - atropinium - - - - - - - - - + - dethiobiotin(1-) + + + + + + + N-methylnicotinate - + - - - diphthamide(2+) residue + + + + + + + + + phosphonoacetaldehyde - + - - - - - + + + - + - + - uridine 5'-monophosphate(2-) + trans-2-coumaric acid - + - - - 3-methylthiopropylaminium + + + + + S-acylglutathione - + - - - nucleoside 5'-phosphate dianion + + + + + + + + + + + + + + + + + + + + + + + + + + + cadaverine - + - - - 6-aminopenicillanic acid zwitterion + + + + + + + + + + + + luteolin 7-O-beta-D-glucosiduronic acid - + - - - codeine(1+) + + + + (S)-2-hydroxyoctadecanoic acid - + - - - (S)-reticulinium(1+) + + + (-)-5-oxo-1,2-campholide - + - - - - - - - - - - - - - - - CDP-ethanolamine(1-) + + + + + + licodione - + - - - + + - + - 1-phosphatidyl-1D-myo-inositol(1-) - - - - - - - - - + - + @@ -67658,294 +70186,249 @@ - tryptaminium + phosphocholine - + - - - berbamuninium(2+) + + + hexose - + - - + + + + + 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid + + + + + + + + - + - + - 1D-myo-inositol 1,3,4,5-tetrakisphosphate(8-) - - - - - - - - - - L-tryptophan zwitterion - - - - - - - - - + - 4-nitrophenolate - - - - - - - - - bis(3-azaniumylpropyl)azanium + catechol - + - - - - - - coenzyme gamma-F420-2(5-) + + + + + + + + + 3-(2,3-dihydroxyphenyl)propanoic acid - + - - - + + + - + - 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) + heparan sulfate alpha-D-glucosaminide - + - - + + + biuret + + + + + + + + + - + - + - glutathionate(1-) - - - - - - - - - L-threonine zwitterion + trimethylamine - + - - - nucleoside 5'-diphosphate(3-) + + + + + + + + + hydrogen halide - + - - - D-ribofuranosyl-ADP(2-) + + + N(6')-acetylkanamycin B - + - - - D-methionine zwitterion + + + + all-trans-nonaprenyl diphosphate - + - - + + - + - + - sphinganine 1-phosphate(1-) - - - - - - - - - chlorophyllide a(1-) - - - - - - - - - + - + - + - NADH(2-) - - - - - - - - - creatine zwitterion - - - - - - - - - - + - + - L-saccharopinate(1-) - - - - - - - - - - 3-cyano-L-alaninate - - - - - - - - - - lipid X(2-) + + + + + + + + + + + + + + + + + + + (+)-alpha-tocopherol - + - - - L-kynurenine zwitterion + + + (R)-canadine - + - - - beta-alanine zwitterion + + + beta-maltose - + - - + + - + @@ -67954,426 +70437,488 @@ - ADP-D-ribose(2-) + alpha-D-glucose 1,6-bisphosphate - + - - - + + - + - 1-acyl-sn-glycerol 3-phosphate(2-) - - - - - - - - - L-alanine zwitterion + aureusidin - + - - - + + - + - bilirubin(2-) - - - - - - - - - D-phenylalanine zwitterion + 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid - + - - + + + - + - GDP-L-fucose(2-) + menaquinol - + - - + + + - + - riboflavin(1-) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + myricetin - + - - - - 2-dehydro-3-deoxy-D-gluconate + + + + + + + + + + + + + + + + ethene - + - - - primary aliphatic ammonium ion + + + + polysaccharide - + - - - streptomycin(3+) + + + + (S)-1,2-didecanoylglycerol - + - - + + - + - + - 5-O-phosphonato-alpha-D-ribofuranosyl diphosphate(5-) + aerobactin - + - - - - octopaminium + + + ribose 5-triphosphate - + - - - - - - - - + + - + - glyceraldehyde 3-phosphate(2-) - - - - - - - - - - dimethylaminium + alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine - + - - - nucleoside 5'-monophosphate(2-) + + + + + + (2S)-2-hydroxyphytanic acid - + - - - L-isoleucine zwitterion + + + isopenicillin N - + - - - 3,5-dibromo-4-oxidobenzonitrile(1-) + + + alpha-maltose - + - - - L-asparagine zwitterion + + + 2-oxophytanic acid - + - - - + + - + - UDP-alpha-D-glucuronate(3-) + 1D-myo-inositol 3-phosphate - + - - - - - - - - - - - - - - - IMP(2-) + + + selenic acid - + - - + + + 8-O-methylsterigmatocystin + + + + + + + + + fluoroacetate + + + + + + + + - + + 2-coumaric acid + + + + + + + + + N-acetylphenylethylamine + + + + + + + + + phosphoinositide + + + + + + + + + + - + - geranyl diphosphate(3-) + 5-oxo-L-proline - + - - + + + 3,5,3'-triiodothyropyruvic acid + + + + + + + + - + - + - + - homocysteine zwitterion + + + + + + + gamma-tocopherol - + - - + + + - - + + - + - CDP(3-) + tyrosine - + - - - - - - - - - dehydroascorbide(1-) + + + (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate - + - - - carbon monoxide(1+) + + + (S)-3-aminoisobutyrate - + - - - D-nopalinate(1-) + + + + 10-deacetylbaccatin III - + - - - glycerol 2-phosphate(2-) + + + + alpha,alpha'-trehalose 6,6'-bismycolate - + - - + + - + - N-phosphocreatinate(2-) - - - - - - - - - L-phenylalanine zwitterion + ditrans,polycis-undecaprenyl diphosphate - + - - - - morphine(1+) + + + 4-amino-4-deoxychorismic acid - + - - - - 5,6,7,8-tetrahydromethanopterin(3-) + + + + + + + + + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine - + - - - nucleoside triphosphate(3-) + + + + + + + + + + + + isoscoparin - + - - + + - + @@ -68382,184 +70927,169 @@ - guanosine 5'-monophosphate(2-) + L-iditol - + - - - (S)-2-acetamido-6-oxopimelate(2-) + + + penicillin N - + - - - (2S)-2-hydroxy monocarboxylic acid anion + + + + + 16,17-didehydroprogesterone - + - - - - - - - - - - - - - - - myo-inositol hexakisphosphate(12-) + + + + alpha-D-mannose 1-phosphate - + - - - - (R)-reticulinium(1+) + + + 2-amino-5-oxocyclohex-1-enecarbonyl-CoA - + - - - - - - - - - agmatinium(2+) + + + N-acetyl-D-galactosamine 6-phosphate - + - - + + + - + - 3-hydroxyphenylacetate + + + + + + + benzylpenicillin - + - - - methanofuranate(4-) + + + + CoM-S-S-CoB - + - - - - - - - - - - (S)-atropinium + + + hyponitrite(2-) - + - - + + - + - + - 3',5'-cyclic AMP(1-) - - - - - - - - - L-arogenate(1-) + citrulline - + - - - - alginate + + + selenite(2-) - + - - + + + + + + - + - + - GDP(3-) + syringetin - + - - + + - + + + + + + + @@ -68568,325 +71098,431 @@ - O-phosphonatoethanaminium(1-) + alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine - + - - - quercitrin-7-olate + + + + alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc - + - - - 3alpha(S)-strictosidinium(1+) + + + 2'-hydroxybiphenyl-2-sulfinate - + - - + + + isoflavone + + + + + + + + - + - L-homocysteine zwitterion + xylose - + - - + + - + - + + isoeugenol + + + + + + + + - FMN(3-) + myo-inositol 1,3-bisphosphate - + - - + + + (R)-6-hydroxynicotine + + + + + + + + - + - dUTP(3-) + sterigmatocystin - + - - + + - + - kanamycin A(4+) + 1D-myo-inositol 1,3,4-trisphosphate - + - - - guanosine 3',5'-bis(diphosphate)(6-) + + + deacetoxycephalosporin C - + - - - - - - - - - pentachlorophenolate + + + + chlorophyll a - + - - + + - + + arsenic acid + + + + + + + + - + - UDP(3-) + D-galactosamine 6-phosphate - + - - - GDP-6-deoxy-alpha-D-mannose(2-) + + + + xyloglucan - + - - + + + + alpha,alpha'-trehalose 6-mycolate + + + + + + + + + 6-demethylsterigmatocystin + + + + + + + + - - + + - + - carbamoyl phosphate(2-) + glutamic acid - + - - - CTP(3-) + + + ditrans,polycis-decaprenyl diphosphate - + - - - + + + + + 4-hydroxy-L-proline + + + + + + + + + + 2'-deoxyribonucleoside 5'-monophosphate + + + + + + + + + + cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid + + + + + + + + - + - + - 5'-adenylyl sulfate(2-) - - - - - - - - - + - + - 2'-deoxyadenosine 5'-monophosphate(2-) - - - - - - - - - + - (S,S,S)-nicotianamine trizwitterion + + + + + + + + + + + + + dopamine - + - - - S-methyl-L-methionine zwitterion + + + 1-alkyl-sn-glycero-3-phosphoethanolamine - + - - + + + (1->4)-beta-D-glucan + + + + + + + + + + - + - aldehydo-D-ribose 5-phosphate(2-) + + + + + + + 5-amino-6-(5-phospho-D-ribitylamino)uracil - + - - + + - + - dehydro-D-arabinono-1,4-lactone(1-) + + + + + + + iron atom - + - - + + - - - - - - - IDP(3-) + ergosta-5,7,22,24(28)-tetraen-3beta-ol - + - - - trypanothione(1+) + + + + + + + + + chondroitin 4'-sulfate - + - - - 2-oxo-2H-pyran-4,6-dicarboxylate + + + UDP-D-galactofuranose - + - - + + + + + + + + + @@ -68899,81 +71535,104 @@ - FADH2(2-) - - - - - - - - - (2R)-2-hydroxy monocarboxylic acid anion + zymosterol - + - - - L-tyrosine zwitterion + + + 5-guanidino-2-oxopentanoate - + - - - - N-carbamoylputrescinium(1+) + + + + ribonucleoside - + - - - coenzyme M(1-) + + + + + + + + + + nebularine - + - - - N(omega),N(omega)-dimethyl-L-argininium(1+) + + + 4-formylbenzenesulfonic acid - + - - + + + + + + + + - CDP-diacylglycerol(2-) + + + + + + + + + + + + + ornithine - + - - - + + + + - + + + + + + + @@ -68982,37 +71641,27 @@ - 3'-phosphonato-5'-adenylyl sulfate(4-) - - - - - - - - - UDP-L-arabinose(2-) - - - - - - - - - acyl-CoA(4-) + 3,3',5-triiodo-L-thyronine - + - - + + + + - + + + + + + + @@ -69021,21 +71670,39 @@ - adenosine 3',5'-bismonophosphate(4-) + N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide - + - - + + - + + + + + + + + N-carbamoyl-beta-alanine + + + + + + + + + + + @@ -69045,71 +71712,70 @@ - + - NADP(3-) + dodecanoate - + - - - GDP-L-galactose(2-) + + + 1-(5-phospho-D-ribosyl)-ATP - + - - - - - - - - - - L-glutamine zwitterion + + + 2-aminopteridin-4-ol - + - - + + - 1-aminocyclopropanecarboxylic acid zwitterion + 1D-4-O-methyl-myo-inositol - + - - - diphthinate + + + + + + + + + 5-oxo-4,5-dihydro-2-furylacetic acid - + - - + + - + @@ -69118,19 +71784,70 @@ - UDP-D-glucose(2-) + D-glucurono-6,3-lactone - + - - + + + (1->6)-alpha-D-glucan + + + + + + + + + 2',3'-cyclic nucleotide + + + + + + + + + N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide + + + + + + + + + + 2'-deoxyribonucleoside + + + + + + + + + + - + + + + + + + + + + + + + @@ -69139,202 +71856,287 @@ - dTDP(3-) + + + + + + + dihydrogen - + - - + + - dTTP(3-) + N-(5-phosphonato-beta-D-ribosyl)anthranilate - + - - + + - + - cadaverine(2+) + + + + + + + N-acetyl-D-glucosaminyldiphosphodolichol - + - - + + + + + + + + - trimethylammonium + phenylglyoxylic acid - + - - - aerobactinate(3-) + + + + + + + + + 2,5-didehydro-D-gluconic acid - + - - - (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-) + + + nucleobase - + - - + + - + - 1D-myo-inositol 1,3,4-trisphosphate(6-) + alpha,alpha-trehalose 6-phosphate - + - - - - chlorophyll a(1-) + + + thiamine(1+) triphosphate(1-) - + - - + + + + + + + + + + (S)-stylopine + + + + + + + + - 4-hydroxy-L-proline zwitterion + L-fucose - + - - - - - chondroitin 4'-sulfate anion + + + (S)-2-hydroxypropyl-CoM - + - - + + + quinolin-2(1H)-one + + + + + + + + - + - alpha,alpha-trehalose 6-phosphate(2-) + + + + + + + manganese atom - + - - + + + + + + + + - jasmonate(1-) + jasmonic acid - + - - + + + + - + - + - histaminium + 5-methoxypsoralen - + - - - phosphatidyl-L-serine(1-) + + + + + + + + + + + + + + + + + + + + + + histamine - + - - - deamido-NAD(2-) + + + chondroitin 6'-sulfate - + - - + + - + + + + + + + @@ -69343,282 +72145,364 @@ - UDP-D-galactose(2-) + 1D-myo-inositol 1-phosphate - + - - - pyrroloquinoline quinone(3-) + + + + 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone - + - - - L-thyroxine zwitterion + + + 1-C-(indol-3-yl)glycerol 3-phosphate - + - - + + - + - kynurenate - - - - - - - - - - 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) - - - - - - - - - + - + - 7,8-dihydroneopterin 3'-triphosphate(4-) + maleic acid - + - - - nucleoside 3',5'-cyclic phosphate anion + + + + cis,trans-4-hydroxymuconic semialdehyde - + - - - - - dermatan sulfate polyanion + + + + + + + + + + + + + + + 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide - + - - - - N(omega)-phosphonato-L-arginine + + + + + + + + + + + phosphatidyl-L-serine - + - - - N-acyl-L-aspartate(2-) + + + + + + + + + + + + + + + + + + + + + + + + + + + deamido-NAD(+) - + - - - L-pyrrolysine zwitterion + + + + + + + + + + + + + + + + hydroquinone O-beta-D-glucopyranoside - + - - - ectoine zwitterion + + + thiamine(1+) carboxylic acid - + - - + + - D-ribosylnicotinate + UDP-D-galactose - + - - - - - (Kdo)2-lipid A(6-) (E. coli) + + + + + + + + + acrylic acid - + - - - - kanamycin B(5+) + + + + alkane - + - - - 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate(2-) + + + quinoline-4-carboxylic acid - + - - - - (S)-2-amino-6-oxopimelate + + + 4-(hydroxymethyl)benzenesulfonic acid - + - - - ajmalinium + + + + + + + + + + + + + + + alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide - + - - - D-tyrosine zwitterion + + + + + + + + + + L-2-aminopentanoic acid - + - - - kaempferol oxoanion + + + + + + + + + + + pyrroloquinoline quinone - + - - + + + - + - + - beta-D-fructofuranose 2,6-bisphosphate(4-) + 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol - + - - - tetrahydrofolyl-poly(glutamate) macromolecule + + + N-acetyl-LL-2,6-diaminopimelate(2-) - + - - - flavonol oxoanion + + + + + + + + + + galactosylceramide sulfate - + - - + + - + - + - dCDP(3-) + SAICAR - + - - + + + - + + + + + + + @@ -69627,229 +72511,322 @@ - dGDP(3-) + 1,4-dithiothreitol - + - - - - coenzyme B(3-) + + + + + + + + + + 1-(sn-glycero-3-phospho)-1D-myo-inositol - + - - - - gibberellin A12(2-) + + + + + + 6-oxohexanoate - + - - - 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate(3-) + + + + + + + + + + + + + + + + anserine - + - - - N,N-dimethylethanolamine phosphate(1-) + + + 2-succinatobenzoate - + - - + + + - + - alpha-D-galacturonate - - - - - - - - - but-2-enoyl-CoA(4-) + N-formimidoyl-L-glutamate(2-) - + - - - - 1,6-anhydro-N-acetyl-beta-muramate + + + 13-hydroxylupanine - + - - + + + + - D-tagatofuranose 6-phosphate(2-) + + + + + + + 5alpha-androstane-3beta,17beta-diol - + - - - + + + - + - + + isovitexin + + + + + + + + + + + + - + - + - + - imidacloprid - - - - - - - - - - + - phosphonatoenolpyruvate + L-thyroxine - + - - - - N-acetyl-beta-neuraminate + + + D-arabinitol - + - - - UDP-4-amino-4-deoxy-beta-L-arabinopyranose(1-) + + + + adenosine 5'-(pentahydrogen tetraphosphate) - + - - - UDP-4-deoxy-4-formamido-beta-L-arabinopyranose(2-) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + pyridoxamine 5'-phosphate - + - - - 4-azaniumyl-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate + + + + + + + + + + + + + + + + 4-(phosphonooxy)-L-threonine - + - - - - lipid A(4-) + + + + + + + + + + + 5-amino-6-(5-phospho-beta-D-ribosylamino)uracil - + - - - - beta-L-Ara4N-lipid A(2-) + + + cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid - + - - - S-substituted L-cysteine zwitterion + + + diacetylchitobiosyldiphosphodolichol - + - - - + + + - + + + + + + + + + + + + + + + + + + + + + + + + + @@ -69858,3132 +72835,3932 @@ - D-glucopyranuronate + kynurenic acid - + - - + + + + - + - 2-ammonio-2-deoxy-D-glucopyranose + + + + + + + + + + + + + + + + + + + vanillin - + - - - - + + + + L-norleucine + + + + + + + + - + - 6-phosphonatooxy-D-gluconate + + + + + + + 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate - + - - - CDP-choline(1-) + + + + + + + + + + + + + + + + N(1)-(5-phospho-D-ribosyl)glycinamide - + - - - c-di-GMP(2-) + + + isoquinolin-1(2H)-one - + - - - secondary aliphatic ammonium ion + + + + + 4-hydroxyhexan-3-one - + - - - phosphinothricin(1-) + + + + + + + + + + vanillyl alcohol - + - - - 2-hydroxy carboxylate + + + (R)-2-hydroxypropyl-CoM - + - - - - sphingosine-1-phosphocholine(1+) + + + + + 2-hydroxypenta-2,4-dienoic acid - + - - - thiamine(1+) diphosphate(3-) + + + + pyrroloquinoline quinol - + - - - cyclic tetrapyrrole anion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + (R)-noradrenaline - + - - - amino-acid cation residue + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + methoxsalen - + - - - alpha-amino-acid cation residue + + + + + + + + + + + + + + + + + + + + + holo-[acyl-carrier protein] - + - - - dialkyl phosphate anion + + + 13-(2-methylcrotonoyloxy)lupanine - + - - - - organophosphate oxoanion + + + diphosphate(4-) - + - - - acyl-CoA oxoanion + + + + + + + 17-O-deacetylvindoline - + - - - very long-chain fatty acid anion + + + + reticulinylium - + - - - short-chain fatty acid anion + + + + + + + + + + + + + + + + + + + + + 14-demethyllanosterol - + - - - saturated fatty acid anion + + + naphthalene-1,3,6,8-tetrol - + - - - straight-chain saturated fatty acid anion + + + + phosphate(3-) - + - - - branched-chain fatty acid anion + + + + + + + + + + + + + + + D-glucosyl-N-acylsphingosine - + - - - - branched-chain saturated fatty acid anion + + + + + 7-deoxyloganin - + - - - - organosulfate oxoanion + + + cis-4-carboxymethylenebut-2-en-4-olide - + - - - + + + + - + - + - polymyxin + 7,8-dihydroneopterin 3'-triphosphate - + - - - - EC 3.4.24.* (metalloendopeptidase) inhibitor + + + (7S)-salutaridinol - + - - - antigen + + + + + + + + + 1-(5-phospho-beta-D-ribosyl)-5'-AMP - + - - - gibberellin carboxylic acid anion + + + nucleoside 3',5'-cyclic phosphate - + - - - biomarker + + + + + + + + + + + + + + + + dermatan sulfate - + - - - hapten + + + + N-formylkynurenine - + - - - straight-chain fatty acid + + + 4alpha-methyl-5alpha-cholest-7-en-3beta-ol - + - - - straight-chain fatty acid anion + + + + + + + + + nitrile - + - - - - + + - + - phenolic phthiocerol + 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate - + - - - cyclic fatty acid + + + + + + + + + + + + + + + 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide - + - - - EC 3.4.21.* (serine endopeptidase) inhibitor + + + + + + + + + + + + 3-aminoalanine - + - - - + + - + - phthiocerol + + + + + + + 1D-myo-inositol 4-phosphate - + - - - linear tetrapyrrole anion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + thiamine(1+) - + - - - - amino trisaccharide + + + + + + + + + + + + + + + quinaldic acid - + - - - beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc + + + + N-formimidoyl-L-aspartate(2-) - + - - - - prostaglandin carboxylic acid anion + + + + + + + + + + + + + + + apigenin - + - - + + - methylammonium - - - - - - - - - 5,6,7,8-tetrahydrosarcinapterin + N-acyl-beta-D-galactosylsphingosine - + - - - - amino tetrasaccharide + + + + + + + + + + + + + + + D-gluconate - + - - + + - + - muramyl dipeptide + bis(beta-glucosyluronic acid)bilirubin - + - - - - 2-phospho-L-lactate + + + naphthalene-1,3,8-triol - + - - + + - + - phosphatidylinositol mannoside + + + + + + + + + + + + + 6-O-alpha-D-glucopyranosyl-D-fructofuranose - + - - - beta-D-galactofuranose + + + 2-dehydropantolactone - + - - - DNA synthesis inhibitor + + + + + + + + + + + + + + + + + + + + + beta-D-mannosyldiacetylchitobiosyldiphosphodolichol - + - - + + + + - + - + - lipoarabinomannan + + + + + + + 2-phenylethylamine - + - - - - - - - F420-0(2-) + + + linear maltodextrin - + - - - - - - F420-0 + + + codeinone - + - - - - pyrimidoquinolines + + + + + + + + + 2-hydroxy-1,4-benzoquinone - + - - - - - + + - + - coenzyme gamma-F420-2(4-) + + + + + + + + + + + + + + + + + + + phenylacetate - + - - - phosphoantigen + + + + + + + + + + + + + 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid - + - - - essential fatty acid + + + + + + + + + + + + + + + + + + + + + L-arabinitol - + - - - medium-chain fatty acid + + + + + + + + + 3-methylcatechol - + - - - medium-chain fatty acid anion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + pyridoxal 5'-phosphate - + - - - diamino acid anion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + AICA ribonucleotide - + - - - - thermospermine + + + + + + + + + + + + + + + + + + + + + + hydrogen cyanide - + - - - (1->2)-beta-D-mannan + + + + + + + + + + + + + + + + + + + + + + + + + + + + cobamamide - + - - - arabinofuranosyl group + + + + + + + + + + + + + + + (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid - + - - + + - + - N-acetylglucosamine + N-formylanthranilate - + - - - - thia fatty acid + + + laminarabiose - + - - - - oxo fatty acid + + + + + + + + + + + + N(omega)-phospho-L-arginine - + - - - antipruritic drug + + + + + + + + + + + + + + + + + 2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine - + - - - phosphoric acids + + + N-formimidoylglycine - + - - - - - - HPETE anion + + + + + + + + + N-[(R)-pantothenoyl]-L-cysteine - + - - - ribonucleoside triphosphate oxoanion + + + (RS)-coclaurine - + - - - - - - - - + + + (RS)-norcoclaurine + + + + + + + + + - + - pyridoxal 5'-phosphate(2-) + lactaldehyde - + - - - nucleotide-sugar oxoanion + + + + + magnesium(2+) - + - - - - electrophilic reagent + + + + + + + + + + + + + + + + + + + + + + + + superoxide - + - - - - nucleophilic reagent + + + + + + + + + + + + + + + + + + + + + sulfur dioxide - + - - - iron chelate + + + + + + + + + 2-C-methyl-D-erythritol 2,4-cyclic diphosphate - + - - + + - + - boric acids + 1D-myo-inositol 1,2-cyclic phosphate - + - - - aliphatic aldehyde + + + + + + + + + 1D-1-O-methyl-myo-inositol - + - - - acetal + + + + dehydrovomifoliol - + - - - - cyclic acetal + + + + + + 3-hydroxy-16-methoxy-2,3-dihydrotabersonine - + - - - hemiketal + + + + + + + + + + + + + 7alpha,26-dihydroxycholesterol - + - - - ketal + + + + + + + + + + + + + + + + (+)-7-isojasmonic acid - + - - - - cyclic ketal + + + + 4-hydroxy-3-polyprenylbenzoic acid - + - - - - cyclic hemiketal + + + (R)-mandelonitrile - + - - - - S-adenosyl-L-methionine zwitterion + + + (-)-cis-sabinol - + - - - thioacetal + + + (1->3,1->4)-beta-D-glucan - + - - - monothioacetal + + + + (1S,2S,4R)-limonene-1,2-diol - + - - + + + - (S)-nicotinium(1+) + 5alpha-campestan-3-one - + - - - + + + campest-4-en-3-one + + + + + + + + + - - + + - + - docetaxel trihydrate + 5-methyltetrahydrofolate(2-) - + - - - L-alpha-amino acid anion + + + (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde - + - - - CMP-3-deoxy-alpha-D-manno-octulosonate(2-) + + + (R)-2-trans-abscisic acid - + - - - progestin + + + (R)-pantoic acid - + - - - - hydroxy fatty acid anion + + + + + + + + + D-pipecolate - + - - - oxo fatty acid anion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + nicotine - + - - - - 3-hydroxy fatty acid + + + (S)-2-trans-abscisic acid - + - - - thia fatty acid anion + + + (S)-mevalonate - + - - - L-alpha-amino acid zwitterion + + + (Z,Z,Z)-geranylgeraniol - + - - - D-alpha-amino acid zwitterion + + + + + + + + + + + + + + + 4-hydroxystyrene - + - - - heptaketide + + + + 1,2,3-tribromopropane - + - - - N-acyl-L-alpha-amino acid anion + + + cyclohexa-3,5-diene-1,2-diol - + - - - N-acyl-D-alpha-amino acid anion + + + (3R,6R)-1,3,4,6-tetrachlorocyclohexa-1,4-diene - + - - - - XDP(3-) + + + (1->3)-alpha-D-mannooligosaccharide - + - - - - XTP(3-) + + + + + + + + + + + + + + + + 1,3-dichloropropan-2-ol - + - - - gamma-aminobutyric acid zwitterion + + + + + + + + + 1,3-dichloropropene - + - - - - EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor + + + delta-lactone - + - - - thermosperminium(4+) + + + + + + + + + + + + + + + 4-methylbenzyl alcohol - + - - - 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-) + + + 1-aminopropan-2-yl phosphate - + - - + + + - + - dopaminium(1+) + 1-aminopropan-2-ol - + - - - 2-phosphonato-L-lactate(3-) + + + + + + + + + 1-methylguanosine - + - - - - F420-0(3-) + + + + 1-pyrroline - + - - + + + + 1-pyrrolinecarboxylic acid + + + + + + + + + 11alpha-hydroxy steroid + + + + + + + + - ecgoninium methyl ester(1+) + 12-HETE - + - - - methylmalonyl-CoA(5-) + + + + 17-oxo steroid - + - - - acyl monophosphate(2-) + + + + 1H-pyrrole - + - - - - 5,6,7,8-tetrahydrosarcinapterin(4-) + + + 4-oxocyclohexanecarboxylic acid - + - - - - D-glycero-D-manno-heptose 7-phosphate(2-) + + + + 2',3'-cyclic purine nucleotide - + - - - EC 1.14.18.1 (tyrosinase) inhibitor + + + + 2',3'-cyclic pyrimidine nucleotide - + - - - chemical substance + + + 2'-deoxyadenosine 5'-phosphate - + - - - mixture + + + 2'-deoxyadenosine phosphate - + - - - 2,3-dehydroacyl-CoA(4-) + + + + 2'-deoxyribonucleoside 3'-monophosphate - + - - - - - - - - - polymer + + + + purine 2'-deoxyribonucleoside - + - - - guanosine 3'-diphosphate 5'-triphosphate(6-) + + + + pyrimidine 2'-deoxyribonucleoside - + - - - - - - - - - homopolymer + + + 2'-deoxyribonucleoside monophosphate - + - - - flavonoid oxoanion + + + + + 2'-deoxyribonucleotide - + - - - L-proline zwitterion + + + 2'-deoxymugineic acid - + - - - - - - - - - - siroheme(8-) + + + + 2,2'-bithiophenes - + - - - - - - - - - - micafungin + + + 2,3,5-trichloro-cis,cis-muconate(2-) - + - - - - - - - - - - cocaine(1+) + + + 2,3-bisphosphoglycerate - + - - - dermatan anion + + + 2-hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoate - + - - - - - - - - - - - alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) + + + (2,4,5-trichlorophenoxy)acetate - + - - - - - N-acylneuraminate + + + + 2,4,6-trichloroanisole - + - - - vinca alkaloid cation + + + (2,4-dichlorophenoxy)acetate - + - - - lipid A oxoanion + + + 2,5-dichloro-cis,cis-muconate(2-) - + - - - 7-hydroxyflavon-3-olate + + + + + + + + + + 2,6-dibromophenol - + - - + + - - + + - poly(glycerol phosphate) + + + + + + + + + + + + + 4-(trimethylammonio)butanoic acid - + - - - sulfurated eukaryotic molybdenum cofactor(2-) + + + 3-(acetamidomethylene)-2-(hydroxymethyl)succinate(2-) - + - - + + + 2-acetamidofluorenes + + + + + + + + + + + - sphingosine 1-phosphate(1-) + 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid - + - - - oxidised LDL + + + + 2-aminohexano-6-lactam - + - - + + + 2-aminopentanoic acid + + + + + + + + + - - + + - ionic polymer + + + + + + + + + + + + + 4alpha-methylzymosterol - + - - - phosphatidylinositol trisphosphate + + + + + + + + + + + + + + + + + + + + + + + propachlor - + - - - - purine deoxyribonucleoside + + + 2-chloro-cis,cis-muconate(2-) - + - - - rhamnogalacturonan I + + + 2-cis,6-cis-farnesyl diphosphate - + - - - 5-hydroxylysine + + + 2-cis,6-trans-farnesyl diphosphate - + - - - EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor + + + 2-dehydro-L-idonic acid - + - - - alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Gal + + + 2-deoxy-D-glucoside - + - - - homogalacturonan + + + 2-deoxyribose 1-phosphate - + - - - rhamnogalacturonan II + + + 2-deoxyribose 5-phosphate - + - - - triacyl lipopeptide + + + 2-deoxyribose bisphosphate - + - - - queuosine + + + 2-deoxyribose phosphate - + - - - bacteriochlorophyll c + + + 2-enoyl-CoA - + - - - acyl monophosphate(1-) + + + 5'-dehydroadenosine - + - - - - W-molybdopterin cofactor + + + + 2-hexenal - + - - - - beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc + + + + 2-hydroxy-6-oxonona-2,4-dienedioate - + - - - - divalent metal cation + + + + + + + + + 2-hydroxyisobutyrate - + - - - monovalent inorganic cation + + + + + + + + + + 2-hydroxyoctadecanoic acid - + - - - inositol phosphoceramide + + + 4-oxohex-2-enedioic acid - + - - - - silver ion + + + 2-methylacetoacetate - + - - - nickel ion + + + + + + + + + N(2)-methylguanosine - + - - - - lead ion + + + + (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate - + - - - - selenium ion + + + 2-phosphoglycolate - + - - - guanidinium ion + + + + + + + + + quinaldate - + - - - - lead cation + + + + 3',5'-cyclic purine nucleotide - + - - - - silver cation + + + + 3',5'-cyclic pyrimidine nucleotide - + - - - puromycin(1+) + + + + + + + + + + + + + + + (6R)-5,10-methylenetetrahydrofolic acid - + - - - - N(omega)-methyl-L-arginine zwitterion + + + + + + + + + 3,4-dihydroxyphenylpyruvic acid - - - - - EC 3.4.* (hydrolases acting on peptide bond) inhibitor - - - - - + - - - - caesium ion + + + + 3-hydroxy-3-phenylpropionic acid - + - - - - tellurium ion + + + xylosylglycoside - + - - - - aluminium ion + + + 3-O-methylgallate - + - - - - L-thyroxine(1-) + + + 3-amino-3-(4-hydroxyphenyl)propanoate - + - - - - - 3,3',5-triiodo-L-thyroninate + + + + 3-chloroacrylic acid - + - - - thyroid hormone + + + (+)-camphene - + - - - - - - - - - - ganglioside GM2 + + + 3-enoyl-CoA - + - - - peptide anion + + + 3-epi-3-hydroxymugineic acid - + - - - organic phosphoramidate anion + + + 3-ethylcatechols - + - - - - - - - - - - - + + - + - cytidine 5'-monophosphate(2-) + 5,6-dihydroxyindole-2-carboxylic acid - + - - - peptide zwitterion + + + + + 3-hydroxy-L-proline - + - - - - - - - - + + + 3-hydroxy fatty acyl-CoA + + + + + + + + + + - dUDP(3-) + 3-hydroxybutyric acid - + - - - - N',N'',N'''-triacetylfusarinine C + + + 3-hydroxyhexanoate - + - - - - indole alkaloid cation + + + 3-hydroxypropionyl-CoA - + - - + + + 3-methylquinolin-2(1H)-one + + + + + + + + - + - phosphatidylglycerol(1-) + 3-methylquinoline - + - - - ergoline alkaloid + + + + 3-oxo-Delta(1) steroid - + - - - flavin(1-) + + + + + + + + + 5-acetamidopentanoic acid - + - - - ferroheme c + + + + lanostane - + - - + + + - - + + - calcium oxalate + 5-aminoimidazole-4-carboxamide - + - - - - - - - - - + + + cinnamyl alcohol beta-D-glucoside + + + + + + + + - + - + - bicozamycin + 1D-myo-inositol 1,4,5-trisphosphate(6-) - + - - - 3,6-diamino-10-methylacridinium + + + (4-deoxygluc-4-enosyluronic acid)-(1->3)-N-acetyl-D-galactosamine sulfate - + - - - opioid agent + + + + + 4-hydroxy-L-lysine - + - - - mu-opioid agent + + + + + + + + + 4-hydroxyproline - + - - - - opioid receptor agonist + + + imidazolone - + - - - NMDA receptor antagonist + + + 4-(methylamino)butyrate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - floxuridine + + + 4-sulfonatobenzoate(2-) - + - - - nucleoside analogue + + + + (5-oxo-2-sulfonato-2,5-dihydrofuran-2-yl)acetate - + - - - excitatory amino acid antagonist + + + 4-pyridones - + - - - anaesthesia adjuvant + + + + 5,10-methylenetetrahydrofolic acid - + - - - adjuvant + + + + + + + + + 5,6,7,8-tetrahydrofolic acid - + - - - lysobisphosphatidic acid + + + + 5,6-dioxidoindole-2-carboxylate - + - - - - diphenyl phthalate + + + 5-deoxyribose phosphate - + - - - - - - - - - - - epothilone + + + EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor - + - - - tubulin modulator + + + + 5-hydroxycamphor - + - - - - - - - - - - - naptalam + + + 5-methyltetrahydrofolate - + - - - leucoanthocyanidin + + + 5-phosphoribosyl-ATP - + - - - - - - - - - - - - - - - phytochelatin + + + 5alpha-campestane - + - - - - (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine + + + 5alpha-cholane - + - - - D-alpha-amino acid anion + + + 5alpha-ergostane - + - - - N-(4-aminobenzoyl)-L-glutamate + + + + 5alpha-pregnane - + - - - racemate + + + 5beta-androstane - + - - - ganglioside GT1b + + + 5beta-cholane - + - - - - keratan sulfate + + + 5beta-estrane - + - - - amino monosaccharide + + + + 5beta-pregnane - + - - - - - sinapate ester + + + + + + + + + + 6,7-dihydrobiopterin - + - - - glucuronoxylan + + + 2-aminopurines - + - - - - D-mannosyl-D-glyceric acid + + + 6-aminopurines - + - - - prenylcysteine + + + + + + 3-dehydro-6-deoxoteasterone - + - - - - - - - - - 5-HETE + + + + + + + 6-deoxotyphasterol - + - - - - - - - - - flavonoid phytoalexin + + + 6-phospho-2-dehydro-D-gluconate(3-) - + - - + + - + - diterpene phytoalexin + 5-hydroxykynurenine - + - - + + + - + - colanic acid + 7-methylguanosine - + - - - - aminophospholipid + + + (+)-8'-hydroxyabscisic acid - + - - - - suberin + + + phenanthrene-9,10-diol - + - - - - cyanoamino acid + + + + + + + + + 5-hydroxyxanthotoxin - + - - - phenylalkylamine + + + ADP-glycero-D-manno-heptose - + - - - ketogluconate + + + AMP-sugar - + - - - alpha-glucoside + + + ATP-sugar - + - - - beta-glucoside + + + + C-glycosyl compound - + - - - UDP-rhamnose(2-) + + + C19-gibberellin - + - - - - - methyl galactoside + + + C20-gibberellin - + - - - - - - - - - - - - - - - L-canavanine + + + CDP-sugar - + - - - - - - - - - alkylphosphonate + + + CMP-sugar - + - - - - mannosyl diphosphorylinositol ceramide + + + (R)-4'-phosphopantothenate(2-) - + - - - nephrotoxin + + + + D-alloisoleucine - + - - - angiotensin receptor antagonist + + + allose phosphate - + - - - 7-carboxylato-7-deazaguanine + + + D-arabinonic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - kanamycin + + + D-fructuronic acid - + - - - - ganglioside GM1 + + + D-galactosaminide - + - - - - - - - - - - - - - - - tacrolimus (anhydrous) + + + galactose phosphate - + - - - alkyl hydroperoxide + + + D-galactoside - + - - - lipid hydroperoxide + + + D-galactosyl-N-acetyl-D-glucosaminyl-(1->3)-D-galactosyl-(1->4)-D-glucosylceramide - + - - - - - - - - - - - - - - - tacrolimus hydrate + + + D-glucose bisphosphate - + - - - - oxygen radical + + + D-glucose monophosphate - + - - - - purine nucleoside bisphosphate + + + glucose phosphate - + - - - ribonucleoside bisphosphate + + + D-glucosyl-D-mannose - + - - - bis(5'-nucleosidyl) oliogophosphate + + + + aldohexose phosphate - + - - - lipid-linked peptidoglycan + + + D-idarate(2-) - + - - + + + D-idaric acid + + + + + + + + - + - 3-sulfino-L-alanine(1-) + mannonic acid - + - - - pyrimidine nucleotide-sugar + + + + + + + + + + + + 5-[(E)-caffeoyl]shikimic acid - + - - - - aminophosphonate + + + mannose phosphate - + - - - - - - N-(4-aminobenzoyl)-L-glutamic acid + + + + + + + + + D-ribonic acid - + - - - EC 3.5.1.98 (histone deacetylase) inhibitor + + + ribose diphosphate - + - - - dTDP-rhamnose + + + D-tagaturonic acid - + - - - - nucleobase-containing molecular entity + + + (3S)-3-isopropenyl-6-oxoheptanoate - + - - - oxylipin + + + D-altrarate(1-) - + - - - - 7-carboxy-7-deazaguanine + + + D-altraric acid - + - - - - - - - - - - poly-ADP-D-ribose + + + GDP-D-mannuronic acid - + - - - - poly(3-hydroxycarboxylic acid) macromolecule + + + + GDP-alpha-D-mannosylchitobiosyldiphosphodolichol - + - - - L-pipecolic acid zwitterion + + + GDP-hexose - + - - + + - + - + - phlobaphene + GDP-mannose - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ketamine + + + GDP-sugar - + - - - - N-acylphosphatidylethanolamine + + + L-2'-bromophenylalanine - + - - - spermidine hydroxycinnamic acid conjugate + + + L-2-aminohexanoate - + - - - pectic arabinan + + + L-3'-bromophenylalanine - + - - - (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate residue + + + L-4'-bromophenylalanine - + - - - hemicellulose + + + + L-alaninamide - + - - - scopolamine(1+) + + + arogenic acid - + - - - dolichol-linked oligosaccharide + + + + vitamin C - + - - - guanyl nucleotide + + + + + + + + + + + + + cysteic acid - + - - - adenyl nucleotide + + + (3S,5S)-3,5-diaminohexanoate - + - - - - guanyl ribonucleotide + + + + + + + + + erythro-4-hydroxy-L-glutamic acid - + - - - - adenyl ribonucleotide + + + L-erythrose - + - - - - adenyl deoxyribonucleotide + + + L-fuconate - + - - - D-glucose- and/or D-galactose-substituted mannan + + + glutamyl phosphate - + - - - - phosphoglycerate + + + L-idarate(2-) - + - - - - chromium ion + + + L-idaric acid - + - - - C21-steroid + + + + + + + + + L-idonic acid - + - - - XTP(4-) + + + idonic acid - + - - - - cyanidin 3-O-beta-D-glucoside betaine + + + + + + + + + + + L-methionine sulfone - + - - - C4-dicarboxylate + + + L-ornithine derivative - + - - - - + + + + + L-prolinamide + + + + + + + + + rhamnonic acid + + + + + + + + - + + L-altrarate(1-) + + + + + + + + - + + L-altraric acid + + + + + + + + + + + L-tyrosyl ester + + + + + + + + + - + - bacillithiol + Mo-molybdopterin cofactor - + - - - - - - + + + + N-acetoxyarylamine + + + + + + + + + N-acetyl-7-O-acetylneuraminic acid + + + + + + + + + - + - + - chrysobactin - - - - - - - - - + - achromobactin + + + + + + + 5beta-dihydrotestosterone - + - - - 3-hydroxy carboxylic acid + + + N-acetyl-9-O-acetylneuraminic acid - + - - - globoside + + + + N-acetyl-D-amino acid - + - - - ferric-vibriobactin + + + N-acetyl-D-galactosaminyl group - + - - - TDP + + + N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine - + - - - 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-) + + + N-acetyl-D-glucosamine 1-phosphate - + - - + + + N-acetyl-D-glucosaminyl groups + + + + + + + + + + + N-acetyl-L-amino acid + + + + + + + + + - + + + + + + + + + + + + + @@ -72992,107561 +76769,627781 @@ - dITP(4-) - - - - - - - - - - sulfolipid + + + + + + + N-acetyl-L-aspartic acid - + - - - fructosyllysine(1+) + + + N-acetyl-L-glutamate(1-) - + - - + + + + - + - ITP(4-) + N-acetyl-L-methionine - + - - - - - - - - - - - - - - - dATP(4-) + + + + N-acetyl-L-valine - + - - - dihydroxyphenylacetic acid + + + N-acetyl-O-acetylneuraminic acid - + - - - - ferrichromes + + + + + N-acetyl-amino acid - + - - - TDP(3-) + + + N-acetyl-D-hexosamine - + - - - dGTP(4-) + + + N-acetyl-D-muramic acid - + - - - - - - - - - tetrahydrofolyl-poly(glutamate) polymer + + + N-acetylneuraminates - + - - - - - - - - - - gamma-poly(glutamate) polymer + + + N-acetylneuraminic acids - + - - + + + - - + + - poly(amide) polymer - - - - - - - - - - + + - polyanionic polymer + N-acetylphenylalanine - + - - - dCTP(4-) + + + N-acyl-D-glucosamine 1-phosphate - + - - - - epoxy fatty acid + + + N-acyl-D-glucosamine phosphate - + - - - ADP-L-glycero-beta-D-manno-heptose(2-) + + + + N-acylglucosamine - + - - - - - - - - - - N-acetyl-L-2-aminoadipate(2-) + + + + 6-acetamido-3-aminohexanoic acid - + - - - ADP-L-glycero-beta-D-manno-heptose + + + N-acyl-L-amino acid - + - - - dUTP(4-) + + + + + N-acyl-L-arginine - + - - - nucleoside triphosphate(4-) + + + + + N-acyl-L-aspartic acid - + - - - 2'-deoxyribonucleoside 5'-triphosphate(4-) + + + + 6-acetamido-3-oxohexanoic acid - + - - - - steroid saponin + + + + + N-acyl-L-glutamic acid - + - - - - organic sulfamate oxoanion + + + N-acyl-O-acetylneuraminic acid - + - - - 2'-deoxyribonucleoside triphosphate oxoanion + + + + N-acyl-aspartic acid - + - - - amino cyclitol + + + + N-acylgalactosamine - + - - - fatty acid derivative + + + N-acyl-hexosamine - + - - - nonclassic icosanoid + + + N-acylglutamic acid - + - - - - - - oxoicosatetraenoic acid + + + N-acylneuraminic acid phosphate - + - - - ferroheme c(2-) + + + N-acylneuraminates - + - - - - terpene glycoside + + + N-alanyl-glycosylphosphatidylinositolethanolamine - + - - - L-arabinofuranose + + + N-amidino-amino acid - + - - - short-chain fatty acyl-CoA + + + N-asparaginyl-glycosylphosphatidylinositolethanolamine - + - - - medium-chain fatty acyl-CoA + + + N-aspartyl-glycosylphosphatidylinositolethanolamine - + - - - EC 1.14.13.39 (nitric oxide synthase) inhibitor + + + + N-benzoyl-D-arginines - + - - - very long-chain fatty acyl-CoA + + + N-carbamoyl-L-amino acid - + - - - branched-chain fatty acyl-CoA + + + + N-carbamoyl-amino acid - + - - - glycerophosphoglycerol(1-) + + + N-cysteinyl-glycosylphosphatidylinositolethanolamine - + - - - aroyl-CoA + + + + + N-glycosyl compound - + - - - microtubule-stabilising agent + + + N-glycyl-glycosylphosphatidylinositolethanolamine - + - - - - microtubule-destabilising agent + + + + N-(long-chain-fatty-acyl)-L-glutamic acid - + - - - metabotropic glutamate receptor agonist + + + + N-methyl-L-alpha-amino acid - + - - - (S)-azetidine-2-carboxylic acid + + + N-methyl-amino acid - + - - - - maltotetraose tetrasaccharide + + + N-methylethanolamine - + - - - - maltotriose trisaccharide + + + N-methylglycines - + - - - maltotriose + + + N-seryl-glycosylphosphatidylinositolethanolamine - + - - - - maltopentaose pentasaccharide + + + + D-fucopyranose - + - - - maltopentaose + + + N-sulfoglucosamine - + - - - - maltohexaose hexasaccharide + + + N(2')-acetylgentamycin - + - - - - maltoheptaose heptasaccharide + + + N(2),N(5)-diacyl-L-ornithine - + - - - maltoheptaose + + + + + + + + + + + + + + + + L-fucopyranose - + - - - - - polar amino acid zwitterion + + + N2-acyl-L-ornithine - + - - - acyl donor + + + N(2)-glutamino group - + - - - - - butane-2,3-diol + + + N(3')-acetylgentamycin - + - - - chondroitin 6'-sulfate anion + + + + + N(4)-glycosyl-L-asparagine - + - - - phaseic acid anion + + + N(5)-alkyl-L-glutamine - + - - - nalidixic acid anion + + + + hypusine - + - - - - 2-cis-abscisate + + + + + L-pyrrolysine - + - - - naptalamate + + + N(6)-dimethylallyladenosine 5'-monophosphate - + - - - 3-chloroacrylate + + + N(alpha)-methyl-L-histidines - + - - - + + + - + - 1,1-diunsubstituted alkanesulfonate - - - - - - - - - N-acetylmannosamine + O-butanoyl-L-carnitine - + - - - polysaccharide acid oxoanion + + + + O-glycosyl-L-serine - + - - - allelochemical + + + + O-glycosyl-L-threonine - + - - - S-sulfo-L-cysteinate(1-) + + + + + O-phosphoamino acid - + - - - cardiolipin(2-) + + + + O-phosphorylhomoserine - + - - - - - - - - - - - - - - - - beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc + + + o-succinylhomoserine - + - - - D-lyxose + + + + + O-(N-acetylglucosamine-1-phosphoryl)-L-serine - + - - - L-lyxose + + + + O(4')-glycosyl-L-tyrosine - + - - - - - abscisic acids + + + O(4)-glycosyl-L-hydroxyproline - + - - - abscisates + + + S-(ADP-ribosyl)-L-cysteine - + - - - - (+)-abscisic acid D-glucopyranosyl ester + + + + S-farnesyl-L-cysteine - + - - - - - - - - - - (17Z)-protosta-17(20),24-dien-3beta-ol + + + S-geranylgeranyl-L-cysteine - + - - - - - helvolic acid + + + sulfoxide - + - - - helvolate + + + S-palmitoyl amino acid - + - - - signalling molecule + + + + + S-palmitoyl-L-cysteine - + - - + + - + - sphingomyelin d18:1(1+) + + + + + + + purine-6-thiol - + - - - methyl-branched fatty acid + + + TDP-sugar - + - - - - - - - - - - folate(2-) + + + UDP-D-galactosamine - + - - - tricarballylate + + + UDP-D-glucosamine - + - - - oligogalacturonide + + + UDP-N-acetylmannosaminouronic acid - + - - - N-acylphosphatidylethanolamine(1-) + + + (R)-nipecotic acid - + - - - acyl alpha,alpha-trehalose + + + + abscisic aldehyde - + - - - polyacyl alpha,alpha-trehalose + + + (+)-abscisic acid beta-D-glucopyranosyl ester - + - - - cellooligosaccharide + + + + + + + + + 2-cis-abscisic acid - + - - - hydroxyacyl-CoA + + + acaricide - + - - - anionic phospholipid + + + acenaphthene - + - - - hydroxy-alkenylglucosinolate + + + acenaphthenes - + - - - - aromatic ester + + + acetamides - + - - - - aromatic amide + + + acetohydroxamic acids - + - - - - - - - - - - - - - - - - - alpha-bergamotene + + + acetohydroximates - + - - - (-)-exo-alpha-bergamotene + + + + EC 2.2.1.6 (acetolactate synthase) inhibitor - + - - - - tyrosine derivative + + + + acetophenones - + - - - reactive nitrogen species + + + + + + + + + acetyl phosphate(2-) - + - - - (1->4)-beta-D-galactan + + + + acetyl-L-lysine - + - - - maltotriulose + + + + acetyl-L-serine - + - - - nigerotriose + + + acetyl-amino acid - + - - - alpha-L-Araf-(1->5)-alpha-L-Araf-(1->5)-L-Araf + + + + acetylcysteine - + - - - beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-D-Xylp + + + + 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside - + - - - beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-D-Manp + + + acetylgentamycin - + - - - fuel additive + + + acetylkanamycin - + - - - - - - - - - - - - - - - - - - - - - - isooctane + + + acetylspermidine - + - - - 1-oleoyl-sn-glycerol 3-phosphate + + + acetylspermine - + - - - hepatoprotective agent + + + aconitate(3-) - + - - - EC 1.2.3.1 (aldehyde oxidase) inhibitor + + + aconitic acid - + - - - EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor + + + acridines - - - - - - icosatetraenoate - - - - - + - - - (S,S,S)-nicotianamine monoanion + + + acrylamides - + - - - mycophenolate + + + (S)-nipecotic acid - + - - - oxylipin anion + + + acyl group - + - - - discadenine(1-) + + + acylglutathione - + - - - - homomethioninate + + + + + + + + + acylglycerone phosphate - + - - - icosanoid anion + + + + adamantanones - + - - - - hepoxilin anion + + + + + adenosine bisphosphate - + - - - - glycosylceramide + + + + adenosine phosphate - + - - - leukotriene anion + + + adenosines - + - - - - prostanoid anion + + + adipate semialdehyde - + - - - - sialic acid anion + + + + + + + + + aflatoxin - + - - - thromboxane anion + + + alanine derivative - + - - - cellotetraose + + + + aldaric acid anion - + - - - cellopentaose + + + + + + + + + 6-phospho-2-dehydro-D-gluconic acid - + - - - 4-hydroxyprolinate + + + + aldaric acid - + - - - 5-hydroxylysinate + + + alditol 1-phosphate - + - - - homoserinate + + + alditol 4-phosphate - + - - - - - - - - - - 4-hydroxy-L-prolinate + + + alditol 5-phosphate - + - - - emulsifier + + + + alditol phosphate - + - - - - food emulsifier + + + + aldonate - + - - - - 1,3-thiazolium cation + + + aldonic acid phosphate - + - - - - zinc cation + + + + aldonic acid - + - - - UDP-rhamnose + + + aldonolactone - + - - - - aluminium cation + + + aldoxime - + - - - cadmium cation + + + + + alkaline earth metal atom - + - - - - zeaxanthin bis(beta-D-glucoside) + + + + + alkali metal atom - + - - - octacarboxylic acid anion + + + + + + + + + alkaloid - + - - + + - + - beta-alaninate + alkanesulfinate - + - - - - L-homocysteinate + + + alkyl group - + - - - sphingosine-1-phosphate receptor agonist + + + + alkyl phosphate - + - - - 4-hydroxyproline zwitterion + + + + S-alkylsulfenic acid - + - - - EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor + + + aliphatic sulfide - + - - - glycosyl compound + + + alkyl-sn-glycerol 3-phosphate - + - - - - - - - - - L-cystine anion + + + alkylamines - + - - - ribonucleoside monophosphate oxoanion + + + alkylamino group - + - - - - leukotriene D4(1-) + + + alkylating agent - + - - - - - pyranopterin + + + + alkylglycerone phosphate - + - - - mononitrotoluene + + + alkyne - + - - - T-cell proliferation inhibitor + + + + all-cis-7,10,13-hexadecatrienoic acid - + - - - - 11-oxo-beta-amyrin + + + alloisoleucine - + - - - - beta-caryophyllene + + + alpha-D-glucan - + - - - reducing agent + + + + alpha-D-glucoside - + - - - oxidising agent + + + + 3-sulfinato-L-alaninate(2-) - + - - - carbohydrate derivative + + + alpha-L-fucosyl-(1->2)-D-galactose - + - - - osmoregulated periplasmic glucan + + + tert-butylammonium - + - - - EC 3.1.3.1 (alkaline phosphatase) inhibitor + + + + + alpha-N-substituted L-arginine - + - - - deoxy sugar derivative + + + alpha-aspartyl group - + - - - deoxyhexose derivative + + + (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one - + - - - dideoxyhexose derivative + + + alpha-glutamyl group - + - - - disaccharide derivative + + + alpha-hydroxynitrile - + - - - monosaccharide derivative + + + + + + + + + alpha-terpineol - + - - - anhydro sugar derivative + + + + 7,8-diaminononanoic acid - + - - - anhydrohexose derivative + + + + + + + + + + + + + + + alpha-tocopherol - + - - - hexose derivative + + + + amino acid amide - + - - - ketoaldonic acid derivative + + + + amino alcohol - + - - - ketose derivative + + + + amino cyclitol glycoside - + - - - - ketopentose derivative + + + + amino disaccharide - + - - - - ketotriose derivative + + + amino oligosaccharide - + - - - pentose derivative + + + galactosamine oligosaccharide - + - - - all-trans-retinyl ester + + + glucosamine oligosaccharide - + - - - triose derivative + + + alpha-aminoacyl group - + - - - glycodiaosylceramide + + + aminoadipate semialdehyde - + - - - alditol derivative + + + amino aldehyde - + - - - pentitol derivative + + + + aminobenzenesulfonate - + - - - carbohydrate acid derivative + + + aminobenzoate - + - - - - 3-hydroxy-3-phenylpropionate + + + + aminobenzoic acid - + - - - sulfur-containing amino-acid anion + + + + aminobiphenyl - + - - - branched-chain amino-acid anion + + + aminobutanal - + - - - aromatic amino-acid anion + + + aminobutanoyl-CoA - + - - - arsonoacetic acid anion + + + + aminodiol - + - - - ectoinate + + + + aminoglycan - + - - - - - 4-carboxylato-4'-sulfonatoazobenzene + + + + aminoglycoside antibiotic - + - - - iodothyroninate + + + 7,8-dihydromethanopterin - + - - - explosive + + + aminoimidazole - + - - - fructosyllysinate + + + + + + + + + + + + + + + 2-phenylethanaminium - + - - - 5-hydroxyectoinate + + + benzylaminium - + - - - D-mannosyl-D-glycerate + + + aminopurine - + - - - - platinum cation + + + + amino sugar phosphate - + - - - TTP(4-) + + + aminouracil - + - - + + + + - dTMP(2-) + androstane-3,17-dione - + - - - guanyl deoxyribonucleotide oxoanion + + + 7beta-aminocephalosporanic acid - + - - - monoamine + + + anhydrohexose - + - - - TTP + + + anhydro sugar - + - - - carbohydrate acid derivative anion + + + + anilines - + - - - ketoaldonate derivative + + + anion - + - - - oligosaccharide derivative + + + + + ansamycin - + - - - tetrasaccharide derivative + + + anthocyanidin glucoside - + - - - trisaccharide derivative + + + + anthraquinone - + - - - - guanyl deoxyribonucleotide + + + antifeedant - + - - - - - - - - - - - - - - - - + + + + + - + - + - ribavirin + antimycin A - + - - - - 1-glycosyltriazole + + + antioxidant - + - - - 1-ribosyltriazole + + + antiviral agent - + - - + + + arabinan + + + + + + + + + arabinitol phosphate + + + + + + + + + arabinonate + + + + + + + + + arabinonolactone + + + + + + + + - + + arabinose + + + + + + + + + + + + + - + - telbivudine + 7-deoxyloganic acid - + - - + + + arabinose phosphate + + + + + + + + + arabinoside + + + + + + + + + arabinoxylans + + + + + + + + - + - bicyclogermacrene + + + + + + + arabinitol - + - - - neuroprotective agent + + + arginine derivative - + - - - 1,1-diol + + + arsenate ion - + - - - ketone hydrate + + + + + + + + + arsenic molecular entity - + - - - diadenosyl hexaphosphate + + + + arsenite ion - + - - - diadenosyl pentaphosphate + + + organoarsonic acid - + - - - diadenosyl tetraphosphate + + + arylalkylamine - + - - - diadenosyl triphosphate + + + + arenecarboxamide - + - - - glyco-amino-acid anion + + + arylmercury compound - + - - - retinoid X receptor agonist + + + + + + + + + ascorbate - + - - - adenosine 5'-pentaphosphate(6-) + + + ascorbic acid - + - - + + + - + - + - + - Aroclor 1254 + asparagine - + - - - - macrocyclic lactone + + + asparagine derivative - + - - - - - + + + asparaginyl group + + + + + + + + + + aspartate family amino acid + + + + + + + + + - - + + - + - ionomycin + aspartic acid - + - - - Hsp90 inhibitor + + + aspartic acid derivative - + - - - hydroperoxy fatty acid + + + + + + + + + aspulvinone - + - - - hydroperoxy fatty acid anion + + + auxin - - - - - protein kinase C agonist - - - - - + - - - - food additive + + + + azobenzenes - + - - - food acidity regulator + + + barbiturate anion - + - - - - - - - - + + - + - tert-butyl hydroperoxide + barbiturates - + - - - protein kinase agonist + + + base - + - - - - - M-factor + + + benzaldehydes - + - - - - - P-factor + + + (-)-cis-carveol - + - - - phytosphingosine(1+) + + + benzamides - + - - - pyrazinoindole + + + + + benzenetetrol - + - - - EC 2.5.1.58 (protein farnesyltransferase) inhibitor + + + + benzenetriol - + - - - - cysteine protease inhibitor + + + benzenes - + - - - - - - - - - - - - - - - asperthecin + + + arenesulfonate oxoanion - + - - - - - - - - - monosodium glutamate + + + + benzimidazoles - + - - + + + benzoates + + + + + + + + + - + - tunicamycin A0 + benzodiazepine - + - - - EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor + + + + benzoic acids - + - - - - - - - - - - - - - - - monosodium L-glutamate + + + benzophenones - + - - - - - - - - - monosodium D-glutamate + + + + benzopyran - + - - - - - - - - - tunicamycin A1 + + + + + benzopyrrole - + - - - - - - - - - tunicamycin A2 + + + benzoquinones - + - - - - - - - - - tunicamycin B1 + + + benzosemiquinones - + - - - - - - - - - tunicamycin B2 + + + 3-oxo-3-phenylpropionate - + - - - - - - - - - tunicamycin B3 + + + benzoyl-CoAs - + - - - - - - - - - tunicamycin C1 + + + benzyl alcohols - + - - - - - - - - - tunicamycin C2 + + + + benzyl group - + - - - - - - - - - tunicamycin D1 + + + 2-benzylsuccinyl-CoA - + - - - - - - - - - tunicamycin D2 + + + + benzyl 2-methyl-3-hydroxybutanoate - + - - - copal-8-ol diphosphate(3-) + + + benzylisoquinoline alkaloid - + - - - - erythromycin cation + + + + berberine alkaloid - + - - - - copal-8-ol diphosphate + + + beta-D-galactosyl groups - + - - - cyanamide(2-) + + + beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucosylceramide - + - - - MALDI matrix material + + + + beta-D-glucoside - + - - - aralkylamino compound + + + (4R,7R)-4-isopropenyl-7-methyloxepan-2-one - + - - - 3-hydroxyproline + + + + beta-D-glucosyl-N-acylsphingosine - + - - - - - - - - - - - - emericellamide + + + beta-alanine derivative - + - - - emericellamide A + + + beta-cyclopiazonic acid - + - - - - - - - - - - - - - - - - - - - - - asperfuranone + + + + amino-acid betaine - + - - - - - - - - - - - - monodictyphenone + + + bilanes - + - - - - + + + bilins + + + + + + + + + (glucosyluronic acid)bilirubin + + + + + + + + + + - + - + - F-9775A + 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one - + - - - - EC 3.4.22.38 (cathepsin K) inhibitor + + + biopterins - + - - - - - - - - - - + + + + + biphenyls + + + + + + + + + + bis(molybdopterin guanine dinucleotide)molybdenum + + + + + + + + + + - + - F-9775B + bisdechlorogeodin - + - - - - + + + - + - + - gerfelin + 7alpha-hydroxy-5beta-cholestan-3-one - + - - - EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor + + + bisphenol - + - - - - - - - - - - diorcinol + + + bisphosphoglyceric acid - + - - - + + - + + blasticidin + + + + + + + + + - + - violaceol I + bleomycin - + - - - EC 1.3.1.43 (arogenate dehydrogenase) inhibitor + + + borate - + - - - - - - - - - - - violaceol II + + + + borate ion - + - - - austinol + + + bornane monoterpenoid - + - - + + - - + + - meroterpenoid + boron molecular entity - + - - - dehydroaustinol + + + phytogenic insecticide - + - - - - - - chanoclavine-I aldehyde + + + branched-chain amino acid - + - - - - - - - - - arugosin + + + brassinosteroid - + - - - arsonate(1-) + + + + bromohydrocarbon - + - - - - + + - + - endocrocin + bromine atom - + - - + + - - + + - (+)-kotanin + bromine molecular entity - + - - - biaryl + + + + bromoalkane - + - - - - bicoumarin + + + + bromoamino acid - + - - - 8,8'-bicoumarins + + + + bromophenylalanine - + - - - - - - - - - demethylkotanin + + + butanals - + - - - - - - - - - orlandin + + + butanediols - + - - - p-hydroxyphenyl lignin + + + + butan-4-olide - + - - - - - - - - - guaiacyl lignin + + + butanone - + - - - - - - - - - syringal lignin + + + butanoyl-CoAs - + - - - monolignol + + + butenedioic acid - + - - - - phosphatidylcholine + + + + + butenoic acid - + - - - - - - - - - ferricrocin + + + + butenoyl-CoA - + - - - sarcinapterin + + + butanamides - + - - - tatiopterin + + + + butyn-1-ols - + - - - - - - - - - - - - cspyrone B1 + + + + butynal - + - - - - - - - - - - - shamixanthone + + + + butynediol - + - - + + + cadinane sesquiterpenoid + + + + + + + + + - + + cadinene + + + + + + + + - + - 1-heptadecene + calcium atom - + - - + + - - + + + calcium molecular entity + + + + + + + + + calcium ionophore + + + + + + + + + - + - nonadec-1-ene + camalexin - + - - - (Z)-nonadeca-1,14-diene + + + + + + canadine - + - - - 18-methylnonadec-1-ene + + + caprolactams - + - - - 17-methylnonadec-1-ene + + + carbamate ester - + - - - oxapenam + + + carbamoyl group - + - - - - + + - + - emericellin + carbohydrate-containing antibiotic - + - - - - sarcinapterin(4-) + + + + carbon disulfide - + - - - pyranoxanthene + + + + carbon oxide - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - cordyol C + + + carbonates - + - - - - - - - - - - averantin + + + EC 4.2.1.1 (carbonic anhydrase) inhibitor - + - - - - - - - - - - - brevianamide F + + + carbonyl group - + - - - - - - - - - - fumitremorgin B + + + carboxy-2-hydroxymuconate semialdehyde - + - - - - dihydroxytoluene + + + + carotenal - + - - - - - - - - - - terrequinone A + + + carotene - + - - - - - - - - - - - pseurotin A + + + + epoxycarotenoid - + - - - - naphtho-gamma-pyrone + + + carotenoid - + - - - - - - + + + carotenol + + + + + + + + - + - + - fonsecin - - - - - - - - - - - fumiquinazoline + carveol - + - - - - - fumiquinazoline A + + + carvones - + - - - imidazoindole + + + catechin - + - - - pyrazinoquinazoline + + + cephalosporanic acid - + - - - - - fumiquinazoline F + + + + + + + + + cephalosporin - + - - - - - - - fumiquinazoline C + + + glycopentaosylceramide - + - - - - tatiopterin(5-) + + + glycotetraosylceramide - + - - - tryptophan zwitterion + + + + cerebroside - + - + - - + - + - trans-p-coumaryl alcohol + cetraxates - + - - + + + + + chalcones + + + + + + + + - + - trans-sinapyl alcohol + chelate-forming peptide - + - - - methionine zwitterion + + + chiro-inositol - + - - - lignin + + + N,N'-diacetylchitobioses - + - - - EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor + + + + + chitobiosyldiphosphodolichol - + - - - NMDA receptor agonist + + + Octadec-9-enoic acid anion - + - - - flour treatment agent + + + + + + + + + + Oplophorus luciferin - + - - - - - - sphingomyelin + + + + + + + + + + chloride salt - + - - - uremic toxin + + + + chlorohydrocarbon - + - - - glycine transporter 1 inhibitor + + + + + + + + + chlorine atom - + - - - glycine receptor agonist + + + + + + + + + chlorine molecular entity - + - - - - - - - - - - - - - - - - - - 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one + + + chloroacetate - + - - - 4-amino-3-isothiazolidinone + + + + + chloroalanine - + - - - - C21-steroid hormone + + + + chloroalkane - + - - - dermatan sulfate proteoglycan + + + + chloroamino acid - + - - - diadenosyl polyphosphate + + + + chloroaniline - + - - - diphosphoinositol polyphosphate + + + + chlorobenzenes - + - - - Fe3S4 iron-sulfur cluster + + + chlorobenzoate - + - - - Fe4S4 iron-sulfur cluster + + + + chlorobenzoic acid - + - - - GDP-fucose + + + + chlorobenzophenone - + - - - dinitrosyl-iron complex + + + + + chlorobenzoyl-CoA - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - tenocyclidine + + + + chlorocatechol - + - - - - ether lipid + + + + chlorodienelactone - + - - - apiogalacturonan + + + + chloroethanol - + - - - - - phosphagen + + + + + chloroethenes - + - - - - purine ribonucleoside bisphosphate + + + + chlorohydroquinones - + - - - quercetin O-glucoside + + + + + chloromethanes - + - - - reuteran + + + + chlorophenol - + - + + + chlorophenoxyacetate anion + + + + + + + + - saturated monocarboxylic acid + + chlorophenoxyacetic acid - + - - - - - - - - - microcin B17 + + + chlorophenylethane - + - - - teichuronic acid + + + chlorophenylethylene - + - - - microcin + + + chlorophenylmethane - + - - - - somatostatin + + + chloropropene - + - - - - - 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine + + + cholest-7-ene - + - - - - - - - - - indoleacetic acid conjugate + + + glycerol 1-phosphate(2-) - + - - - - indoleacetic acid amide conjugate + + + cholestanoyl-CoA - + - - - - indoleacetic acid ester conjugate + + + (+)-cis-carveol - + - - - kaempferol O-glucoside + + + choline ester - + - - - O-polysaccharide + + + + + choline sulfates - + - - - hypusine residue + + + cholines - + - - - divalent inorganic cation + + + choloyl-CoAs - + - - - amyloid-beta + + + bile acid taurine conjugate - + - - - - - - - - - - - - - - - - - - - - - - - enniatin + + + + chromanol - + - - - - geranylgeranyl-chlorophyll a + + + chromanes - + - - - EC 1.8.1.9 (thioredoxin reductase) inhibitor + + + chromenes - + - - - - - - - - - - - + + - - + + - differentiation-inducing factor + chromium molecular entity - + - - - - - - - - - - fumigaclavine C + + + chromones - + - - - - CDP-N,N-dimethylethanolamine + + + chromopeptide - + - - - daunorubicin(1+) + + + chromophore - + - - - - anthracycline cation + + + + + + + + + + cineole - + - - - 7-formamidino-7-deazaguanine(1+) + + + cinnamaldehydes - + - - - - 7-formamidino-7-deazaguanine + + + cinnamamides - + - - - 3,4-dihydroxy-5-polyprenylbenzoate + + + + cinnamate - + - - - - nucleotide-sulfate + + + + cinnamic acids - + - - - - - - - - - - aspyridone A + + + cis-3,4-dihydrophenanthrene-3,4-diol - + - - - - - - - - - - aspyridone B + + + (4S,7R)-4-isopropenyl-7-methyloxepan-2-one - + - - - one-carbon compound + + + citrullines - + - - - organic acid + + + cob(III)alamins - + - - - purine nucleotide-sugar + + + cobalamins - + - - - trivalent inorganic cation + + + cobalt cation - + - - - - - - - - - - - - - - - - - - - lincomycin + + + cobamides - + - - - - phytochelatin 2 + + + cobyric acid - + - - - - phytochelatin 3 + + + + + coclaurine - + - - - - phytochelatin 4 + + + coenzyme - + - - - EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor + + + S-substituted coenzyme M - + - - - cationic group + + + cofactor - + - - - anionic group + + + colitose - + - - - organic cationic group + + + compatible osmolytes - + - - - organic anionic group + + + molecular entity - + - - - sesquarterpene + + + + + copalyl diphosphate - + - - - doxorubicin(1+) + + + + + + + + + copper molecular entity - + - - - N-acetyl-beta-muramate(1-) + + + + copper cation - + - - - cosmetic + + + coproporphyrin - + - - - bacillithiol(1-) + + + cobalt-corrinoid heptacarboxylic acid - + - - - poison + + + cobalt-corrinoid hexaamide - + - - - antimitotic + + + corrins - + - - - antimycobacterial drug + + + cortisol ester - + - - - - antiplasmodial drug + + + coumarate - + - - - inositol phosphoceramide(1-) + + + coumaric acid - + - + + + + coumarins + + + + + + + + + cumate + + + + + + + - 3,4-dihydroxy-5-polyprenylbenzoic acid + cumic acid - + - - - serine protease inhibitor + + + + + cutins - + - - - anti-HIV agent + + + pseudohalogen oxoacid - + - - - pyrrolizidine alkaloid + + + cyanides - + - - - - - - - - - + + + - + - lipoprotein + cyanogenic glycoside - + - - - - pyrrolizidine + + + cyanohydrin - + - - - anti-HSV agent + + + cyclic amide - + - - - anti-HSV-1 agent + + + + cyclic hydroxamic acid - + - - - glucobrassicin(1-) + + + + cyclic monoterpene ketone - + - - - - EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor + + + cyclic nucleotide - + - - - - - - - - - lipoxin + + + cyclic oligosaccharide - + - - - - - bicyclic nitroimidazole - - + + + cyclic peptide + + - + - - - - - - - - - - (-)-microperfuranone + + + + + cyclitol phosphate - + - - - - - - - - - - cichorine + + + cyclitol - + - - - - - - - - - - - - - - - - - lipoxin A4 + + + + cycloalkane - + - - - - - - - - - - - lipoxin B4 + + + + cyclodextrin - + - - - - EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor + + + cyclodiene organochlorine insecticide - + - - - mannosylinositol phosphorylceramide(1-) + + + cyclohexadienecarboxylate - + - - - EC 3.1.1.3 (triacylglycerol lipase) inhibitor + + + + cyclohexadienecarboxylic acid - + - - - - - - - - - - - - - - - - - - - - - (-)-secoisolariciresinol + + + cyclohexadienediol - + - - - anti-asthmatic agent + + + + cyclohexadienol - + - - - - ribostamycin(4+) + + + cyclohexanedione - + - - - miltiradiene + + + cyclohexanols - + - - - EC 4.1.1.19 (arginine decarboxylase) inhibitor + + + cyclohexanones - + - - - EC 3.1.3.11 (fructose-bisphosphatase) inhibitor + + + cyclohexenecarboxylic acid - + - - - adenosine A1 receptor agonist + + + cyclopentanes - + - - - EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor + + + + cyclopentanols - + - - - EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor + + + + cyclopropanecarboxylic acid - + - - - - 2-deoxystreptamine(2+) + + + + + + 4-amino-1,2-oxazolidin-3-one - + - - - - neamine(4+) + + + cystathionines - + - - - - neomycin C(6+) + + + cysteine derivative - + - - - - - - - - - butirosin + + + cysteinyl group - + - - - CDP-N,N-dimethylethanolamine(1-) + + + cytidine 3'-phosphate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ximelagatran + + + cytidine 5'-phosphate - + - - - - - - - - - + + + cytidine phosphate + + + + + + + + + cytidines + + + + + + + + + + + - + - + - + - iloperidone - - - - - - - - - GDP(2-) + cytochalasin B - + - - - first generation antipsychotic + + + cytochalasin - + - - - second generation antipsychotic + + + cytokinin - + - - - vascular endothelial growth factor receptor antagonist + + + dTDP-sugar - + - - - - polysaccharide derivative + + + defoliant - + - - - - 3-hydroxyphenyl propanoate + + + dehydroamino acid - + - - - EC 3.4.21.5 (thrombin) inhibitor + + + + deoxyadenosine phosphate - + - - - amidoxime + + + + + + + + + + deoxycholate - + - - - food preservative + + + + deoxycortisol - + - - - - antimicrobial food preservative + + + deoxycytidine phosphate - + - - - L-pyrrolysinium + + + deoxygalactose - + - - - - GABA antagonist + + + deoxyglucose - + - - - - primary ammonium ion + + + deoxyguanosine phosphate - + - - - - - - - - - - - corticotropin-releasing hormone + + + + deoxyaldohexose phosphate - + - - - 2'-deoxynucleoside 5'-monophosphate(2-) + + + + deoxyhexose - + - - - - - cyanophycin macromolecule + + + deoxyinosine phosphate - + - - - terpenoid indole alkaloid + + + deoxyaldopentose phosphate - + - - - hemiterpenoid indole alkaloid + + + deoxypentose - + - - - monoterpenoid indole alkaloid + + + deoxyribonucleoside - + - - - D-xylose + + + + deoxyribulose phosphate - + - - - L-xylose + + + deoxy sugar - + - - - - - alkyl caffeate ester + + + deoxyuridine phosphate - + - - - 3-deoxy-D-manno-octulosonate + + + depsipeptide - + - - - 5-formyltetrahydrofolate(2-) + + + + + + + + + + + + + + + (+)-abscisic acid - + - - - 5-HETE(1-) + + + dextrins - + - - - - - - 5-oxo-ETE(1-) + + + diamine - + - - + + - + - achromobactin free acid + 2,6-diaminopimelate(2-) - + - - - - - - - - - - + + - + - funalenone + 2,6-diaminopimelic acid - + - - - - - - - - - + + + diazole + + + + + + + + + - + - malic acid + dibenzothiophene - + - - - C4-dicarboxylic acid + + + + + + + + + dibenzothiophene 5-oxide - + - - - carnosinate + + + + dibenzothiophenes - + - - - N-alkylglycine zwitterion + + + dicarboxylic acid amide - + - - - alanine zwitterion + + + + dichloroaniline - + - - - citrullinate + + + dichlorobenzene - + - - - creatinate + + + + dichlorobenzoyl-CoA - + - - - - N-alkylglycine + + + + dichlorocatechol - + - - - cyanoamino acid anion + + + + dichlorohydroquinone - + - - - keto-D-gluconic acid + + + + dichlorophenol - + - - - fructosylglycinate + + + dideoxyhexose - + - - - - ecgononium methyl ester(1+) + + + + diethyl 2-methyl-3-hydroxysuccinate - + - - - olivetolate + + + + 5-oxo-2-furylacetic acid - + - - + + - + - homocysteinate + dihydrocarvone - + - - - - - - - - - - - - olivetolic acid + + + + + + + + + 4,5-dihydrocortisone - + - - - antidyskinesia agent + + + dihydrophenanthrenediol - + - - + + + + dihydrodipicolinic acid + + + + + + + + + dihydrofolic acids + + + + + + + + + + S-substituted dihydrolipoamide + + + + + + + + - + - olivetol + + + + + + + + + + + + + acarbose - + - - - nootropic agent + + + + pyrroline - + - - - radiation protective agent + + + quinolone - + - - - tocolytic agent + + + + dihydroxy-5beta-cholanic acid - + - - - histidinate derivative + + + dihydroxyacetophenone - + - - - hypusinate + + + dihydroxybenzoic acid - + - - - kynureninate + + + dihydroxyindole - + - - - - - - - - - S-adenosyl-L-homocysteinate + + + naphthalenediols - + - - - - - - - - - - L-kynureninate + + + + dihydroxypteridine - + - - - folates + + + dihydroxypyridine - + - - + + + - + - L-dopa(1-) - - - - - - - - - methyl-branched fatty acid anion + ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate - + - - - dihydrofolates + + + + diiodotyrosine - + - - - N(omega)-methyl-L-argininate + + + dimethoxyflavone - + - - - tetrahydrofolate + + + dimethylaniline - + - - - lipoxin anion + + + dimethylbenzimidazole - + - - - - lipoxin A4(1-) + + + dimethylmaleic acid - + - - - - lipoxin B4(1-) + + + dimethylsilanediol - + - - - O-(N-acetylglucosamine-1-phosphonatooxy)-L-serine(1-) + + + dimethylxanthine - + - - - D-octopine(1-) + + + dinitrotoluene - + - - - prenylcysteinate + + + diol - + - - + + + - + - S-adenosyl-L-methioninate + dibenzodioxine - + - - - N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+) + + + + disaccharide phosphate - + - - - - S-methyl-L-methioninate + + + diterpenoid - + - - - phosphopantetheine anion + + + dithiol - + - - - glyphosate(2-) + + + + + + + + + + + + + behenate - + - - - lipo-chitin oligosaccharide + + + dodecanols - + - - - poly-beta-1,6-N-acetyl-D-glucosamine + + + + + dodecenoic acid - + - - - cannabinoid receptor agonist + + + + dodecenoyl-CoA - + - - - anti-inflammatory agent + + + + + + + + + dodecyl sulfate - + - - - ryanodine receptor agonist + + + + dolichol phosphate - + - - - - - - - ecgonone methyl ester + + + drug - + - - - phosphate monoester dianion + + + ecdysteroid ester - + - - - nucleobase analogue + + + + + + + + + ecdysteroid - + - - - - fumigaclavine C(1+) + + + icosanoid - + - - - 2-hydroxybenzoyl-CoA(4-) + + + + + + icosenoic acid - + - - - - - - - - - - - - - - - - - (+)-larreatricin + + + + monoatomic anion - + - - - + + + + monoatomic cation + + + + + + + + + + enzyme inhibitor + + + + + + + + + + - (+)-3'-hydroxylarreatricin - - - - - - - - - EC 3.4.24.3 (microbial collagenase) inhibitor + (+)-5-epi-aristolochene - + - - + + + + + - + - cannabinoid + episterol - + - - - gap junctional intercellular communication inhibitor + + + + epoxy monocarboxylic acid - + - - - - retinoic acid receptor agonist + + + + + + + + + + + + + + + + + + + + + + + acetochlor - + - - - AP-1 antagonist + + + ergot alkaloid - + - - - provitamin A + + + erythro-3-methylmalic acid - + - - - synthetic cannabinoid + + + erythromycins - + - - - double-stranded RNA + + + + + + + + + erythronolide - + - - - EC 3.2.1.20 (alpha-glucosidase) inhibitor + + + erythrose phosphate - + - - - - - (-)-lariciresinol + + + erythroses - + - - - - - - - - - (-)-pinoresinol + + + + + erythrulose - + - - - - - - + + + - + - + - (+)-lariciresinol - - - - - - - - - (+)-secoisolariciresinol + estradiol - + - - - - - secoisolariciresinol + + + estrane - + - - - beta-diketone + + + ethanediol - + - - - - - monohydroxy-1,4-benzoquinones + + + ethanolamines - + - - - - - - - - - - - - - - - - - - - - - metformin + + + ethanols - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - methamphetamine + + + ethyl ester - + - - - - azole + + + ethyl 3-hydroxyhexanoate - + - - - - pyrimidine deoxyribonucleoside + + + ethylene releasers - + - - - mTOR inhibitor + + + + farnesal - + - - - - - - - - - - - strigolactone + + + farnesyl phosphate - + - - - - alkyl,acyl-sn-glycero-3-phosphocholine + + + fat-soluble vitamin - + - - - - apoptosis inhibitor + + + + fatty alcohol - + - - - apoptosis inducer + + + fatty-acyl group - + - - - - - - - - - - diethyl maleate + + + iron(3+) chelator - + - - - glutathione depleting agent + + + + + ferulic acids - + - - - P2Y12 receptor antagonist + + + + + + + + + + + flavin adenine dinucleotide - + - - - + + + + - + - cis-abienol + flavin mononucleotide - + - - - (+)-epi-alpha-bisabolol + + + flavones - + - - - CMP-N-acyl-beta-neuraminate(2-) + + + + fluoren-9-ones - + - - + + - + - pectate + fluorenes - + - - - + + - + - poly(glycerol phosphate) anion + fluorine atom - + - - - - - - - - + + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + - methylphenidate + fluorine molecular entity - + - - - - - - - - - - - - - - - - - - - - - - - - latrunculin A + + + + fluoroalkane - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - miconazole + + + + fluoroamino acid - + - - - - - - - - - - - - - - - - carbonarone A + + + formamides - + - - - - - - - - - - - pestalamide A + + + formimidoyltetrahydrofolic acid - + - - - 2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose + + + formyl phosphate(2-) - + - - - progesterone receptor agonist + + + formyltetrahydrofolic acid - + - - - - - - - - - - - - - - - - - + + + fructosamine + + + + + + + + + + - + + fructosylglycine + + + + + + + + + - + - reversine + fructosyllysine - + - - - cell dedifferentiation agent + + + fructuronate - + - - - adenosine A3 receptor antagonist + + + fructuronic acid - + - - - - - - - - - - - - - hesperadin + + + fuconate - + - - - topoisomerase inhibitor + + + fuconic acid - + - - - actin polymerisation inhibitor + + + fucoside - + - - - Aurora kinase inhibitor + + + + fucosyl oligoglycosylceramide - + - - - - - - - - - - - - capsazepine + + + + fungicide - + - - - capsaicin receptor antagonist + + + furanocoumarin - + - - - - - - - - - - - GW 7647 + + + + furans - + - - - PPAR modulator + + + galactaric acid derivative - + - - - - PPARalpha agonist + + + galactoglucomannan - + - - - pentalenolactone(1-) + + + + galactoglycerolipid - + - - - - glutamine derivative + + + galactonate - + - - - - - - - - - - - - - - - - - + + - + - pentalenolactone + galactonic acid - + - - - EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor + + + galactonolactone - + - - - - - - isopentadecanoate + + + galactooligosaccharide - + - - - antileishmanial agent + + + galactosamine phosphate - + - - - - alkane-alpha,omega-diammonium(2+) + + + galactosamine sulfate - + - - - - hexacyclic triterpenoid + + + galactosamine - + - - - G-protein-coupled receptor agonist + + + galactosaminoglycan - + - - - Sir2 inhibitor + + + galactosaminyl group - + - - - prohormone + + + galactoside - + - - - - - flavan-3,3',4',5,5',7-hexol + + + galactosyl group - + - - - (+)-epigallocatechin + + + galactosylglycerol phosphate - + - - - adenosine receptor antagonist + + + + galactosylglycerol - + - - - EC 2.* (transferase) inhibitor + + + galacturonan - + - - - bis(molybdopterin guanine dinucleotide)molybdenum(4-) + + + galacturonate - + - - - autoinducer + + + galloyl beta-D-glucose - + - - - novobiocin(1-) + + + gamma-glutamyl group - + - - - - Mo(VI)-molybdopterin cytosine dinucleotide + + + + gamma-glutamylcysteine - + - - - tetracycline(1-) + + + gentiobioside - + - - - - - hexadec-9-enoate + + + + + + 3,7-dimethylocta-2,6-dien-1-ol - + - - - EC 2.3.1.85 (fatty acid synthase) inhibitor + + + + + + + + + + + + + + + + + + + + + + geranylgeraniol - + - - - guanosine 3'-diphosphate 5'-triphosphate(7-) + + + + geranylgeranylglycerol 1-phosphate - + - - - chanoclavine-I aldehyde(1+) + + + + geranylhydroquinone - + - - - c-GMP-AMP(2-) + + + + + + + + + + acetylpyruvic acid - + - - - + + + - + - beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) + gibberellin - + - - - (25S)-Delta(4)-dafachronate + + + glucocorticoid - + - - - (25S)-Delta(7)-dafachronate + + + glucoglycerolipid - + - - - - rotenoid + + + gluconate - + - - - - - - - - - (25S)-Delta(7)-dafachronic acid + + + gluconic acid - + - - - - - - - - - (25S)-Delta(4)-dafachronic acid + + + gluconolactone - + - - - - - c-GMP-AMP + + + glucooligosaccharide - + - - - - anthocyanidin glycoside + + + glucosamine phosphate - + - - - 3-oxo Delta(7)-steroid - - - - - - - - - - - hydroxybenzoquinone - - - - - - - - - gamma-amino acid anion - - - - - - - - - aldonate(1-) + + + glucosamines - + - - - cyanidin(1-) + + + glucosaminyl group - + - - - aldehydic acid anion + + + glucosaminylamine - + - - - - - - - - - - - - - - - - - - - - - - - - - - - tyrocidine + + + + glucosaminylphosphodolichol - + - - - - - - - - - - - - - - - - - tyrocidine B + + + glucosaminylphosphatidylinositol - + - - - - - - - - - - - - - - - - - - - - - - - tyrocidine C + + + glucoside - + - - - - - - - - - - + + - + - tyrocidine D - - - - - - - - - flavonol(1-) - - - - - - - - - hexadec-9-enoic acid - - - - - - - - - - hydroxyflavan + glucosinolate - + - - - N-acetylhexosamine + + + D-glucosyl group - + - - - virulence factor + + + glucosyl group - + - - - - 2-deoxystreptamine(1+) + + + glucosyl hydroxycinnamic acid - + - - - poly(glycerol phosphate) teichoic acid + + + + glucosylglycerol phosphate - + - - - poly(ribitol phosphate) teichoic acid + + + + glucosylglycerol - + - - - poly(glucopyranosyl N-acetylgalactosamine 1-phosphate) teichoic acid + + + + + + + + + glucosyl-N(6)-isopentenyladenine - + - - - - flavonoids + + + glucuronate - + - - - - + + - + - + + glucuronic acid + + + + + + + + - + - temozolomide + glucuronolactone - + - - - - imidazotetrazine + + + + glucosiduronic acid - + - - - triazene derivative + + + + + + + + + glutaconic acid - + - - - - aurones + + + + glutaconyl-CoA - + - - - tetrahydrochromenochromene + + + glutamic semialdehyde - + - - - - rotenones + + + glutamic acid derivative - + - - - semisynthetic derivative + + + + + L-glutamine derivative - + - - - - - - - papulacandin + + + + glutamine family amino acid - + - - - - spiroketal + + + EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor - + - - - - organic molecule + + + glutamo group - + - - - - chromenyliums + + + glutamyl-L-amino acid - + - - - - - flavonoid oligomer + + + glutaramic acid - + - - - - - - - - - - - - - - - - - - - - - - - - - - - neosartoricin + + + glutarate - + - - - - kanamycin C(4+) + + + glutaryl-CoAs - + - - - - kanamycin X(3+) + + + + glutathione conjugate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - verruculogen + + + + + glutathione derivative - + - - - aryl hydrocarbon receptor agonist + + + + 2-phosphoglyceric acid - + - - - kanamycin X + + + phosphoglyceric acid - + - - - - - - - - - - HOTrE + + + glycerates - + - - - exopolysaccharide + + + glycerol ether - + - - - glycerophosphoethanolamine zwitterion + + + + glycerone phosphates - + - - - - kanamycin D(3+) + + + + glycerone derivative - + - - - - chanoclavine-I(1+) + + + glycerophosphoglycerols - + - - - kanamycin D + + + glycinamide ribonucleotide - + - - - - hemiaminal + + + glycine cholesterol esters - + - - - - ganglioside GM1(1-) + + + glycine derivative - + - - - EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor + + + glycogens - + - - - - trienoic fatty acid + + + glycoglycerolipid - + - - - EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors + + + glycolaldehydes - + - - - plant activator + + + + glycopeptide - + - - - abscisic acid receptor agonist + + + + glycophospholipid - + - - - ceramide phosphoethanolamine zwitterion + + + glycosaminyl group - + - - - - ceramide phosphoethanolamine + + + glycoside - + - - - EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor + + + glycosinolate - + - - - NF-kappaB inhibitor + + + + glycosphingolipid - + - - - cyclooxygenase 3 inhibitor + + + glycosyl group - + - - - archaeosine residue + + + glycosylglucose - + - - - archaeosine + + + glycosylglycerol - + - - - adenosine receptor agonist + + + glycosyl glycoside - + - - - 2'-deoxyribonucleoside 5'-diphosphate(3-) + + + glycosylphosphatidylinositolethanolamine - + - - - ultraviolet filter + + + + + glycosylphosphatidylinositol - + - - - vulnerary + + chemical entity - + - - - alpha-CH2-containing aldehyde + + + biological role - + - - - EC 3.4.11.18 (methionyl aminopeptidase) inhibitor + + + + + + + + + group - + - - - methionine aminopeptidase 2 inhibitor + + + guanidines - + - - - indole skeleton + + + + guanidinoacetic acids - + - - - acetylenic compound + + + + guanidinoethyl methyl phosphates - + - - - terminal acetylenic compound + + + + + guanosine phosphate - + - - - 1,8-naphthyridine derivative + + + guanosines - + - - - - naphthyridine derivative + + + gulonate - + - - - organic heterobicyclic ring + + + + + + + + + gulonic acid - + - - - D3 vitamins + + + haloalkane - + - - - - tobramycin(5+) + + + haloamino acid - + - - + + - - + + - Ac-Asp-Glu - - - - - - - - - - erythrose 4-phosphate/phosphoenolpyruvate family amino acid + halogen molecular entity - + - - - - - - - - - - - - - - - - ketone body + + + halohydrocarbon - + - - - - wax + + + + halogen - + - - - - thiosugar + + + + + + + + + + heme a - + - - + + + + + + + - + - K antigen + + + + + + + actinorhodin - + - - - - - - - - + + - - + + - - + + - + - enterobacterial common antigen - - - - - - - - - N-acetyl-D-glucosaminyl group + heme o - + - - - N-acetyl-D-mannosaminouronic acid + + + + + heparan alpha-D-glucosaminide - + - - - N-acetyl-D-mannosaminouronosyl group + + + + heparan sulfate proteoglycan - + - - - - 4-acetamido-4,6-dideoxy-D-galactose + + + heparan - + - - - 4-acetamido-4,6-dideoxy-D-galactosyl group + + + + heparins - + - - - antifolate + + + heptenedioate - + - - - EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor + + + + heptenedioic acid - + - - - gamma-lactam + + + heptenone - + - - - genistein(1-) + + + herbicide - + - - - - + + - + - rhizobactin 1021 + heterocyclic antibiotic - + - - - N-acylurea + + + + + organic heterocyclic compound - + - - - - L-glyceric acid + + + heterodetic cyclic peptide - + - - - D-asparagine zwitterion + + + hexachlorocyclohexane - + - - - D-valine zwitterion + + + + + hexadecatrienoic acid - + - - - - 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea + + + + hexadecen-1-ol - + - - - - - - - - - - - 4'-demethylepipodophyllotoxin + + + + hexadecenal - + - - - antidote to paracetamol poisoning + + + + + + hexadecenoic acid - + - - - antidote to curare poisoning + + + + hexadecenoyl-CoA - + - - - - 1-oleoyl-sn-glycero-3-phosphate(2-) + + + hexadienal - + - - - astringent + + + hexadienedioate - + - - - - heteroaryl hydroxy compound + + + hexadienedioic acid - + - - - - - - - - - - neamine + + + + hexadienoate - + - - - raffinose family oligosaccharide - + + + + hexadienoic acid + - + - - - - - - - - - - - - - - - mucilage + + + hexahydroxyflavone - + - - - chromogenic compound + + + cyclohexane-1,2-diol - + - - - - - - - - - - - - - - - - - - - - - - neomycin + + + hexanone - + - - - - - - - - - - - - - - - - - - - - - framycetin + + + hexaric acid anion - + - - - EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor + + + hexaric acid - + - - - ergosterol biosynthesis inhibitor + + + hexenal - + - - - EC 1.11.1.6 (catalase) inhibitor + + + + hexenoic acid - + - - - EC 1.11.1.* (peroxidases) inhibitor + + + + hexitol phosphate - + - - - 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid + + + hexitol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ghrelin + + + hexosamine phosphate - + - - - - - - - - - - D-galactopyranuronate + + + hexosamine sulfate - + - - - EC 5.* (isomerase) inhibitor + + + hexosamine - + - - - EC 6.3.* (C-N bond-forming ligase) inhibitor + + + + hexosaminide - + - - - EC 6.* (ligase) inhibitor + + + hexose 1-phosphate - + - - - EC 6.4.* (C-C bond-forming ligase) inhibitor + + + + monosaccharide sulfate - + - - - eukaryotic metabolite + + + hexuronate - + - - - animal metabolite + + + hexuronic acid - + - - - mammalian metabolite + + + histidine derivative - + - - - - B vitamin + + + homocysteines - + - - - mouse metabolite + + + + + homocystines - + - - - Saccharomyces cerevisiae metabolite + + + homodetic cyclic peptide - + - - - prokaryotic metabolite + + + homoserine derivative - + - - - mannosyl diphosphorylinositol ceramide(2-) + + + + hormone - + - - - nitroalkane + + + imidazolidine-2,4-dione - + - - - - 2-pyranones + + + hydrazines - + - - - - - - c[G(2',5')pA(3',5')p] + + + hydrocarbon - + - - - vancomycin aglycone zwitterion + + + + proton - + - - - aromatic amino-acid zwitterion + + + + + + + + + + + + + + + + dUMP(2-) - + - - - - - (R)-2-hydroxy-alpha-linolenate + + + + + HPETE - + - - - - 2-hydroxy fatty acid anion + + + hydroquinones - + - - - - (2R)-2-hydroxy fatty acid anion + + + + hydroxamic acid anion - + - - - xenobiotic metabolite + + + hydroxamic acid - + - - - aromatic ketone + + + + + + + + + + + hydroxides - + - - - - (R)-2-hydroxy-alpha-linolenic acid + + + + hydroxy fatty acid - + - - - inositol phosphate oxoanion + + + + hydroxy-L-arginine - + - - - (+)-menthol + + + + hydroxy-L-glutamic acid - + - - - omega-hydroxy fatty acid anion + + + + hydroxy-L-lysine - + - - - greenhouse gas + + + hydroxy-amino acid - + - - - propellant + + + + hydroxy-5beta-cholanic acid - + - - - quercetin O-glycoside + + + + hydroxyacetophenone - + - - - marine metabolite + + + + hydroxy carboxylic acid - + - - - glycerophosphoglycerophosphoglycerol(2-) + + + + hydroxybenzaldehyde - + - - - - sn-glycero-3-monophosphate(2-) + + + + hydroxybenzoate - + - - - NDP-alpha-D-glucose(2-) + + + + hydroxybenzoic acid - + - - - polyunsaturated fatty acid anion + + + + hydroxybenzophenone - + - - - disubstituted glycerol + + + + + hydroxybenzoyl-CoA - + - - - nephroprotective agent + + + + hydroxybenzyl alcohol - + - - - - EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor + + + + secondary alpha-hydroxy ketone - + - - - omega-methyl fatty acid anion + + + + hydroxybiphenyls - + - - - 2-lysophosphatidic acid + + + hydroxybutyric acid - + - - - EC 2.1.* (C1-transferase) inhibitor + + + hydroxybutanoyl-CoA - + - - - EC 2.2.* (aldehyde or ketone transferase) inhibitor + + + monohydroxycinnamic acid - + - - - EC 2.3.* (acyltransferase) inhibitor + + + hydroxycinnamic acid - + - - - EC 2.4.* (glycosyltransferase) inhibitor + + + hydroxycyclohexanone - + - - - EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor + + + + hydroxyflavanone - + - - - EC 2.7.* (P-containing group transferase) inhibitor + + + + hydroxyflavone - + - - - EC 5.4.* (intramolecular transferase) inhibitor + + + + hydroxyfluorenes - + - - - EC 5.99.* (other isomerases) inhibitor + + + hydroxykynurenamine - + - - - - O-acetylhomoserine + + + hydroxylamines - + - - - EC 4.* (lyase) inhibitor + + + hydroxymalonate - + - - - EC 4.1.* (C-C lyase) inhibitor + + + hydroxymethyl group - + - - - EC 4.2.* (C-O lyase) inhibitor + + + + hydroxynaphthalene - + - - - EC 4.3.* (C-N lyase) inhibitor + + + 6-hydroxynicotine - + - - - EC 1.* (oxidoreductase) inhibitor + + + hydroxynitrile - + - - - EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor + + + hydroxyphenylacetaldehyde oxime - + - - - EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor + + + + + hydroxyphenylalanine - + - - - EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor + + + 2-hydroxypropyl-CoM - + - - - EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor + + + + hydroxypyridine - + - - - EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor + + + + hydroxyoctadecanoic acid - + - - - EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor + + + + hydroxytoluene - + - - - EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor + + + + hygromycin - + - - - EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor + + + + + + + + + + + + + + + + + + + + + + hypochlorous acid - + - - - EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor + + + idaric acid - + - - - EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor + + + iditol - + - - - EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor + + + iduronates - + - - - EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor + + + + + + + + + iduronic acid - + - - - EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor + + + 3-(imidazol-5-yl)lactate - + - - - EC 3.* (hydrolase) inhibitor + + + + imidazolylacetaldehyde - + - - - EC 3.1.* (ester hydrolase) inhibitor + + + imidazoles - + - - - EC 3.2.* (glycosylase) inhibitor + + + + imidazolinone - + - - - EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor + + + imide - + - - - EC 3.1.1.* (carboxylic ester hydrolase) inhibitor + + + + imine - + - - - EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor + + + iminodiacetate - + - - - EC 3.4.21.26 (prolyl oligopeptidase) inhibitor + + + + + + + + + + + iminodiacetic acid - + - - - EC 3.4.15.* (peptidyl-dipeptidase) inhibitor + + + + indanones - + - - - EC 3.4.11.* (aminopeptidase) inhibitor + + + + + + + + + + + adenosylcobinamide guanosyl diphosphate - + - - - EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor + + + indoledione - + - - - EC 2.4.2.* (pentosyltransferase) inhibitor + + + indolylmethylglucosinolate - + - - - EC 3.4.22.* (cysteine endopeptidase) inhibitor + + + + + + + + + indole phytoalexin - + - - - EC 2.5.1.18 (glutathione transferase) inhibitor + + + + + + + + + + + + + + + adenosylcobinamide - + - - - EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor + + + indole-3-acetic acids - + - - - EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor + + + + + + + + + + + + + + + indole-3-carboxylic acid - + - - - EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor + + + + + + + + + + adenosylcobinamide phosphate - + - - - - EC 2.7.11.* (protein-serine/threonine kinase) inhibitor + + + indol-3-yl carboxylic acid - + - - - EC 2.7.7.* (nucleotidyltransferase) inhibitor + + + + + + + + + + 3-(indol-3-yl)lactic acid - + - - - EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor + + + + + + + + + + + + + + + indole-3-methanol - + - - - - EC 2.7.10.* (protein-tyrosine kinase) inhibitor + + + + + + + + + adenosylcob(III)yrinic acid a,c-diamide - + - - - EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor + + + + indolyl carbohydrate - + - - - EC 6.4.1.* (carboxylase) inhibitor + + + + indoleacetaldehyde - + - - - EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor + + + indoles - + - - - EC 5.99.1.* (miscellaneous isomerase) inhibitor + + + indolones - + - - - EC 4.3.1.* (ammonia-lyase) inhibitor + + + adenosylcobyric acid - + - - - EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor + + + + + + + + + oxoacid - + - - - EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor + + + + inorganic anion - + - - - EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor + + + inorganic molecular entity - + - - - EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor + + + + inorganic oxide - + - - - EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor + + + + inorganic peroxide - + - - - EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor + + + + inorganic phosphate - + - - - vancomycin(1+) + + + + inorganic salt - + - - - EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor + + + inosine phosphate - + - - - EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor + + + inosines - + - - - EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor + + + inositol phosphate - + - - - EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor + + + + inositol - + - - - EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor + + + + insect attractant - + - - - EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor + + + insecticide - + - - - EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor + + + intercalator - + - - - EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor + + + + + + + + + + + + + + + iodine atom - + - - - EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor + + + + + + + + + iodine molecular entity - + - - - EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor + + + + iodoamino acid - + - - - EC 2.1.1.* (methyltransferases) inhibitor + + + + iodophenol - + - - - EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor + + + + iodothyronine - + - - - EC 2.2.1.* (transketolase/transaldolase) inhibitor + + + + iodotyrosine - + - - - EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor + + + + + + + + + + + + + + + salt - + - - - EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor + + + + monoatomic ion - + - - - EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor + + + organic salt - + - - - EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor + + + ionophore - + - - - EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor + + + ion - + - - - EC 1.14.14.1 (unspecific monooxygenase) inhibitor + + + + + + + + + iron molecular entity - + - - - EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor + + + iron ionophore - + - - - EC 4.1.1.* (carboxy-lyase) inhibitor + + + + iron cation - + - - - EC 4.2.1.* (hydro-lyases) inhibitor + + + isoindoles - + - - - plant metabolite + + + + + + + + + + + + + + + isoleucine - + - - - - 2,3-saturated fatty acid(1-) + + + isoleucine derivative - + - - - 2,3-saturated fatty acid + + + + + + + 6-oxohexanoic acid - + - - - Ac-Asp-Glu(3-) + + + hydrocarbyladenosine - + - - - pathway inhibitor + + + + + + + + + isopiperitenol - + - - - EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor + + + + isoprenoid - + - - - EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor + + + isoquinoline alkaloid - + - - - sphingoid 1-phosphate(1-) + + + + isoquinolines - + - - - fungal metabolite + + + isoquinolinol - + - - - Aspergillus metabolite + + + + isothiocyanic acid - + - - - Penicillium metabolite + + + jasmonates - + - - - - human xenobiotic metabolite + + + + + + + + + + + + + + + juvenile hormone - + - - - - fungal xenobiotic metabolite + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + adrenosterone - + - - - bacterial metabolite + + + + kanamycins - + - - - Escherichia coli metabolite + + + keto-disaccharide - + - - - - bacterial xenobiotic metabolite + + + + ketoaldehyde - + - - - - xenoestrogen + + + ketoaldonate - + - - - phytoestrogen + + + ketoaldonic acid phosphate - + - - - EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor + + + + ketoaldonic acid - + - - - EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor + + + + deoxyketohexose phosphate - + - - - EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor + + + + deoxyketohexose - + - - - expectorant + + + keto-D-gluconate - + - - - sphingoid 1-phosphate + + + ketogluconic acid - + - - - EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor + + + ketohexose bisphosphate - + - - - EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor + + + ketohexose monophosphate - + - - - TMP + + + + ketohexose phosphate - + - - - - - - sinapic acid + + + + ketohexose - + - - - 6-sulfoquinovose(1-) + + + + ketooctose - + - - - - 3-oxo-Delta(1),Delta(4)-steroid + + + + ketopentose phosphate - + - - - histological dye + + + + ketopentose - + - - - food colouring + + + ketose - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ochratoxin A + + + ketotetrose phosphate - + - - - - - - - - - 6-sulfoquinovose + + + + ketotetrose - + - - - EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor + + + + ketotriose - + - - - cardioprotective agent + + + ketoxime - + - - - - - - - - - - - - - - - - + + + + + kynurenamines + + + + + + + + + + + lactam + + + + + + + + - + - + + lactate + + + + + + + + + + + lactone + + + + + + + + + lactosamines + + + + + + + + + lactose phosphate + + + + + + + + + + lead atom + + + + + + + + + - - + + - + + leucine + + + + + + + + + + L-leucine derivative + + + + + + + + - + - olanzapine + leucomycin - + - - - - long-chain primary fatty alcohol + + + leukotriene - + - - - EC 1.1.1.188 (prostaglandin-F synthase) inhibitor + + + lignan - + - - + + + + - + - 1-undecene + + + + + + + aflatoxin B1 - + - - - dicarboxylic acid monoamide(1-) + + + limonene monoterpenoid - + - - - EC 1.1.1.25 (shikimate dehydrogenase) inhibitor + + + linear tetrapyrrole - + - - + + + + - + - 1-pentadecene + linolenic acid - + - - - thermal degradation product + + + + lipid As - + - - - Maillard reaction product + + + + + + + + + + + lombricine - + - - - monoacyl-sn-glycerol 3-phosphate(2-) + + + luciferin - + - - - unsaturated fatty acyl-CoA(4-) + + + + luteolin O-glucuronoside - + - - - fatty acyl-CoA(4-) + + + + + + + + + + + + + + + + lysine - + - - - EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor + + + + L-lysine derivative - + - - - - - - - - - - - - - - + + + lyxose + + + + + + + + - + + macrolide antibiotic + + + + + + + + + + macrolide + + + + + + + + - + - emodin(1-) + magnesium atom - + - - - N-acyl-D-phenylalanine + + + + + + + + + magnesium molecular entity - + - - - - N-acyl-L-phenylalanine + + + + magnesium porphyrin - + - - - EC 4.3.1.3 (histidine ammonia-lyase) inhibitor + + + malate - + - - - EC 3.4.19.* (omega-peptidase) inhibitor + + + malonyl-CoAs - + - - - EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor + + + maltodextrin - + - - - alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine(1-) + + + maltose phosphate - + - - - carboxamidinium ion + + + mandelate - + - - - human metabolite + + + + + + prunasin - + - - - - - - - - + + - - + + - enterobactin(1-) + manganese molecular entity - + - - - guanosine 3',5'-bis(diphosphate)(5-) + + + + manganese cation - + - - - glycerol 1-phosphodiester(1-) + + + mannosamine phosphate - + - - - persistent organic pollutant + + + mannosamine - + - - - cyanidin 3-O-beta-D-glucoside(1-) + + + mannosaminolactone - + - - - 4-hydroxycoumarin(1-) + + + + mannosylinositol phosphorylceramide - + - - - 3-cyano-L-alanine zwitterion + + + mannoside - + - - - EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor + + + mannosyl groups - + - - - isopentenol + + + mannooligosaccharide - + - - - - - - - - - - - - - - - - - - - - - - - - - - - tetracycline zwitterion + + + mannuronates - + - - - - phosphate monoester + + + mannuronic acid - + - - - EC 3.5.1.4 (amidase) inhibitor - - - - - - - - - L-erythro-sphingosine(1+) + + + + + + + + + melanins - + - - - - food antioxidant + + + menaquinones - + - - - food stabiliser + + + p-menthane monoterpenoid - + - - - food thickening agent + + + + + + + + + + p-menthan-3-ol - + - - - food packaging gas + + + + + 1,4-dimercaptobutane-2,3-diol - + - - - - vancomycin aglycone(1-) + + + agroclavine - + - - - - food bleaching agent + + + mercury atom - + - - - food gelling agent + + + + + + + + + mercury molecular entity - + - - - - food propellant + + + + mercury cation - + - - - - octadecenoate + + + metabolite - + - - - - - icosatrienoate + + + + metal cation - + - - - - - - hexadecenoate + + + + + + + + + metal-sulfur cluster - + - - - - fatty acid anion 3:0 + + + + + metalloporphyrin - + - - - - fatty acid anion 4:0 + + + methacrylate - + - - - - fatty acid anion 6:0 + + + methacrylic acid - + - - - fatty acid anion 8:0 + + + + methanesulfonate ester - + - - - fatty acid anion 12:0 + + + methanesulfonate - + - - - fatty acid anion 14:0 + + + + methionine derivative - + - - - fatty acid anion 15:0 + + + monomethoxybenzene - + - - - fatty acid anion 16:0 + + + methoxybenzoate - + - - - fatty acid anion 18:0 + + + + methoxybenzoic acid - + - - - fatty acid anion 24:0 + + + + methoxyflavanone - + - - - 2-lysophosphatidate(2-) + + + + methoxyflavone - + - - - monoacylglycerol 3-phosphate(2-) + + + methyl ester - + - - - glycero-3-monophosphate(2-) + + + methyl halides - + - - - 1-alkyl-2-acyl-glycero-3-phosphocholine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + methyl methanesulfonate - + - - - alkylacylglycero-3-phosphocholine + + + + methyl D-galactoside - + - - - 1,2-diacylglycero-3-phospho-1-inositol(1-) + + + + methyl-L-alanine - + - - - lysophosphatidate 18:1 + + + methyl-L-methionine - + - - - food component + + + methyl myo-inositols - + - - - environmental contaminant + + + methyl-branched fatty acyl-CoA - + - - - - - - - - - - - - - - - 2-hydroxypropanoic acid + + + methyladenine - + - - - Delta(4)-dafachronate + + + methyladenosine - + - - - lichen metabolite + + + methylamines - + - - - - EC 2.7.1.1 (hexokinase) inhibitor + + + methylaniline - + - - - refrigerant + + + methylbenzoic acid - + - - - EC 3.1.1.1 (carboxylesterase) inhibitor + + + + methylbenzyl alcohol - + - - - - alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) + + + methylbutanal - + - - - - ganglioside GM2(1-) + + + + methylbutanoyl-CoA - + - - - protein kinase A agonist + + + methylcatechol - + - - - adenylate cyclase agonist + + + methylenetetrahydrofolic acid - + - - - - pyrimidinecarboxylic acid + + + methyl glycoside - + - - - alpha-amino acid zwitterion + + + methylguanosine - + - - - carbohydrates and carbohydrate derivatives + + + methylisocitric acid - + - - - - - - - - - - - - - - - - - - - - + + - + - 9-cis-retinoate + 3-methylmalic acid - + - - - - chroman-6-ol + + + methylmercury compound - + - - - fundamental metabolite + + + methylnaphthalenes - + - - + + + + - + - D-ribose 5-phosphate - - - - - - - - - + - D-fructose 1,6-bisphosphate - - - - - - - - - - - Delta(4)-dafachronic acid - - - - - - - - - D-fructofuranose 2,6-bisphosphate - - - - - - - - - + - D-fructose 6-phosphate + alachlor - + - - - - - - - dafachronic acids + + + + pretetramide - + - - - - - - - - - - Delta(7)-dafachronic acid + + + methylpropanoyl-CoA - + - - - tetrahydropyrimidine + + + methylpyridines - + - - - 1,4,5,6-tetrahydropyrimidines + + + methyltetrahydrofolate - + - - - UDP-alpha-D-galactosamine(1-) + + + methyluridine - + - - - UDP-alpha-D-glucosamine(1-) + + + methylxanthine - + - - - - - - - - - - - - - - - - oxytocin + + + mevalonate - + - - - + + - + - tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate + mevalonic acid - + - - - - - - - - - - + + + mineralocorticoid + + + + + + + + + mitochondrial respiratory-chain inhibitor + + + + + + + + + + - + - + - oxidopamine + mitomycin - + - - - - ascarylopyranose + + + + elemental molecule - + - - - alpha-ascarylopyranose + + + molecule - + - - - + + - - + + - diarylheptanoid - - - - - - - - - nematode metabolite + molybdenum molecular entity - + - - - Caenorhabditis elegans metabolite + + + molybdic acid - + - - - + + - + + molybdopterin cofactor + + + + + + + + - + - ascr#2 + monoamine molecular messenger - + - - - - 5-hydroxyhexan-2-one + + + + acetylenic fatty acid - + - - - (5R)-5-hydroxyhexan-2-one + + + monoalkyl phosphate - + - - - olefinic compound + + + monocarboxylic acid - + - - - L-canavanine(1+) + + + monohydroxyacetophenone - + - - - - - - - - - mannoprotein + + + monohydroxybenzoate - + - - - archaeal metabolite + + + monohydroxybenzoic acid - + - - - - (omega-1)-hydroxy fatty acid + + + naphthols - + - - - - - - - - - - - - - - - - - - hexadecanoate + + + + cresol - + - - - - (R)-nicotinium(1+) + + + monoiodotyrosine - + - - - alpha,beta-unsaturated monocarboxylic acid + + + monomethoxyflavone - + - - - L-glucuronic acid + + + monophosphoglyceric acid - + - - - L-glucopyranuronic acid + + + monoterpene ketone - + - - - D-arabinofuranose + + + monoterpenoid - + - - - plasticiser + + + monoterpenols - + - - - - - - - - - - - - hercynylcysteine sulfoxide + + + monoterpenyl phosphate - + - - - - - - - - - - - hercynylselenocysteine + + + monounsaturated fatty acid - + - - - - - - - - - - - - - - - - - - - - - - selenoneine + + + monoatomic monocation - + - - - - cyclic 2,3-bisphospho-D-glycerate(3-) + + + morphinane alkaloid - + - - - - EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor + + + muconate semialdehyde - + - - + + + mugineic acid + + + + + + + + + - + - pantothenic acid + mugineic acids - + - - - hydroxy ketone ascaroside + + + monoatomic polycation - + - - - - ascaroside + + + + muramic acids - + - - - beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide + + + mutagen - + - - - alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide + + + mycolates - + - - - alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) + + + mycolic acid - + - - - N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide + + + + mycothiols - + - - - N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) + + + + mycotoxin - + - - - - - glycosinolic acid + + + myo-inositol bisphosphate - + - - - alkenylglucosinolic acid + + + myo-inositol cyclic phosphate - + - - - - - - - - - - glucosinolic acid + + + myo-inositol hexakisphosphates - + - - - gluconapin + + + myo-inositol monophosphate - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - paromomycin + + + myo-inositol pentakisphosphate - + - - - anionic ganglioside + + + myo-inositol phosphate - + - - - hydroxy-alkenylglucosinolic acid + + + myo-inositol tetrakisphosphate - + - - - - xi-progoitrin + + + myo-inositol trisphosphate - + - - - progoitrin + + + + naphthalenes - + - - - indolylmethylglucosinolic acid + + + naphthalenesulfonate - + - - - trivalent inorganic anion + + + + naphthalenone - + - - - divalent inorganic anion + + + naphthoquinone - + - - - monovalent inorganic anion + + + naphthoate - + - - - Nonylphenol + + + + naphthoic acid - + - - - peptidoglycan + + + nematicide - + - - - - - - - - - - - - - - - - - - - - - - - - perphenazine + + + neopterins - + - - - aliphatic nitrile + + + + neoxanthin - + - - - Substance P + + + neuraminates - + - - - Thyroglobulin triiodothyronine + + + + neuraminic acids - + - - - - - - - - - - - - - - - - - - - - - - phenoxyacetic acid + + + neurotransmitter - + - - - - - - - phorbol + + + neutral glycosphingolipid - + - - - thyroid stimulating hormone + + + + nickel cation - + - - - 2-hydroxy-5-methylquinone + + + nickel tetrapyrrole - + - - - - - - pinoresinol + + + nicotianamine - + - - - N-threonyl-glycosylphosphatidylinositolethanolamine + + + NADP - + - - - phytochrome chromophore + + + + + + + + + NAD(P) - + - - - alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) + + + N-glycosylnicotinamide - + - - - - elemental iron + + + nicotinamide nucleotide - + - - - - monounsaturated fatty acid anion + + + + pyridinecarboxamide - + - - - hercynylselenocysteine zwitterion + + + N-glycosylnicotinate - + - - - hercynylcysteine sulfoxide zwitterion + + + nicotinic acid nucleotide - + - - - - - - - - - - - - - - - - - - - - - - - ergothioneine thione form + + + + + neonicotinoid insectide - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - plumbagin + + + + nitrilotriacetate(3-) - + - - + + + + nitroaniline + + + + + + + + + - + - opine + nitrogen atom - + - - - glucocorticoid receptor antagonist + + + + organonitrogen heterocyclic antibiotic - + - - - - - 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole + + + nitroglycerol - + - - - (R)-miconazole + + + + nitrophenol - + - - - (S)-miconazole + + + + nitrotoluene - + - - - Poly(G) + + + nitrous acid - + - - - Daphnia galeata metabolite + + + + + + nocardicin - + - - - crustacean metabolite + + + nonadienedioate - + - - - Daphnia magna metabolite + + + nonadienedioic acid - + - - - Daphnia metabolite + + + nonanone - + - - - long-chain fatty acyl-CoA(4-) + + + nonmetal atom - + - - - Daphnia tenebrosa metabolite + + + aldohexose 6-phosphate - + - - - phosphatidylinositol bisphosphate(5-) + + + + + norcoclaurine - + - - - phosphatidylinositol trisphosphate(7-) + + + + nucleotide-(amino alcohol)s - + - - - L-alpha-amino acid residue + + + nucleoside antibiotic - + - - - - amino acid opine + + + + + nucleoside phosphate - + - - - 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1D-myo-inositol 3,4,5-triphosphate)(7-) + + + + nucleotide-sugar - + - - - - sterol biosynthesis inhibitor + + + + + + + + + nylons - + - - - - organosulfonic ester + + + orthoquinones - + - - - - - chlorophyllide a(2-) + + + + + + + + + + octadecadienoate - + - - - pentachlorobenzenes + + + + + + octadecadienoic acid - + - - - - marine xenobiotic metabolite + + + + + + + + + + + + + + + + + + + + + + + + octadecanoate - + - - - monochlorobenzenes + + + + + octadecatrienoic acid - + - - - alkyl sulfate(1-) + + + + + octadecenoic acid - + - - - long-chain alkane + + + + + + octadecenynoic acid - + - - - - - - - - - - (trifluoromethyl)benzenes + + + octadienediol - + - - - monofluorobenzenes + + + + octadienoate - + - - - N-acylammonia + + + + octadienol - + - - - proteinogenic amino acid derivative + + + + octamethylcyclotetrasiloxane - + - - - non-proteinogenic amino acid derivative + + + + + + + + + + + + + + + + octanoate - + - - - - proteinogenic amino acid + + + octose - + - - - morphinane-like compound + + + + + + + + + oleandomycins - + - - - non-proteinogenic amino acid + + + oligopeptide - + - - - amino acid derivative + + + + + + + + + + + + + + + + + + + + + + + + + + + + omega-3 fatty acid - + - - - - non-proteinogenic L-alpha-amino acid + + + ommatin - + - - - - L-cysteine derivative + + + + + + + + + + ommochrome - + - - - pregnane + + + + organic heteromonocyclic compound - + - - - - cationic sphingoid + + + + organic anion - + - - - - non-proteinogenic alpha-amino acid + + + + organic cation - + - - - 1,2-saturated fatty acid anion + + + ether - + - - - - L-arginine derivative + + + + organic ion - + - - - - D-arginine derivative + + + + organic oxide - + - - - 3-methyl fatty acid anion + + + + organic peroxide - + - - - - L-aspartic acid derivative + + + + + organic phosphate - + - - - - L-glutamic acid derivative + + + + organic sulfate - + - - - - D-glutamic acid derivative + + + + + + + + + organochlorine insecticide - + - - - - imidothioate + + + + organomercury compound - + - - - - - - - - - - - - - - - - - - - - - - pyoverdine + + + organometallic compound - + - - - - pentose phosphate + + + organophosphate insecticide - + - - - - L-histidine derivative + + + aliphatic alcohol - + - - - human urinary metabolite + + + + organophosphorus compound - + - - - - ganglioside GM3 + + + + + + + + + organophosphorus insecticide - + - - - - L-methionine derivative + + + + organoselenium compound - + - - - advanced glycation end-product + + + + organosilicon compound - + - - - - - D-tyrosine derivative + + + organothiophosphate insecticide - + - - - - L-serine derivative + + + + organothiophosphorus compound - + - - - - myo-inositol phosphate(2-) + + + + organotin compound - + - - + - D-phenylalanine derivative + ornithine derivative - + - - - - L-phenylalanine derivative + + + osmolyte - + - - - - L-proline derivative + + + + oxide - + - - - - L-threonine derivative + + + oxidized luciferins - + - - - 3-hydroxy fatty acid anion + + + + oxime - + - - - EC 3.5.1.19 (nicotinamidase) inhibitor + + + oxo-5beta-cholanic acid - + - - - - - methyl phenyl(piperidin-2-yl)acetate + + + oxo carboxylic acid - + - - - (1s,4s)-prephenic acid + + + hex-2-enedioate - + - - - ceramide 1-phosphate(2-) + + + hexenedioic acid - + - - - sphingoid base(1+) + + + + oxopentanoates - + - - - (omega-1)-hydroxy fatty acid anion + + + oxopentanoic acid - + - - - progoitrin(1-) + + + unsaturated fatty acid anion - + - - - 2,3-saturated fatty aldehyde + + + + + oxoproline - + - - - - Fe(III)-complexed hydroxamate siderophore + + + + + + + + + + oxygen atom - - - - - - hydroxyindoles - - + - - - - - - Fe(III)-complexed siderophore - - - - - - - - - algal metabolite + + + + + + + + + oxygen molecular entity - + - - - amiloride(1+) + + + organooxygen heterocyclic antibiotic - + - - - GDP-D-mannose + + + oxopurine - + - - - GDP-D-mannose(2-) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + ozone - + - - - oleoyl-sn-glycero-3-phosphate(2-) + + + + + + + + + p-cumate - + - - - - 2-aminoadipate(2-) + + + + p-menthane - + - - - - - prostanoic acid + + + p-quinones - + - - - skin lightening agent + + + hexadecanoate ester - + - - - EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor + + + palmitoyl amino acid - + - - - EC 1.10.3.1 (catechol oxidase) inhibitor + + + + palmitoyl-L-cysteine - + - - - EC 1.10.3.2 (laccase) inhibitor + + + palmityl group - + - - - EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor + + + pantetheines - + - - - EC 1.4.3.3 (D-amino-acid oxidase) inhibitor + + + + + + + + + + + + + + + + pantothenic acids - + - - - - beta-amino acid ester + + + + + + + + + + + + + + + + + + + + + + + + + + + 1,7-dimethylxanthine - + - - - sphingoid-1-phosphocholine(1+) + + + + + + + + + pelargonidin - + - - - - dihydroxycholanic acid + + + + penicillanic acids - + - - - human blood serum metabolite + + + + pentacyclic triterpenoid - + - - - 5-hydroxyectoine zwitterion + + + + pentadienoic acid - + - - - glycine transporter inhibitor + + + pentaerythritol nitrate - + - - - - elemental bismuth + + + + + + + + + + + + + + + pentaerythritol tetranitrate - + - - - - bismuth ion + + + Alkylated DNA - + - - - Fe4S3 iron-sulfur cluster + + + pentahydroxycyclohexanone - + - - - tRNA threonylcarbamoyladenosine + + + pentahydroxyflavone - + - - - - naphthopyran + + + pentanone - + - - - N-methyl-L-alpha-amino acid zwitterion + + + + + pentenoic acid - + - - - - - - - - - - D-kynurenine + + + + pentitol phosphate - + - - - rat metabolite + + + pentitol - + - - - 4-hydroxylysine + + + + aldopentose phosphate - + - - - methyl sulfide + + + pentose - + - - - - - - - - + + - + - conazole antifungal agent + peptide antibiotic - + - - + + - + - quinolone antibiotic + peptide hormone - + - - - - - antifungal drug + + + peptidyl group - + - - - - - antifungal agrochemical + + + + peptidyl-1-thioglycine - + - - - L-gluconic acid + + + peptidyl-amino acid - + - - + + + + peptidyl-glycine cholesteryl ester + + + + + + + + + + peptidyl-glycine + + + + + + + + - - + + - imidazole antifungal agent + peroxides - + - - + + + + - + - triazole antifungal agent + peroxynitrite - + - - - dimethylarginine + + + peroxynitrous acid - + - - - peptidoglycosaminoglycan + + + pesticide - + - - + + + + + + - + - antibiotic antifungal agent - - - - - - - - - - hydroxylysine + + + + + + + + + + + + + + + + + + + + + + + + + alliin - + - - - - monohydroxyproline + + + + + + + + + + phenanthrenes - + - - - - Gibberellic acid + + + phenoxazine - + - - - - - N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine + + + phenylacetaldehydes - + - - + + + - + - + - (R)-fluoxetine + phenylacetonitrile - + - - - - - - - - + + + phenylalanine derivative + + + + + + + + + phenylethanolamines + + + + + + + + - + - (S)-fluoxetine + 3-phenyllactic acid - + - - - - (R)-fluoxetine(1+) + + + phenylpropanoid - + - - - - (S)-fluoxetine(1+) + + + phenylpyruvate - + - - - - - - - - - aromatic fungicide + + + pheromone - + - - - - - - - - - benzimidazole fungicide + + + phosphate - + - - - - - - - - - carbamate fungicide + + + phosphatidylinositol 3-phosphate - + - - - - - - - - - - benzimidazolylcarbamate fungicide + + + phosphatidylinositol monophosphate - + - - - - - - - - - imidazole fungicide + + + phosphinic acids - + - - - - - - - - - imidazole antifungal drug + + + phosphite ion - + - - - - - - - - - - + + + phosphoamino acid + + + + + + + + + + + phosphoglycosphingolipid + + + + + + + + + phosphonate + + + + + + + + + phosphonic acids + + + + + + + + + + phosphopantetheine + + + + + + + + - + - + - + - + - quetiapine + phosphoric acid - + - - - - - - - - - - conazole antifungal drug + + + phosphoric acid derivative - + - - + + - - + + - triazole antifungal drug + phosphorus molecular entity - + - - - - - - - - - antibiotic antifungal drug + + + + photosynthetic electron-transport chain inhibitor - + - - - - - - - - - antibiotic fungicide + + + + phthalate - + - - - - - - - - - dicarboximide fungicide + + + + benzenedicarboxylic acid - + - - - - dichlorophenyl dicarboximide fungicide + + + + phylloquinones - + - - - - - - - - - dicarboximide antifungal agent + + + phytoalexin - + - - + + - + - sulfonamide antibiotic + + + + + + + phytochromobilin - + - - - ADP(2-) + + + phytoecdysteroid - + - - - - - - - - - - - - - - - statin + + + phytoene - + - - - - - - - - - statin (naturally occurring) + + + phytofluene - + - - - - statin (semi-synthetic) + + + phytosteroid - + - - - dodecanoate ester + + + + phytosterols - + - - - tetradecanoate ester + + + phytylnaphthoquinone - + - - - - - alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(5-) + + + biological pigment - + - - - - framycetin(6+) + + + pinane monoterpenoid - + - - - fructose 6-phosphate + + + + piperazines - + - - - - cyanotoxin + + + piperideine - + - - - ganglioside GM1/1b(1-) + + + + piperidine alkaloid - + - - - ganglioside GT1(3-) + + + + piperidinemonocarboxylic acid - + - - - ganglioside GP1(5-) + + + + piperidines - + - - - polyamine + + + + + + + + + + p-menthadien-3-one - + - - - monosialodiglycosylceramide(1-) + + + plant growth regulator - + - - - monosialotriglycosylceramide(1-) + + + polar amino acid - + - - - - - - - - - metal allergen + + + poly(ribitol phosphate)s - + - - + + - + - metal cation allergen + + + + + + + poly(N-acetyllactosamine) - + - - + + - + - penicillin allergen + polyene antibiotic - + - - - - drug allergen + + + + polyester macromolecule - + - - - 2-oxido-5-methylquinone + + + polyether antibiotic - + - - - - alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(3-) + + + polyprenyl glycosyl phosphate - + - - - - autophagy inhibitor + + + + polyprenyl phospho oligosaccharide - + - - - 4-nitrophenols + + + + + polyprenyl phospho carbohydrate - + - - - aralkylammonium + + + polyketide - + - - - N-(1-naphthyl)carboxamide + + + polyol - + - - - - - N-(naphthyl)carboxamide + + + polyphenol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - risperidone + + + polyphenylpropanoid - + - - - - - - - - - - - - - - - - - - - - - sodium dodecyl sulfate + + + polyprenol - + - - - c-Jun N-terminal kinase inhibitor + + + polyprenol triphosphate - + - - - EC 6.4.1.1 (pyruvate carboxylase) inhibitor + + + polyterpenoid - + - - - - + + + polyunsaturated fatty acid + + + + + + + + - + - (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one + porphyrins - + - - - 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-) + + + + + + + + + + + + + + + potassium atom - + - - - (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) + + + + + + + + + potassium molecular entity - + - - - alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(5-) + + + precorrin - + - - - medium-chain fatty acyl-CoA(4-) + + + + prenols - + - - - metformin(1+) + + + + prenyl group - + - - - retinoic acid receptor modulator + + + prenyl groups - + - - - nuclear receptor modulator + + + prenol phosphate - + - - - receptor modulator + + + polyprenylhydroquinone - + - - - dipeptide zwitterion + + + + prenylnaphthoquinone - + - - - - - - - - - 5-HPETE(1-) + + + prenylquinone - + - + + + + proanthocyanidin + + + + + + + + - - + + - + - selenocysteine + proline - + - - - aromatic carboxylate + + + proline derivative - + - - - actinorhodin(3-) + + + propan-1-ols - + - - - erythropoietin inhibitor + + + propanals - + - - - purinergic receptor P2 antagonist + + + propane-1,2-diols - + - - - elastin-laminin receptor agonist + + + propane-1,3-diols - + - - - hypusine(2+) residue + + + propanediol - + - - - - - - - - - 5-HPETE + + + propanones - + - - - - - - pyrrolysine + + + propanoyl-CoAs - + - - - - - - - - - - - - - - - - - - simvastatin + + + propenol - + - - - single-stranded DNA + + + + propynol - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - sirolimus + + + prostaglandin - + - - - sulfamic acid + + + + prostaglandins A - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - sulfathiazole + + + + + prostaglandins B - + - - - sulfinate + + + prostaglandins C - + - - - - - - - - - - - - - - - tamsulosin + + + + + prostaglandins D - + - - - - - tetracenomycin C + + + + + prostaglandins E - + - - - - - - - - - - - - - - - - - thapsigargin + + + amidine - + - - - - - - - - - thiamine(1+) diphosphate + + + prostaglandins F - + - - - thioglucoside + + + + + prostaglandins G - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ticlopidine + + + + + prostaglandins H - + - - - - - - - - - - - - - - - - - - - - - - trichodermin + + + + prostaglandins I - + - - - - vasopressin + + + + prostaglandins J - + - - - - - - - - - - vibriobactin + + + prostanoid - + - - - - - - - - - - - - - - substance with Mycoplasma genitalium metabolite role + + + prosthetic group - + - - - - - - - - - - - - - - substance with EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor role + + + + proteochondroitin sulfate - + - - - - - - - - - - - - - - substance with hydrogen acceptor role + + + protochlorophyllides - + - - - - - - - - - - - - - - substance with EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor role + + + + heme b - + - - - - - - - - - - - - - - substance with bleaching agent role + + + protoporphyrins - + - - - - - - - - - - - - - - substance with radiosensitizing agent role + + + pseudouridines - + - - - - - - - - - - - - - - substance with pro-agent role + + + psoralens - + - - - - - - - - - - - - - - substance with antidote to sarin poisoning role + + + + + pteridines - + - - - - - - - - - - - - - - substance with endocrine disruptor role + + + pterin - + - - - - - - - - - - - - - - substance with inorganic acid role + + + pterins - + - - - - - - - - - - - - - - substance with carotenoid biosynthesis inhibitor role + + + + pterocarpans - + - - - - - - - - - - - - - - substance with sensitiser role + + + + + + + + + + + + + + + + p-menth-4(8)-en-3-one - + - - - - - - - - - - - - - - - - substance with specialised pro-resolving mediator role + + + pullulans - + - - - - - - - - - - - - - - substance with electron donor role + + + + purine alkaloid - + - - - - - - - - - - - - - - substance with acceptor role + + + + purine nucleobase - + - - - - - - - - - - - - - - substance with hydrogen donor role + + + + purine 2'-deoxyribonucleoside diphosphate - + - - - - - - - - - - - - - - substance with electron acceptor role + + + + purine 2'-deoxyribonucleoside monophosphate - + - - - - - - - - - - - - - - substance with donor role + + + + purine deoxyribonucleoside triphosphate - + - - - - - - - - - - - - - - substance with EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor role + + + + + + + + + + + + + + + + + + amiloride - + - - - - - - - - - - - - - - - substance with vitamin C role + + + + purine 2'-deoxyribonucleotide - + - - - - - - - - - - - - - - substance with acaricide role + + + purine nucleoside diphosphate - + - - - - - - - - - - - - - - - substance with EC 2.2.1.6 (acetolactate synthase) inhibitor role + + + purine nucleoside monophosphate - + - - - - - - - - - - - - - - substance with alkylating agent role + + + purine nucleoside triphosphate - + - - - - - - - - - - - - - - substance with antioxidant role + + + + purine nucleoside - + - - - - - - - - - - - - - - substance with antiviral agent role + + + + purine nucleotide - + - - - - - - - - - - - - - - substance with auxin role + + + + purine ribonucleoside diphosphate - + - - - - - - - - - - - - - - substance with base role + + + + purine ribonucleoside monophosphate - + - - - - - - - - - - - - - - substance with phytogenic insecticide role + + + + purine ribonucleoside triphosphate - + - - - - - - - - - - - - - - substance with calcium ionophore role + + + + purine ribonucleoside - + - - - - - - - - - - - - - - substance with EC 4.2.1.1 (carbonic anhydrase) inhibitor role + + + + purine ribonucleotide - + - - - - - - - - - - - - - - substance with chromophore role + + + purines - + - - - - - - - - - - - - - - substance with coenzyme role + + + + + + + + + puromycins - + - - - - - - - - - - - - - - substance with cofactor role + + + N-substituted putrescine - + - - - - - - - - - - - - - - substance with compatible osmolytes role + + + + pyrans - + - - - - - - - - - - - - - - substance with cytokinin role + + + pyrazoles - + - - - - - - - - - - - - - - substance with defoliant role + + + + pyrethroid insecticide - + - - - - - - - - - - - - - - substance with drug role + + + pyridazinone - + - - - - - - - - - - - - - - - substance with enzyme inhibitor role + + + + pyridine alkaloid - + - - - - - - - - - - - - - - substance with ethylene releasers role + + + + + pyridinemonocarboxylic acid - + - - - - - - - - - - - - - - substance with fat-soluble vitamin role + + + + pyridines - + - - - - - - - - - - - - - - substance with iron(3+) chelator role + + + + pyrimidine nucleobase - + - - - - - - - - - - - - - - - substance with fungicide role + + + + pyrimidine 2'-deoxyribonucleoside diphosphate - + - - - - - - - - - - - - - - substance with EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor role + + + + pyrimidine 2'-deoxyribonucleoside monophosphate - + - - - - - - - - - - - - - - substance with biological role role + + + + pyrimidine deoxyribonucleoside triphosphate - + - - - - - - - - - - - - - - substance with herbicide role + + + + pyrimidine 2'-deoxyribonucleotide - + - - - - - - - - - - - - - - - substance with hormone role + + + pyrimidine nucleoside diphosphate - + - - - - - - - - - - - - - - substance with insecticide role + + + pyrimidine nucleoside monophosphate - + - - - - - - - - - - - - - - substance with intercalator role + + + pyrimidine nucleoside triphosphate - + - - - - - - - - - - - - - - substance with ionophore role + + + + pyrimidine nucleoside - + - - - - - - - - - - - - - - substance with iron ionophore role + + + + pyrimidine nucleotide - + - - - - - - - - - - - - - - substance with jasmonates role + + + + pyrimidine ribonucleoside diphosphate - + - - - - - - - - - - - - - - substance with metabolite role + + + + pyrimidine ribonucleoside monophosphate - + - - - - - - - - - - - - - - substance with mitochondrial respiratory-chain inhibitor role + + + + pyrimidine ribonucleoside triphosphate - + - - - - - - - - - - - - - - substance with mutagen role + + + + pyrimidine ribonucleotide - + - - - - - - - - - - - - - - - substance with mycotoxin role + + + + pyrimidinemonocarboxylic acid - + - - - - - - - - - - - - - - substance with nematicide role + + + pyrrolecarboxylate - + - - - - - - - - - - - - - - substance with neurotransmitter role + + + + pyrrolecarboxylic acid - + - - - - - - - - - - - - - - - - substance with neonicotinoid insectide role + + + pyrroles - + - - - - - - - - - - - - - - substance with nucleoside antibiotic role + + + + pyrrolidine alkaloid - + - - - - - - - - - - - - - - substance with osmolyte role + + + 1-pyrrolinecarboxylate - + - - - - - - - - - - - - - - substance with pesticide role + + + + + + + + + pyrroloquinoline cofactor - + - - - - - - - - - - - - - - substance with pheromone role + + + + pyruvate family amino acid - + - - - - - - - - - - - - - - substance with phytoalexin role + + + + + + + + + quaternary nitrogen compound - + - - - - - - - - - - - - - - substance with biological pigment role + + + quercetin bissulfate - + - - - - - - - - - - - - - - substance with plant growth regulator role + + + quercetin sulfate - + - - - - - - - - - - - - - - substance with prosthetic group role + + + quercetin trissulfate - + - - true + + + quinate - + - - - - - - - - - - - - - - substance with semiochemical role + + + + + + + + + quinic acid - + - - - - - - - - - - - - - - - - substance with siderophore role + + + dihydroxyquinoline - + - - - - - - - - - - - - - - - substance with synthetic auxin role + + + + quinoline N-oxide - + - - - - - - - - - - - - - - - substance with toxin role + + + quinoline alkaloid - + - - - - - - - - - - - - - - substance with micronutrient role + + + alpha-aminoacyl-tRNA - + - - - - - - - - - - - - - - substance with volatile oil component role + + + + quinolinemonocarboxylic acid - + - - - - - - - - - - - - - - substance with water-soluble vitamin role + + + + quinolines - + - - - - - - - - - - - - - - - substance with detergent role + + + + quinolizidine alkaloid - + - - - - - - - - - - - - - - - substance with vitamin role + + + quinolizidines - + - - - - - - - - - - - - - - substance with application role + + + radical - + - - - - - - - - - - - - - - substance with molecular messenger role + + + reactive oxygen species - + - - - - - - - - - - - - - - substance with antimicrobial agent role + + + + + + + + + + + reticuline - + - - - - - - - - - - - - - - substance with antibacterial agent role + + + + retinals - + - - - - - - - - - - - - - - substance with nutrient role + + + + + + + + + + retinoic acid - + - - - - - - - - - - - - - - substance with agrochemical role + + + retinoid - + - - - - - - - - - - - - - - substance with fertilizer role + + + rhamnogalacturonan - + - - - - - - - - - - - - - - substance with rodenticide role + + + rhamnonate - + - - - - - - - - - - - - - - substance with avicide role + + + rhamnonolactone - + - - - - - - - - - - - - - - substance with food role + + + + + + + + + + + + + + + rhamnose - + - - - - - - - - - - - - - - substance with fuel role + + + rhamnoside - + - - - - - - - - - - - - - - substance with diagnostic agent role + + + rhamnosylglucoside - + - - - - - - - - - - - - - - substance with reagent role + + + ribitol phosphate - + - - - - - - - - - - - - - - substance with macronutrient role + + + + 1-ribosylimidazolecarboxamide - + - - - - - - - - - - - - - - substance with surfactant role + + + ribonucleoside monophosphate - + - - - - - - - - - - - - - - substance with tracer role + + + + ribonucleotide - + - - - - - - - - - - - - - - substance with label role + + + ribose phosphate - + - - - - - - - - - - - - - - substance with plant growth retardant role + + + ribose triphosphate - + - - - - - - - - - - - - - - substance with antimetabolite role + + + ribosylamine - + - - - - - - - - - - - - - - substance with inhibitor role + + + ribulose phosphate - + - - - - - - - - - - - - - - substance with catalyst role + + + + rifamycins - + - - - - - - - - - - - - - - substance with effector role + + + rutinoside - + - - - - - - - - - - - - - - substance with buffer role + + + 1,3,5-triazines - + - - - - - - - - - - - - - - substance with fossil fuel role + + + sabinol - + - - - - - - - - - - - - - - substance with central nervous system stimulant role + + + salicylates - + - - - - - - - - - - - - - - substance with antiinfective agent role + + + salutaridinol - + - - - - - - - - - - - - - - substance with antiparasitic agent role + + + + + + + + + + santonin - + - - - - - - - - - - - - - - substance with anthelminthic drug role + + + + + + + + + saponin - + - - - - - - - - - - - - - - - substance with antinematodal drug role + + + sapogenin - + - - - - - - - - - - - - - - - substance with EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor role + + + saturated fatty acid - + - - - - - - - - - - - - - - substance with antidepressant role + + + scyllo-inositol phosphate - + - - - - - - - - - - - - - - substance with central nervous system drug role + + + seco-androstane - + - - - - - - - - - - - - - - substance with psychotropic drug role + + + + + + + + + selenium molecular entity - + - - - - - - - - - - - - - - - substance with anti-inflammatory drug role + + + selenoamino acid - + - - - - - - - - - - - - - - - substance with tranquilizing drug role + + + + selenocystathionine - + - - - - - - - - - - - - - - substance with anxiolytic drug role + + + selenocysteines - + - - - - - - - - - - - - - - - substance with non-steroidal anti-inflammatory drug role + + + + + + + + + + + + + + + + selenodiglutathione - + - - - - - - - - - - - - - - substance with antipsychotic agent role + + + selenomethionines - + - - - - - - - - - - - - - - - substance with analgesic role + + + selenous acid - + - - - - - - - - - - - - - - substance with non-narcotic analgesic role + + + + aldehydic acid - + - - - - - - - - - - - - - - substance with opioid analgesic role + + + semiochemical - + - - - - - - - - - - - - - - substance with EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor role + + + serine derivative - + - - - - - - - - - - - - - - substance with central nervous system depressant role + + + + serine family amino acid - + - - - - - - - - - - - - - - substance with antipyretic role + + + sesquiterpenoid - + - - - - - - - - - - - - - - substance with diuretic role + + + sesterterpenoid - + - - - - - - - - - - - - - - substance with hallucinogen role + + + short-chain fatty acid - + - - - - - - - - - - - - - - - substance with beta-adrenergic agonist role + + + sialic acid - + - - - - - - - - - - - - - - substance with bronchodilator agent role + + + + + siderophore - + - - - - - - - - - - - - - - substance with sympathomimetic agent role + + + + organosilanediol - + - - - - - - - - - - - - - - substance with hypoglycemic agent role + + + silicic acid - + - - - - - - - - - - - - - - - substance with beta-adrenergic antagonist role + + + + + + + + + silicon molecular entity - + - - - - - - - - - - - - - - substance with EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor role + + + + singlet dioxygen - + - - - - - - - - - - - - - - substance with cardiovascular drug role + + + sn-glycerol 3-phosphates - + - - - - - - - - - - - - - - substance with EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor role + + + glycerol phosphate - + - - - - - - - - - - - - - - substance with antineoplastic agent role + + + + + + + + + sodium atom - + - - - - - - - - - - - - - - substance with flavouring agent role + + + + + + + + + sodium molecular entity - + - - - - - - - - - - - - - - substance with vasodilator agent role + + + + + + + + + + sodium salt - + - - - - - - - - - - - - - - substance with anticonvulsant role + + + glucitol phosphate - + - - - - - - - - - - - - - - substance with EC 3.5.2.6 (beta-lactamase) inhibitor role + + + substituted spermine - + - - - - - - - - - - - - - - substance with adrenergic uptake inhibitor role + + + sphingenine - + - - - - - - - - - - - - - - substance with EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor role + + + + + sphingolipid - + - - - - - - - - - - - - - - substance with antihypertensive agent role + + + + sphing-4-enine - + - - - - - - - - - - - - - - substance with antilipemic drug role + + + + spirostan - + - - - - - - - - - - - - - - substance with antiplatyhelmintic drug role + + + squalene triterpenoid - + - - - - - - - - - - - - - - substance with xenobiotic role + + + + + + + + + + + sterigmatocystins - + - - - - - - - - - - - - - - substance with immunosuppressive agent role + + + + steroid antibiotic - + - - - - - - - - - - - - - - substance with sedative role + + + + steroid glucosiduronic acid - + - - - - - - - - - - - - - - substance with antifungal agent role + + + + + + + + + steroid hormone - + - - - - - - - - - - - - - - substance with coccidiostat role + + + + steroid lactone - + - - - - - - - - - - - - - - - substance with antiprotozoal drug role + + + stigmastane - + - - - - - - - - - - - - - - substance with anticholesteremic drug role + + + + stilbene - + - - - - - - - - - - - - - - substance with antirheumatic drug role + + + + stilbenoid - + - - - - - - - - - - - - - - substance with lipoxygenase inhibitor role + + + + streptomycin phosphate - + - - - - - - - - - - - - - - - substance with neurotransmitter agent role + + + + streptomycins - + - - - - - - - - - - - - - - - substance with antimicrobial drug role + + + + + + + + + + + + + streptothricin - + - - - - - - - - - - - - - - - substance with antiviral drug role + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + amphetamine - + - - - - - - - - - - - - - - - substance with antibacterial drug role + + + + styrenes - + - - - - - - - - - - - - - - substance with oxytocic role + + + succinate - + - - - - - - - - - - - - - - substance with local anaesthetic role + + + + + carbohydrate phosphate - + - - - - - - - - - - - - - - substance with trypanocidal drug role + + + + sulfuric ester - + - - - - - - - - - - - - - - substance with EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor role + + + sulfates - + - - - - - - - - - - - - - - substance with diagnostic imaging agent role + + + sulfide - + - - - - - - - - - - - - - - substance with MRI contrast agent role + + + + sulfobenzoic acid - + - - - - - - - - - - - - - - substance with acid role + + + + dihydroxybenzenesulfonic acid - + - - - - - - - - - - - - - - substance with protease inhibitor role + + + + + sulfoglycolipid - + - - - - - - - - - - - - - - substance with protein kinase inhibitor role + + + sulfonium compound - + - - - - - - - - - - - - - - substance with EC 2.7.11.13 (protein kinase C) inhibitor role + + + + + + + + + + N,N''-sulfonyldiurea - + - - - - - - - - - - - - - - substance with EC 3.1.1.8 (cholinesterase) inhibitor role + + + + + + + + + + sulfur atom - + - - - - - - - - - - - - - - substance with growth hormone role + + + + sulfur-containing amino acid - + - - - - - - - - - - - - - - - substance with plant hormone role + + + + + + + + + sulfur molecular entity - + - - - - - - - - - - - - - - substance with adrenergic agonist role + + + + + + + + + sulfuric acid - + - - - - - - - - - - - - - - substance with adrenergic antagonist role + + + + synthetic auxin - + - - - - - - - - - - - - - - - substance with alpha-adrenergic antagonist role + + + tagaturonic acid - + - - - - - - - - - - - - - - substance with phenothiazine antipsychotic drug role + + + altraric acid - + - - - - - - - - - - - - - - substance with H1-receptor antagonist role + + + + + + + + + tannin - + - - - - - - - - - - - - - - - substance with histamine antagonist role + + + tartaric acid - + - - - - - - - - - - - - - - substance with histaminergic drug role + + + + + + + teasterone - + - - - - - - - - - - - - - - substance with dye role + + + + terpene ketone - + - - - - - - - - - - - - - - substance with adrenergic agent role + + + terpenoid - + - - - - - - - - - - - - - - substance with triazine insecticide role + + + terpenol - + - - - - - - - - - - - - - - substance with antimalarial role + + + + terpenyl phosphate - + - - - - - - - - - - - - - - substance with anti-arrhythmia drug role + + + + terpineol - + - - - - - - - - - - - - - - substance with cardiotonic drug role + + + tertiary alcohol - + - - - - - - - - - - - - - - - substance with phytosiderophore role + + + tetrachlorobenzene - + - - - - - - - - - - - - - - substance with iron chelator role + + + + tetracyclic triterpenoid - + - - - - - - - - - - - - - - substance with chelator role + + + + + + + + + tetracyclines - + - - - - - - - - - - - - - - substance with calcium channel blocker role + + + + tetradecenoyl-CoA - + - - - - - - - - - - - - - - - substance with phytotoxin role + + + benzyltetrahydroisoquinoline - + - - - - - - - - - - - - - - substance with DNA polymerase inhibitor role + + + + tetrahydrocorphin - + - - - - - - - - - - - - - - substance with cholinergic drug role + + + tetrahydrofolic acid - + - - - - - - - - - - - - - - substance with cholinergic agonist role + + + + tetrahydrofolyl glutamate - + - - - - - - - - - - - - - - substance with muscarinic agonist role + + + + + + + + + + + + oxolane - + - - - - - - - - - - - - - - substance with EC 3.1.1.7 (acetylcholinesterase) inhibitor role + + + + oxolanes - + - - - - - - - - - - - - - - substance with electron-transport chain inhibitor role + + + tetrahydromethanopterin - + - - - - - - - - - - - - - - substance with respiratory-chain inhibitor role + + + tetrahydronicotinamide adenine dinucleotide - + - - - - - - - - - - - - - - - substance with mitochondrial NADH:ubiquinone reductase inhibitor role + + + tetrahydropteroyltri-L-glutamate - + - - - - - - - - - - - - - - - substance with EC 1.9.3.1 (cytochrome c oxidase) inhibitor role + + + tetrahydropyridine - + - - - - - - - - - - - - - - - substance with EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor role + + + naphthalenetetrol - + - - - - - - - - - - - - - - substance with membrane transport modulator role + + + + tetrapyrrole - + - - - - - - - - - - - - - - substance with sodium channel blocker role + + + + tetraric acid - + - - - - - - - - - - - - - - substance with tyrosine kinase inhibitor role + + + tetraterpenoid - + - - - - - - - - - - - - - - substance with pediculicide role + + + tetrathionate ion - + - - - - - - - - - - - - - - substance with calcium channel agonist role + + + monoatomic tetracation - + - - - - - - - - - - - - - - substance with calcium channel modulator role + + + tetrose - + - - - - - - - - - - - - - - substance with ryanodine receptor modulator role + + + + + thiamine phosphate - + - - - - - - - - - - - - - - substance with anaesthetic role + + + + + + + + + + thiamine - + - - - - - - - - - - - - - - substance with general anaesthetic role + + + thioacetic acid - + - - - - - - - - - - - - - - substance with inhalation anaesthetic role + + + + thioadenosine - + - - - - - - - - - - - - - - substance with intravenous anaesthetic role + + + + thiocyanates - + - - - - - - - - - - - - - - substance with schistosomicide drug role + + + + thiocarboxylic ester - + - - - - - - - - - - - - - - substance with GABA-gated chloride channel antagonist role + + + thiophenes - + - - - - - - - - - - - - - - substance with sodium channel modulator role + + + thioglycines - + - - - - - - - - - - - - - - - substance with Bronsted acid role + + + + thioribose phosphate - + - - - - - - - - - - - - - - - substance with Bronsted base role + + + + thioribose - + - - - - - - - - - - - - - - - substance with Lewis acid role + + + thiosulfate - + - - - - - - - - - - - - - - - substance with Lewis base role + + + + + organic heterotricyclic compound - + - - - - - - - - - - - - - - substance with growth regulator role + + + + tetritol phosphate - + - - - - - - - - - - - - - - substance with bridged diphenyl acaricide role + + + threitol - + - - - - - - - - - - - - - - - substance with solvent role + + + threonic acid - + - - - - - - - - - - - - - - substance with indicator role + + + + + + + + + + + + + + + threonine - + - - - - - - - - - - - - - - substance with photosensitizing agent role + + + threonine derivative - + - - - - - - - - - - - - - - substance with nicotinic acetylcholine receptor agonist role + + + threoses - + - - - - - - - - - - - - - - substance with protein synthesis inhibitor role + + + thromboxane - + - - - - - - - - - - - - - - substance with antiseptic drug role + + + + thromboxanes B - + - - - - - - - - - - - - - - substance with disinfectant role + + + + + + + + + + + + + + + + + + + + + + + + anandamide - + - - - - - - - - - - - - - - substance with serotonergic drug role + + + thymidine phosphate - + - - - - - - - - - - - - - - substance with serotonergic antagonist role - - + + + + + + + + + + tin atom + + - + - - - - - - - - - - - - - - substance with fragrance role + + + + + + + + + tin molecular entity - + - - - - - - - - - - - - - - substance with polar solvent role + + + + tocopherol - + - - - - - - - - - - - - - - substance with non-polar solvent role + + + toluate - + - - - - - - - - - - - - - - - substance with protic solvent role + + + toluene-4-sulfonate - + - - - - - - - - - - - - - - substance with aprotic solvent role + + + toluenes - + - - - - - - - - - - - - - - - substance with polar aprotic solvent role + + + + toxin - + - - - - - - - - - - - - - - - substance with protophilic solvent role + + + micronutrient - + - - - - - - - - - - - - - - - substance with amphiprotic solvent role + + + (9R,10R)-9,10-dihydrophenanthrene-9,10-diol - + - - - - - - - - - - - - - - substance with antiparkinson drug role + + + transition element atom - + - - - - - - - - - - - - - - substance with angiogenesis inhibitor role + + + trehalose - + - - - - - - - - - - - - - - substance with alpha-adrenergic drug role + + + trehalose mycolate - + - - - - - - - - - - - - - - substance with beta-adrenergic drug role + + + trehalose phosphate - + - - - - - - - - - - - - - - substance with EC 1.1.1.21 (aldehyde reductase) inhibitor role + + + tributylstannane - + - - - - - - - - - - - - - - substance with dopaminergic agent role + + + + tricarboxylic acid trianion - + - - - - - - - - - - - - - - substance with dopaminergic antagonist role + + + tricarboxylic acid - + - - - - - - - - - - - - - - substance with radical scavenger role + + + trichlorobenzene - + - - - - - - - - - - - - - - substance with fibrin modulating drug role + + + + trichlorocatechol - + - - - - - - - - - - - - - - substance with agonist role + + + + + + + + + + + + + + + + + + + + + + androst-5-ene-3beta,17beta-diol - + - - - - - - - - - - - - - - substance with antagonist role + + + trichlorophenol - + - - - - - - - - - - - - - - substance with cholinergic antagonist role + + + + tridecadienoic acid - + - - - - - - - - - - - - - - substance with muscarinic antagonist role + + + trihydroxy-5beta-cholanic acid - + - - - - - - - - - - - - - - substance with nicotinic antagonist role + + + trihydroxybenzoic acid - + - - - - - - - - - - - - - - - substance with hormone antagonist role + + + trihydroxyflavone - + - - - - - - - - - - - - - - substance with prostaglandin antagonist role + + + naphthalenetriol - + - - - - - - - - - - - - - - substance with drug metabolite role + + + trihydroxytoluene - + - - - - - - - - - - - - - - substance with peripheral nervous system drug role + + + triihydroxypyridine - + - - - - - - - - - - - - - - - substance with anti-asthmatic drug role + + + trimethoxyflavone - + - - - - - - - - - - - - - - substance with anti-ulcer drug role + + + trimethylxanthine - + - - - - - - - - - - - - - - substance with contraceptive drug role + + + trinitrotoluene - + - - - - - - - - - - - - - - substance with excitatory amino acid agonist role + + + triol - + - - - - - - - - - - - - - - substance with sex hormone role + + + triose - + - - - - - - - - - - - - - - substance with androgen role + + + trisaccharide - + - - - - - - - - - - - - - - substance with estrogen role + + + + monoatomic trication - + - - - - - - - - - - - - - - substance with bronchoconstrictor agent role + + + + + + + + + anethole - + - - - - - - - - - - - - - - substance with keratolytic drug role + + + tryptamines - + - - - - - - - - - - - - - - substance with dermatologic drug role + + + tryptophan derivative - + - - - - - - - - - - - - - - substance with P450 inhibitor role + + + + organic heterobicyclic compound - + - - - - - - - - - - - - - - substance with provitamin role + + + + + + + + + + + + + typhasterol - + - - - - - - - - - - - - - - substance with EC 3.1.4.* (phosphoric diester hydrolase) inhibitor role + + + + tyramines - + - - - - - - - - - - - - - - substance with antidote role + + + + + L-tyrosine derivative - + - - - - - - - - - - - - - - substance with hematologic agent role + + + + + + + + + Ile(5)-angiotensin II - + - - - - - - - - - - - - - - substance with anticoagulant role + + + undecaprenols - + - - - - - - - - - - - - - - - substance with prodrug role + + + undecaprenyl phosphate - + - - - - - - - - - - - - - - substance with protective agent role + + + + undecaprenyldiphospho-N-acetylmuramoyl peptide - + - - - - - - - - - - - - - - - substance with GABA modulator role + + + univalent carboacyl group - + - - - - - - - - - - - - - - substance with EC 5.99.1.2 (DNA topoisomerase) inhibitor role + + + unsaturated fatty acid - + - - - - - - - - - - - - - - substance with parasympatholytic role + + + + urate(2-) - + - - - - - - - - - - - - - - substance with EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor role + + + + + + + + + uric acid - + - - - - - - - - - - - - - - substance with probe role + + + uridine 5'-phosphate - + - - - - - - - - - - - - - - substance with visual indicator role + + + uridine phosphate - + - - - - - - - - - - - - - - substance with colour indicator role + + + uridines - + - - - - - - - - - - - - - - substance with one-colour indicator role + + + + + + + + + urocanate - + - - - - - - - - - - - - - - substance with platelet aggregation inhibitor role + + + + + + + + + + + + + + + + urocanic acid - + - - - - - - - - - - - - - - substance with EC 2.5.1.15 (dihydropteroate synthase) inhibitor role + + + + + uronic acid - + - - - - - - - - - - - - - - substance with laxative role + + + + uroporphyrinogen - + - - - - - - - - - - - - - - substance with sweetening agent role + + + + + + + + + + + + + + + + + + + + + + valine - + - - - - - - - - - - - - - - substance with potassium channel blocker role + + + valine derivative - + - - - - - - - - - - - - - - substance with potassium channel modulator role + + + + vanadic acid - + - - - - - - - - - - - - - - substance with mydriatic agent role + + + + + + + + + vanadium molecular entity - + - - - - - - - - - - - - - - substance with vasoconstrictor agent role + + + very long-chain fatty acid - + - - - - - - - - - - - - - - substance with protein denaturant role + + + vinca alkaloid - + - - - - - - - - - - - - - - substance with nitric oxide donor role + + + + + + + + + violaxanthin - + - - - - - - - - - - - - - - substance with cyclooxygenase 2 inhibitor role + + + + + + + + + vitamin D - + - - - - - - - - - - - - - - substance with cyclooxygenase 1 inhibitor role + + + + + + + + + vitamin B6 - + - - - - - - - - - - - - - - substance with bone density conservation agent role + + + volatile oil component - + - - - - - - - - - - - - - - substance with antithyroid drug role + + + water-soluble vitamin - + - - - - - - - - - - - - - - - substance with EC 1.5.1.3 (dihydrofolate reductase) inhibitor role + + + + xanthommatins - + - - - - - - - - - - - - - - substance with cross-linking reagent role + + + xanthophyll - + - - - - - - - - - - - - - - substance with reproductive control drug role + + + xanthosine phosphate - + - - - - - - - - - - - - - - substance with abortifacient role + + + + xylene - + - - - - - - - - - - - - - - substance with nutraceutical role + + + xylitol phosphate - + - - - - - - - - - - - - - - substance with progestogen role + + + xylogalacturonan - + - - - - - - - - - - - - - - substance with antipsoriatic role + + + xylonate - + - - - - - - - - - - - - - - substance with EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor role + + + xylonates - + - - - - - - - - - - - - - - substance with appetite enhancer role + + + xylonolactone - + - - - - - - - - - - - - - - substance with appetite regulator role + + + xylose phosphate - + - - - - - - - - - - - - - - substance with EC 1.14.14.14 (aromatase) inhibitor role + + + xyloside - + - - - - - - - - - - - - - - - substance with immunomodulator role + + + xylosylgalactoside - + - - - - - - - - - - - - - - - substance with immunological adjuvant role + + + xylulose - + - - - - - - - - - - - - - - substance with antiatherogenic agent role + + + + + + + + + xylulose 5-phosphate - + - - - - - - - - - - - - - - substance with anti-allergic agent role + + + + xylulose phosphate - + - - - - - - - - - - - - - - substance with genotoxin role + + + zeta-carotene - + - - - - - - - - - - - - - - substance with 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3'-hydroxyflavonoid - + - - - - - - - - - - - - - - substance with prohormone role + + + + + + + + + + + + + + + + + gibberellin A20 - + - - - - - - - - - - - - - - substance with adenosine receptor antagonist role + + + + + + + + + + + + + + + + + + + + + + glyphosate - + - - - - - - - - - - - - - - substance with EC 2.* (transferase) inhibitor role + + + + + + + + + D-ribosylnicotinic acid - + - - - - - - - - - - - - - - substance with autoinducer role + + + + + + + + + + + + + + + + + + + + + + + + + + + + + ethyl acetate - + - - - - - - - - - - - - - - substance with EC 2.3.1.85 (fatty acid synthase) inhibitor role + + + + + + + + + + + + + + + methacrylyl-CoA - + - - - - - - - - - - - - - - substance with virulence factor role + + + 4-chlorobiphenyl - + - - - - - - - - - - - - - - substance with aryl hydrocarbon receptor agonist role + + + L-selenocystathionine - + - - - - - - - - - - - - - - substance with EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor role + + + 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EC 6.* (ligase) inhibitor role + + + alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer - + - - - - - - - - - - - - - - substance with EC 6.4.* (C-C bond-forming ligase) inhibitor role + + + + + + + + + + + + clavaldehyde - + - - - - - - - - - - - - - - substance with eukaryotic metabolite role + + + + + + + + + prostaglandin A2 - + - - - - - - - - - - - - - - substance with animal metabolite role + + + + + + + + + + (S)-methylmalonaldehydic acid - + - - - - - - - - - - - - - - substance with mammalian metabolite role + + + + + + + + + 2-aminobenzimidazole - + - - - - - - - - - - - - - - - substance with B vitamin role + + + + + + + + + + + + + + + + + + + + + (5-hydroxyindol-3-yl)acetic acid - + - - - - - - - - - - - - - - substance with mouse metabolite role + + + + + + + + + + 3',5-dihydroxy-3,4',7-trimethoxyflavone - + - - - - - - - - - - - - - - substance with Saccharomyces cerevisiae metabolite role + + + + + + (S)-4-hydroxymandelonitrile beta-D-glucoside - + - - - - - - - - - - - - - - substance with prokaryotic metabolite role + + + + + + + + + + + + + + + + paraoxon - + - - - - - - - - - - - - - - substance with xenobiotic metabolite role + + + + + + + + + + dodecanal - + - - - - - - - - - - - - - - substance with greenhouse gas role + + + + + + + + + + + + + + + + + + + + + cyanidin cation - + - - - - - - - - - - - - - - substance with propellant role + + + + + + + + + 2',3'-cyclic AMP - + - - - - - - - - - - - - - - substance with marine metabolite role + + + + + + + + + + + + + + + + + + + + + + + 3-iodo-L-tyrosine - + - - - - - - - - - - - - - - substance with nephroprotective agent role + + + alpha-L-rhamnoside - + - - - - - - - - - - - - - - - substance with EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor role + + + + toluene-4-sulfonic acid - + - - - - - - - - - - - - - - substance with EC 2.1.* (C1-transferase) inhibitor role + + + + + + + + + + + + + + + + + + + + + + 3,4-dihydroxymandelaldehyde 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- - - - - - - - - - - - - - substance with EC 4.* (lyase) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + + + + + 3-oxolauroyl-CoA - + - - - - - - - - - - - - - - substance with EC 4.1.* (C-C lyase) inhibitor role + + + + + + + + + + + + + + + + chloroacetic acid - + - - - - - - - - - - - - - - substance with EC 4.2.* (C-O lyase) inhibitor role + + + chloroacetaldehyde - + - - - - - - - - - - - - - - substance with EC 4.3.* (C-N lyase) inhibitor role + + + N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine - + - - - - - - - - - - - - - - substance with EC 1.* (oxidoreductase) inhibitor role + + + + + + + + + 6-methylpretetramide - + - - - - - - - - - - - - - - substance with EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + resveratrol - + - - - - - - - - - - - - - - substance with EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor role + + + D-fructofuranose 2-phosphate - + - - - - - - - - - - - - - - substance with EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor role + + + + + 6-phospho-beta-D-galactoside - + - - - - - - - - - - - - - - substance with EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor role + + + chlorophyll b - + - - - - - - - - - - - - - - substance with EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor role + + + + + + + + + + + + + + + + S-sulfo-L-cysteine - + - - - - - - - - - - - - - - substance with EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor role + + + 2-chloro-cis,cis-muconic acid - + - - - - - - - - - - - - - - substance with EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor role + + + + + + + + + + + + + + + + + tryptophan - + - - - - - - - - - - - - - - substance with EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor role + + + + cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) - + - - - - - - - - - - - - - - substance with EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + cisplatin - + - - - - - - - - - - - - - - substance with EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + tetracycline - + - - - - - - - - - - - - - - substance with EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor role + + + + + + + + + + + + + + + + (2,4,5-trichlorophenoxy)acetic acid - + - - - - - - - - - - - - - - substance with EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor role + + + + + + + + + D-erythrose - + - - - - - - - - - - - - - - substance with EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor role + + + + + + + + + + + + + + + ubiquinone-0 - + - - - - - - - - - - - - - - substance with EC 3.* (hydrolase) inhibitor role + + + + + + + + + alpha-L-rhamnopyranose - + - - - - - - - - - - - - - - substance with EC 3.1.* (ester hydrolase) inhibitor role + + + + + + + + + + + + + + + 7-dehydrodesmosterol - + - - - - - - - - - - - - - - substance with EC 3.2.* (glycosylase) inhibitor role + + + + + + + + + + + + + + + N(8)-acetylspermidine - + - - - - - - - - - - - - - - substance with EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor role + + + + + + + + + L-erythrulose - + - - - - - - - - - - - - - - substance with EC 3.1.1.* (carboxylic ester hydrolase) inhibitor role + + + hydrogenobyrinic acid a,c-diamide - + - - - - - - - - - - - - - - substance with EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor role + + + + + + + + + melamine - + - - - - - - - - - - - - - - substance with EC 3.4.21.26 (prolyl oligopeptidase) inhibitor role + + + + + + + + + sorbose - + - - - - - - - - - - - - - - substance with EC 3.4.15.* (peptidyl-dipeptidase) inhibitor role + + + beta-D-xyloside - + - - - - - - - - - - - - - - substance with EC 3.4.11.* (aminopeptidase) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + parathion - + - - - - - - - - - - - - - - substance with EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor role + + + + + + + + + alpha-maltotriose - + - - - - - - - - - - - - - - substance with EC 2.4.2.* (pentosyltransferase) inhibitor role + + + + beta-lactam antibiotic - + - - - - - - - - - - - - - - substance with EC 3.4.22.* (cysteine endopeptidase) inhibitor role + + + cob(II)yrinic acid a,c diamide - + - - - - - - - - - - - - - - substance with EC 2.5.1.18 (glutathione transferase) inhibitor role + + + + + + + + + + beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer - + - - - - - - - - - - - - - - substance with EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor role + + + + pullulan - + - - - - - - - - - - - - - - substance with EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor role + + + + + + + + + + D-histidine - + - - - - - - - - - - - - - - substance with EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor role + + + dTDP-alpha-D-desosamine - + - - - - - - - - - - - - - - - substance with EC 2.7.11.* (protein-serine/threonine kinase) inhibitor role + + + + + + + + + + + + + + + + + (E)-sinapaldehyde - + - - - - - - - - - - - - - - substance with EC 2.7.7.* (nucleotidyltransferase) inhibitor role + + + + + + + + + + + + + + + + + + + + (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid - + - - - - - - - - - - - - - - substance with EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor role + + + streptamine - + - - - - - - - - - - - - - - - substance with EC 2.7.10.* (protein-tyrosine kinase) inhibitor role + + + + + + + + + + + + + + + + + + + + + L-dehydroascorbic acid - + - - - - - - - - - - - - - - substance with EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + + hydroxyacetone - + - - - - - - - - - - - - - - substance with EC 6.4.1.* (carboxylase) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + cocaine - + - - - - - - - - - - - - - - substance with EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor role + + + + + + + + + 1,8-cineole - + - - - - - - - - - - - - - - substance with EC 5.99.1.* (miscellaneous isomerase) inhibitor role + + + + + pent-2-enoyl-CoA - + - - - - - - - - - - - - - - substance with EC 4.3.1.* (ammonia-lyase) inhibitor role + + + + + + + + + + + (Kdo)2-lipid A (E. coli) - + - - - - - - - - - - - - - - substance with EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor role + + + + 5-methyldeoxycytidine 5'-(trihydrogen diphosphate) - + - - - - - - - - - - - - - - substance with EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor role + + + + + + + + + + + + + + + + + + 11beta-hydroxyandrost-4-ene-3,17-dione - + - - - - - - - - - - - - - - substance with EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor role + + + + + + + + + mesaconyl-CoA - + - - - - - - - - - - - - - - substance with EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor role + + + D-arabino-hex-3-ulose 6-phosphate - + - - - - - - - - - - - - - - substance with EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + + + + + + + estriol - + - - - - - - - - - - - - - - substance with EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor role + + + L-glyceraldehyde - + - - - - - - - - - - - - - - substance with EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor role + + + + + + + + + + prop-2-ynal - + - - - - - - - - - - - - - - substance with EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor role + + + erythronolide B - + - - - - - - - - - - - - - - substance with EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor role + + + + + + + + + + + + + + + + + + + + + + + 3,4-dihydroxyphenylacetaldehyde - + - - - - - - - - - - - - - - substance with EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor role + + + + + + + + + + all-cis-icosa-8,11,14-trienoyl-CoA - + - - - - - - - - - - - - - - substance with EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor role + + + + + + + + + + nitrosobenzene - + - - - - - - - - - - - - - - substance with EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor role + + + cis-dodec-3-enoyl-CoA - + - - - - - - - - - - - - - - substance with EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor role + + + + benzonitrile - + - - - - - - - - - - - - - - substance with EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor role + + + 1,2-di-O-sinapoyl-beta-D-glucose - + - - - - - - - - - - - - - - substance with EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor role + + + + + + + + + + + + + + + + + + luteolin 7-O-beta-D-glucoside - + - - - - - - - - - - - - - - substance with EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor role + + + + 3-methylbenzyl alcohol - + - - - - - - - - - - - - - - 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alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol + + + + + + + + + + + (11Z)-3-oxoicosa-11-enoyl-CoA + + + + + + + + + beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol + + + + + + + + + alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol + + + + + + + + + alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol + + + + + + + + + 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion + + + + + + + + + 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine + + + + + + + + + GDP-4-amino-4,6-dideoxy-alpha-D-mannose + + + + + + + + + GDP-N-acetyl-alpha-D-perosamine + + + + + + + + + + CDP-2,3-bis-(O-phytanyl)-sn-glycerol + + + + + + + + + (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA(4-) + + + + + + + + + + erucoyl-CoA(4-) + + + + + + + + + + + (11Z)-eicosenoyl-CoA(4-) + + + + + + + + + + (13Z)-3-oxodocosenoyl-CoA(4-) + + + + + + + + + + (15Z)-3-oxotetracosenoyl-CoA(4-) + + + + + + + + + + 1-archaetidyl-1D-myo-inositol 3-phosphate + + + + + + + + + + + (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA(4-) + + + + + + + + + (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4-) + + + + + + + + + + (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4-) + + + + + + + + + + + (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4-) + + + + + + + + + 3-O-phospho-[2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->]n-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol + + + + + + + + + + polyprenyl phospho polysaccharide + + + + + + + + + 3-O-methylphospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol + + + + + + + + + alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol + + + + + + + + + + + + + + + N-[(9Z)-octadecenoyl]sphinganine + + + + + + + + + + aldono-1,5-lactone + + + + + + + + + + + erucoyl-CoA + + + + + + + + + + + (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA + + + + + + + + + + + (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA + + + + + + + + + 2-hydroxypalmitoyl-CoA(4-) + + + + + + + + + 2-hydroxystearoyl-CoA(4-) + + + + + + + + + + 2-hydroxybehenoyl-CoA(4-) + + + + + + + + + + 2-hydroxytetracosanoyl-CoA(4-) + + + + + + + + + (3S)-3-methyl-2-oxo-3-phenylpropanoate + + + + + + + + + + + + + + + Gly-Met + + + + + + + + + (3S)-3-methyl-2-oxo-3-phenylpropanoic acid + + + + + + + + + + + (11Z)-eicosenoyl-CoA + + + + + + + + + + + + (13Z)-3-oxodocosenoyl-CoA + + + + + + + + + + (15Z)-tetracosenoyl-CoA(4-) + + + + + + + + + + + + + + + + N-[(15Z)-tetracosenoyl]sphinganine + + + + + + + + + + + + + + + N-[(17Z)-hexacosenoyl]sphinganine + + + + + + + + + + + (15Z)-3-oxotetracosenoyl-CoA + + + + + + + + + (17Z)-hexacosenoyl-CoA(4-) + + + + + + + + + + + 2-hydroxyhexadecanoyl-CoA + + + + + + + + + + + 2-hydroxystearoyl-CoA + + + + + + + + + + 2-hydroxytetracosanoyl-CoA + + + + + + + + + + + montanoyl-CoA(4-) + + + + + + + + + + (15Z)-tetracosenoyl-CoA + + + + + + + + + dTDP-6-deoxy-alpha-D-allose(2-) + + + + + + + + + C24:1-CoA(4-) + + + + + + + + + + + 2-hydroxybehenoyl-CoA + + + + + + + + + + (17Z)-hexacosenoyl-CoA + + + + + + + + + montanoyl-CoA + + + + + + + + + S-palmitoyl-L-cysteine residue + + + + + + + + + dTDP-5,5-di-C-methyl-beta-L-lyxose(2-) + + + + + + + + + + + + + + + ethylmalonic acid + + + + + + + + + 3-dimethylallyl-4-hydroxybenzoate + + + + + + + + + 3-amino-4,7-dihydroxycoumarin(1-) + + + + + + + + + O-ureido-D-serine zwitterion + + + + + + + + + D-cycloserine zwitterion + + + + + + + + + + C24:1-sphinganine + + + + + + + + + C26:1-CoA(4-) + + + + + + + + + C26:1-sphinganine + + + + + + + + + + nitrocyclohexane + + + + + + + + + (E)-1,3-pentadiene + + + + + + + + + C17 sphingosine(1+) + + + + + + + + + + N-tetracosanoyl-C17-sphingosine + + + + + + + + + + + + + + + + D-ribono-1,4-lactone + + + + + + + + + + L-alaninamide(1+) + + + + + + + + + N-tetracosenoyl-C17-sphingosine + + + + + + + + + + + + + + + + + O-ureido-D-serine + + + + + + + + + EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor + + + + + + + + + N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) + + + + + + + + + 2-hydroxytetracosenoyl-CoA(4-) + + + + + + + + + N-(2-hydroxytetracosenoyl)sphinganine + + + + + + + + + N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol + + + + + + + + + + C17 sphingosine + + + + + + + + + gamma-lactam + + + + + + + + + + pyrrolidin-2-ones + + + + + + + + + genistein(1-) + + + + + + + + + + + 3-oxomelissoyl-CoA(4-) + + + 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(17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4-) + + + + + + + + + FMN-L-threonine(2-) residue + + + + + + + + + + + (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA(4-) + + + + + + + + + + + (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA(4-) + + + + + + + + + + + (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA(4-) + + + + + + + + + + + (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA(4-) + + + + + + + + + + + (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4-) + + + + + + + + + + + (8Z,11Z,14Z)-icosatrienoyl-CoA(4-) + + + + + + + + + + + (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4-) + + + + + + + + + N-acylurea + + + + + + + + + N(1)-methylguanosine 5'-monophosphate residue + + + + + + + + + N(1)-methylguanosine 5'-monophosphate + + + + + + + + + guanosine 5'-monophosphate(1-) residue + + + + + + + + + 4-demethylwyosine 5'-monophosphate residue + + + + + + + + + + (R)-3-hydroxydecanoyl-CoA(4-) + + + + + + + + + 4-demethylwyosine 5'-monophosphate + + + + + + + + + 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1-acyl-2-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-sn-glycero-3-phospho-D-myo-inositol(1-) + + + + + + + + + D-asparagine zwitterion + + + + + + + + + D-valine zwitterion + + + + + + + + + (6Z)-hexadecenoyl-CoA(4-) + + + + + + + + + 1-heptadecanoyl-sn-glycero-3-phosphocholine + + + + + + + + + + + + + + + 1-arachidonoyl-sn-glycero-3-phosphocholine + + + + + + + + + + 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea + + + + + + + + + FMN-L-threonine residue + + + + + + + + + + + FMN-L-threonine + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + aclacinomycin T + + + + + + + + + aclacinomycin A(1+) + + + + + + + + + 15-demethylaclacinomycin T zwitterion + + + + + + + + + + 3-oxomelissoyl-CoA + + + + + + + + + + (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-CoA + + + + + + + + + L-alpha-aminobutyrate zwitterion + + + + + + + + + + + (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoyl-CoA + + + + + + + + + + 5-oxo-delta-bilirubin(2-) + + + + + + + + + + 15-oxo-beta-bilirubin(2-) + + + + 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